data_2mfz_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 2mfz _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 18.8 m . . . . . 0 N--CA 1.445 -0.694 0 CA-C-O 120.893 0.377 . . . . 0.0 110.977 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -147.15 125.78 12.53 Favored 'General case' 0 N--CA 1.447 -0.582 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.787 178.072 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.424 ' HB1' ' HA3' ' B' ' 120' ' ' GLY . . . -86.21 -16.84 36.46 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 111.99 0.367 . . . . 0.0 111.99 -175.881 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.58 -30.6 78.35 Favored Glycine 0 CA--C 1.511 -0.17 0 C-N-CA 120.597 -0.811 . . . . 0.0 111.533 -178.299 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.454 ' HB2' ' HB2' ' A' ' 78' ' ' GLN . . . -67.89 -16.88 64.29 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 114.942 -0.629 . . . . 0.0 110.949 176.44 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.512 HG21 ' CD1' ' A' ' 81' ' ' LEU . 2.9 t -95.44 -41.66 11.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.868 -175.432 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 31.7 m-80 -68.25 -20.06 64.77 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.278 -0.569 . . . . 0.0 110.526 -178.345 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 65.9 ttt180 -77.25 -5.62 50.02 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.095 179.68 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.415 HD13 ' HG2' ' B' ' 112' ' ' GLN . 72.9 mt -76.38 -27.71 56.48 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.211 -178.871 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 43.3 p -81.18 9.27 7.13 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.56 0.695 . . . . 0.0 110.207 178.558 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 44.2 t -97.46 152.75 18.66 Favored 'General case' 0 N--CA 1.444 -0.753 0 CA-C-N 115.012 -0.995 . . . . 0.0 109.227 177.527 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.32 -18.35 61.17 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.05 0.452 . . . . 0.0 111.381 -177.195 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -54.3 -58.09 8.73 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.663 178.547 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.605 ' O ' HG23 ' A' ' 39' ' ' VAL . . . -59.95 -51.98 67.34 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.478 177.735 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -51.26 -34.03 30.89 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.971 -0.558 . . . . 0.0 111.925 -176.174 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 50.2 m -72.69 -24.62 61.04 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.96 -178.36 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.489 ' HD2' ' OE1' ' A' ' 82' ' ' GLU . 73.3 mtt180 -98.2 -45.12 6.32 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.799 0.809 . . . . 0.0 109.437 -176.483 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.605 HG23 ' O ' ' A' ' 35' ' ' ALA . 42.0 t -61.97 -43.47 97.61 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.851 0 CA-C-N 114.293 -1.321 . . . . 0.0 111.278 -176.477 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.455 ' O ' HG12 ' A' ' 43' ' ' ILE . 96.6 p -75.16 -11.26 60.04 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.012 0.434 . . . . 0.0 111.07 -178.167 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 35.8 t -87.5 -17.64 31.66 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.069 0.461 . . . . 0.0 110.082 -179.727 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 41.8 m-80 -114.43 -1.63 13.43 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.29 -174.14 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.459 HG13 ' N ' ' A' ' 44' ' ' ALA . 4.2 pt -57.92 -41.31 79.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.931 176.526 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.459 ' N ' HG13 ' A' ' 43' ' ' ILE . . . -78.01 -11.79 59.93 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.993 -176.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -84.47 -53.1 5.66 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.226 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 50.2 mt -64.48 -33.78 65.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.34 179.517 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.84 -24.65 67.89 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.493 179.642 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 33.1 t -95.08 -42.66 8.49 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.263 -177.446 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -88.91 -22.73 37.8 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.488 -0.863 . . . . 0.0 113.205 -175.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 73.43 -77.14 0.91 Allowed Glycine 0 N--CA 1.449 -0.469 0 N-CA-C 111.522 -0.631 . . . . 0.0 111.522 -178.113 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -119.97 -20.28 7.55 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-O 121.258 0.552 . . . . 0.0 110.065 178.395 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 12.8 m -74.19 -11.23 60.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.767 -178.298 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -93.44 -15.65 25.38 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.777 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.434 ' N ' ' HD2' ' A' ' 55' ' ' PRO . 54.1 mt -55.52 -57.11 22.66 Favored Pre-proline 0 CA--C 1.535 0.376 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.969 -176.768 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.434 ' HD2' ' N ' ' A' ' 54' ' ' LEU . 17.9 Cg_endo -61.42 -20.34 68.02 Favored 'Trans proline' 0 C--N 1.352 0.733 0 C-N-CA 122.253 1.969 . . . . 0.0 112.484 -177.262 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 15.1 m -89.28 -43.94 10.6 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.96 0.41 . . . . 0.0 110.781 179.628 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 76.7 t -76.58 -39.75 32.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.545 -172.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.432 HG12 ' HG ' ' A' ' 83' ' ' LEU . 57.3 mt -60.27 -36.54 69.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.098 176.362 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 37.8 t -68.87 -39.6 79.75 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 116.136 -0.484 . . . . 0.0 109.94 179.651 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -60.8 -47.69 85.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.655 178.64 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 63.0 mt -74.54 -45.98 43.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 115.659 -0.7 . . . . 0.0 111.752 -175.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.406 ' O ' HG22 ' A' ' 66' ' ' VAL . 61.7 t80 -54.54 -50.74 67.18 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.657 -0.247 . . . . 0.0 111.308 -177.392 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 32.9 t -60.56 -31.38 70.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.941 0.401 . . . . 0.0 110.456 179.69 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -69.04 -38.72 84.45 Favored Glycine 0 N--CA 1.448 -0.544 0 C-N-CA 120.757 -0.735 . . . . 0.0 111.587 -179.471 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.487 HG11 HG12 ' A' ' 70' ' ' VAL . 48.7 t -72.43 -46.0 57.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 120.892 0.377 . . . . 0.0 110.94 179.301 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.406 HG22 ' O ' ' A' ' 62' ' ' TYR . 59.0 t -62.24 -30.72 49.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.898 -178.76 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.01 -19.32 62.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.956 -0.565 . . . . 0.0 112.017 179.284 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 22.9 m -75.79 -21.67 57.15 Favored 'General case' 0 N--CA 1.445 -0.691 0 CA-C-O 120.936 0.398 . . . . 0.0 111.237 178.727 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 93.0 42.34 4.4 Favored Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 120.628 -0.796 . . . . 0.0 111.721 -175.756 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.487 HG12 HG11 ' A' ' 65' ' ' VAL . 9.8 p -100.02 157.9 3.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 179.065 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 42.0 t -57.81 140.59 51.36 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 110.309 -0.256 . . . . 0.0 110.309 176.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 4.4 m -53.46 -44.83 69.24 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.964 0.412 . . . . 0.0 111.845 -176.086 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -76.47 -32.93 58.67 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.717 -174.561 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -75.21 -30.28 60.56 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.045 0.45 . . . . 0.0 109.859 177.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.76 -39.7 92.53 Favored 'General case' 0 CA--C 1.519 -0.247 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.61 175.173 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.44 ' O ' HD21 ' A' ' 80' ' ' LEU . 2.9 tm? -54.24 -49.3 69.79 Favored 'General case' 0 CA--C 1.517 -0.301 0 CA-C-N 115.802 -0.636 . . . . 0.0 109.494 177.094 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.67 ' O ' ' HG ' ' A' ' 81' ' ' LEU . 41.6 mm -62.3 -55.13 25.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 115.51 -0.768 . . . . 0.0 111.227 -177.669 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . 0.454 ' HB2' ' HB2' ' A' ' 26' ' ' ALA . 53.5 tt0 -56.22 -50.13 72.14 Favored 'General case' 0 CA--C 1.52 -0.188 0 CA-C-O 120.885 0.374 . . . . 0.0 110.858 -178.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.11 -40.1 88.53 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.58 -0.736 . . . . 0.0 111.124 -178.279 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.672 ' O ' ' HG ' ' A' ' 84' ' ' LEU . 3.3 mm? -65.1 -43.35 92.36 Favored 'General case' 0 C--O 1.221 -0.398 0 CA-C-N 116.635 -0.257 . . . . 0.0 110.594 175.455 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.67 ' HG ' ' O ' ' A' ' 77' ' ' ILE . 45.2 mt -65.72 -40.04 91.79 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.519 0.199 . . . . 0.0 111.329 -178.094 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.489 ' OE1' ' HD2' ' A' ' 38' ' ' ARG . 51.3 mt-10 -61.68 -40.23 94.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.215 0.531 . . . . 0.0 109.751 172.827 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.432 ' HG ' HG12 ' A' ' 58' ' ' ILE . 3.4 tm? -62.31 -43.56 98.53 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.393 177.501 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.672 ' HG ' ' O ' ' A' ' 80' ' ' LEU . 13.3 mt -63.53 -16.16 59.98 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.274 -177.19 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 36.3 m -92.74 -29.62 15.94 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 120.836 0.351 . . . . 0.0 111.234 -173.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -69.27 -43.37 74.02 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.322 0.582 . . . . 0.0 110.659 -177.441 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.436 HD13 ' N ' ' A' ' 88' ' ' VAL . 1.3 pp -82.39 -16.55 48.67 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.464 -0.789 . . . . 0.0 112.948 -172.107 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.436 ' N ' HD13 ' A' ' 87' ' ' LEU . 15.8 m -91.02 -23.61 5.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 C-N-CA 120.094 -0.642 . . . . 0.0 110.485 177.756 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 60.1 t60 -72.53 -35.61 68.1 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.106 178.383 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 33.2 m -65.74 -27.13 40.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.208 -176.346 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.436 ' HA ' ' HB1' ' A' ' 94' ' ' ALA . 3.0 mm? -65.92 -22.84 66.52 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.651 0.262 . . . . 0.0 111.523 -179.498 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 27.0 t -63.98 -30.19 71.28 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.3 0.571 . . . . 0.0 110.354 179.472 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 23.8 m -106.1 -25.84 11.86 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.079 -179.376 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . 0.436 ' HB1' ' HA ' ' A' ' 91' ' ' LEU . . . -72.47 100.24 2.67 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.45 -0.795 . . . . 0.0 111.149 -179.658 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 5.2 p -71.76 89.29 1.03 Allowed 'General case' 0 N--CA 1.424 -1.751 0 CA-C-N 115.196 -0.911 . . . . 0.0 110.155 176.292 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.436 HD12 ' HB3' ' B' ' 47' ' ' ALA . 19.4 tt -70.42 142.78 15.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-O 120.918 0.389 . . . . 0.0 111.43 -177.51 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -92.21 -104.28 1.5 Allowed Glycine 0 N--CA 1.446 -0.652 0 C-N-CA 120.805 -0.712 . . . . 0.0 111.891 177.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -129.3 117.29 20.43 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.944 0.402 . . . . 0.0 110.532 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 6.2 m -97.32 137.45 24.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.989 178.542 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 12.8 m -93.44 152.82 18.85 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.169 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 14.9 m -86.72 28.58 0.87 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.979 0.419 . . . . 0.0 110.839 -179.58 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 7.2 p -127.86 137.66 56.94 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.484 0 CA-C-O 121.05 0.452 . . . . 0.0 110.256 -176.328 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 98.98 -8.59 61.22 Favored Glycine 0 N--CA 1.449 -0.497 0 CA-C-N 115.756 -0.656 . . . . 0.0 112.253 179.107 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.403 ' O ' HD12 ' A' ' 108' ' ' LEU . 24.9 t -57.0 -37.26 53.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 175.679 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -51.76 -45.37 63.7 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.159 -0.928 . . . . 0.0 110.476 176.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 14.7 m -73.84 -37.56 64.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.439 -0.8 . . . . 0.0 111.118 -177.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 24.0 m -60.95 -38.58 86.35 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-O 121.171 0.51 . . . . 0.0 110.176 178.618 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.586 ' O ' ' HG3' ' A' ' 112' ' ' GLN . 3.6 mt -58.45 -33.38 69.67 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.472 -0.785 . . . . 0.0 111.316 177.288 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . 0.422 ' N ' HD21 ' A' ' 109' ' ' ASN . 0.9 OUTLIER -67.1 -24.32 65.93 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.913 0.387 . . . . 0.0 110.633 179.754 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 38.2 t -85.51 -39.86 14.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.98 -177.039 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.575 HG11 ' O ' ' A' ' 108' ' ' LEU . 9.0 p -61.6 -29.03 45.26 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.304 0 CA-C-O 121.383 0.611 . . . . 0.0 110.195 -178.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . 0.586 ' HG3' ' O ' ' A' ' 108' ' ' LEU . 24.7 mt-30 -66.62 -24.67 66.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.386 -0.824 . . . . 0.0 111.099 -179.511 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -79.27 -37.72 37.19 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.379 -176.048 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 4.3 m -75.8 -45.69 34.7 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.169 -0.923 . . . . 0.0 112.155 -171.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . 0.424 HG13 HD22 ' B' ' 81' ' ' LEU . 11.6 p -109.63 -18.44 7.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-O 120.906 0.384 . . . . 0.0 111.68 -172.81 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -60.31 -26.89 64.62 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 121.024 -0.607 . . . . 0.0 112.553 -178.432 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.1 -3.49 58.12 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 111.456 0.169 . . . . 0.0 111.456 -179.285 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 67.7 m-85 -106.68 -32.4 8.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.951 0.405 . . . . 0.0 110.282 178.161 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 32.8 m . . . . . 0 C--N 1.326 -0.416 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.462 176.655 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 10.6 m . . . . . 0 N--CA 1.444 -0.774 0 N-CA-C 110.171 -0.307 . . . . 0.0 110.171 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 23' ' ' TYR . . . . . 0.561 ' CE1' ' HA ' ' B' ' 74' ' ' GLU . 0.1 OUTLIER -149.7 118.53 6.64 Favored 'General case' 0 N--CA 1.447 -0.599 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.213 -178.092 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -78.32 -16.04 58.13 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.912 179.413 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -66.95 -26.84 73.23 Favored Glycine 0 C--N 1.332 0.309 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.808 179.689 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 26' ' ' ALA . . . . . 0.417 ' HB2' ' HB2' ' B' ' 78' ' ' GLN . . . -79.07 -3.49 45.53 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.057 0.456 . . . . 0.0 110.564 178.427 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 27' ' ' VAL . . . . . 0.477 HG22 ' CD1' ' B' ' 81' ' ' LEU . 2.7 t -107.89 -48.59 7.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.921 -176.586 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 10.9 p30 -76.46 4.74 8.49 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 121.1 0.476 . . . . 0.0 110.903 -177.045 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 80.0 ttt180 -93.81 -11.76 30.55 Favored 'General case' 0 N--CA 1.447 -0.58 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.856 175.112 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . 0.432 HD12 ' HB3' ' B' ' 81' ' ' LEU . 69.4 mt -71.58 -21.82 61.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.981 -176.416 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 2.9 p -76.99 0.14 22.29 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.142 179.044 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 31.6 t -86.72 157.84 19.55 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.947 178.393 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.59 -21.7 60.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.373 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -51.37 -63.21 1.21 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.802 -0.636 . . . . 0.0 111.085 179.383 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 35' ' ' ALA . . . . . 0.512 ' O ' HG22 ' B' ' 39' ' ' VAL . . . -59.93 -50.61 73.09 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.437 -0.801 . . . . 0.0 111.124 -178.465 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -54.75 -28.17 46.55 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 111.908 0.336 . . . . 0.0 111.908 -176.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 47.7 m -81.98 -20.36 38.67 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.285 -0.416 . . . . 0.0 112.07 -179.409 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 38' ' ' ARG . . . . . 0.42 ' HD2' ' OE1' ' B' ' 82' ' ' GLU . 56.7 mtt180 -98.12 -50.56 4.32 Favored 'General case' 0 CA--C 1.514 -0.427 0 CA-C-O 121.724 0.773 . . . . 0.0 109.093 -179.05 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 39' ' ' VAL . . . . . 0.515 ' O ' HG21 ' B' ' 43' ' ' ILE . 48.6 t -59.08 -33.2 49.64 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 CA-C-N 114.033 -1.44 . . . . 0.0 111.522 -175.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 56.3 p -73.0 -13.19 61.18 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.12 0.486 . . . . 0.0 111.189 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 29.8 t -91.31 -14.63 30.47 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.693 0.759 . . . . 0.0 109.214 177.18 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 11.8 m120 -97.15 -24.96 15.49 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.079 -0.964 . . . . 0.0 110.257 -174.41 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 43' ' ' ILE . . . . . 0.529 HG13 ' N ' ' B' ' 44' ' ' ALA . 4.6 pt -56.33 -42.66 74.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.432 -0.803 . . . . 0.0 111.743 -176.875 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 44' ' ' ALA . . . . . 0.529 ' N ' HG13 ' B' ' 43' ' ' ILE . . . -77.06 -19.02 57.64 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.079 0.466 . . . . 0.0 110.704 -176.489 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -83.37 -51.3 7.52 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.572 -176.659 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 46' ' ' ILE . . . . . 0.421 HG22 ' HB3' ' B' ' 87' ' ' LEU . 53.0 mt -65.82 -36.06 76.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.185 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . 0.436 ' HB3' HD12 ' A' ' 96' ' ' ILE . . . -61.03 -28.82 69.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.247 -179.846 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 44.2 m -94.92 -5.66 44.3 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.884 -0.598 . . . . 0.0 112.042 -174.75 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -128.78 -28.9 0.78 Allowed Glycine 0 CA--C 1.517 0.181 0 C-N-CA 120.253 -0.975 . . . . 0.0 113.404 -176.111 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 80.48 -76.89 2.03 Favored Glycine 0 N--CA 1.447 -0.608 0 N-CA-C 111.127 -0.789 . . . . 0.0 111.127 -178.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -121.74 -17.1 7.52 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 121.17 0.509 . . . . 0.0 110.548 179.46 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 23.1 t -75.18 -11.3 60.05 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.841 -176.473 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -95.06 -16.82 22.38 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.048 -178.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 54' ' ' LEU . . . . . 0.429 ' N ' ' HD2' ' B' ' 55' ' ' PRO . 50.0 mt -53.71 -58.49 12.91 Favored Pre-proline 0 C--N 1.326 -0.437 0 CA-C-N 116.177 -0.465 . . . . 0.0 112.092 -175.747 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 55' ' ' PRO . . . . . 0.429 ' HD2' ' N ' ' B' ' 54' ' ' LEU . 18.4 Cg_endo -60.71 -18.83 57.82 Favored 'Trans proline' 0 C--N 1.353 0.798 0 C-N-CA 122.298 1.999 . . . . 0.0 113.018 -176.267 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 20.1 m -96.46 -34.54 11.46 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.903 0.383 . . . . 0.0 111.208 -178.354 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 73.6 t -82.57 -41.22 17.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.459 -176.125 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 58' ' ' ILE . . . . . 0.523 HG12 ' HG ' ' B' ' 83' ' ' LEU . 65.0 mt -56.76 -41.86 76.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.553 177.756 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 17.7 t -66.65 -41.38 88.33 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.337 -178.365 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 63.1 m-20 -58.66 -49.21 78.39 Favored 'General case' 0 CA--C 1.519 -0.238 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.058 178.647 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . 0.419 ' O ' HG22 ' B' ' 65' ' ' VAL . 41.9 mt -68.67 -44.52 82.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.182 -179.797 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 62' ' ' TYR . . . . . 0.439 ' O ' HG21 ' B' ' 66' ' ' VAL . 57.3 t80 -56.0 -50.44 70.87 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.141 -177.05 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 11.0 t -63.07 -29.96 71.22 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.965 0.412 . . . . 0.0 110.073 -179.354 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -70.22 -36.63 71.21 Favored Glycine 0 N--CA 1.45 -0.399 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.981 179.307 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 65' ' ' VAL . . . . . 0.474 HG13 HG13 ' B' ' 70' ' ' VAL . 59.9 t -76.89 -43.77 32.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 120.704 0.288 . . . . 0.0 111.024 -179.592 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 66' ' ' VAL . . . . . 0.439 HG21 ' O ' ' B' ' 62' ' ' TYR . 87.8 t -61.7 -35.89 70.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.904 0.383 . . . . 0.0 111.415 -178.342 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -70.46 -2.95 15.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.585 179.11 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 38.7 t -92.01 0.16 57.47 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.127 -179.532 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 85.08 25.55 40.21 Favored Glycine 0 N--CA 1.454 -0.14 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.212 177.597 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . 0.474 HG13 HG13 ' B' ' 65' ' ' VAL . 9.1 p -88.1 160.2 2.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 -179.305 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 33.2 t -66.71 141.64 57.69 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 176.318 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 7.8 m -55.45 -46.83 76.74 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.007 0.373 . . . . 0.0 112.007 -174.693 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -76.25 -27.54 56.76 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.949 0.404 . . . . 0.0 110.148 -176.882 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 74' ' ' GLU . . . . . 0.561 ' HA ' ' CE1' ' B' ' 23' ' ' TYR . 40.6 tt0 -74.85 -32.73 61.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.173 179.116 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.09 -36.67 77.92 Favored 'General case' 0 CA--C 1.518 -0.259 0 CA-C-N 115.513 -0.767 . . . . 0.0 111.193 178.047 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -55.22 -44.04 75.05 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.033 179.078 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 77' ' ' ILE . . . . . 0.655 ' O ' ' HG ' ' B' ' 81' ' ' LEU . 43.5 mm -66.15 -56.31 15.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.835 -178.394 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 78' ' ' GLN . . . . . 0.417 ' HB2' ' HB2' ' B' ' 26' ' ' ALA . 18.4 tt0 -58.03 -46.99 84.42 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-O 120.553 0.216 . . . . 0.0 111.199 -179.497 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.3 -37.19 82.31 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.988 0.423 . . . . 0.0 110.89 -178.589 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 80' ' ' LEU . . . . . 0.519 ' O ' HD23 ' B' ' 84' ' ' LEU . 5.1 mt -73.25 -39.63 65.29 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.105 178.65 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . 0.655 ' HG ' ' O ' ' B' ' 77' ' ' ILE . 35.5 mt -65.89 -38.48 88.88 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 120.695 0.283 . . . . 0.0 110.674 -179.494 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 82' ' ' GLU . . . . . 0.42 ' OE1' ' HD2' ' B' ' 38' ' ' ARG . 52.5 mt-10 -64.31 -35.19 80.06 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.298 172.228 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 83' ' ' LEU . . . . . 0.523 ' HG ' HG12 ' B' ' 58' ' ' ILE . 3.5 tm? -67.46 -43.87 80.01 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-O 121.231 0.539 . . . . 0.0 109.84 177.701 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 84' ' ' LEU . . . . . 0.519 HD23 ' O ' ' B' ' 80' ' ' LEU . 3.9 mm? -67.08 -10.39 49.5 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.458 -0.792 . . . . 0.0 112.008 -178.503 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 85' ' ' SER . . . . . 0.403 ' OG ' HG12 ' A' ' 111' ' ' VAL . 49.7 m -93.13 -30.49 15.23 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 120.965 0.412 . . . . 0.0 110.502 -177.671 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 86' ' ' ALA . . . . . 0.403 ' O ' HG13 ' B' ' 90' ' ' VAL . . . -69.75 -43.11 72.93 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.924 -177.087 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 87' ' ' LEU . . . . . 0.445 HD13 ' N ' ' B' ' 88' ' ' VAL . 1.2 pp -81.67 -18.67 43.73 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 112.999 0.74 . . . . 0.0 112.999 -171.651 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 88' ' ' VAL . . . . . 0.445 ' N ' HD13 ' B' ' 87' ' ' LEU . 17.9 m -91.48 -20.52 6.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 C-N-CA 120.05 -0.66 . . . . 0.0 110.417 176.002 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 89' ' ' HIS . . . . . . . . . . . . . 79.5 t60 -69.79 -36.61 75.84 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.087 176.75 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 90' ' ' VAL . . . . . 0.41 HG22 ' O ' ' B' ' 87' ' ' LEU . 29.5 m -66.57 -26.9 38.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.854 -174.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 91' ' ' LEU . . . . . 0.422 ' HA ' ' HB3' ' B' ' 94' ' ' ALA . 3.5 mm? -65.82 -20.51 66.27 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.634 0.254 . . . . 0.0 111.217 -179.31 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 33.8 t -63.29 -29.02 70.42 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.024 0.44 . . . . 0.0 110.454 179.324 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 18.2 m -121.81 13.55 10.72 Favored 'General case' 0 N--CA 1.448 -0.534 0 CA-C-O 121.345 0.593 . . . . 0.0 110.563 -179.611 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 94' ' ' ALA . . . . . 0.422 ' HB3' ' HA ' ' B' ' 91' ' ' LEU . . . -107.23 99.15 8.71 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.537 179.243 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 11.1 t -74.6 93.58 2.54 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.186 0.517 . . . . 0.0 109.731 178.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 96' ' ' ILE . . . . . 0.426 HD12 ' CG1' ' B' ' 99' ' ' VAL . 21.3 tt -72.26 149.71 8.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.091 178.814 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 97' ' ' GLY . . . . . . . . . . . . . . . -106.61 -88.44 2.03 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.564 -0.826 . . . . 0.0 112.184 179.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 98' ' ' ASN . . . . . . . . . . . . . 6.3 t30 -134.95 115.85 14.03 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.668 0.27 . . . . 0.0 110.612 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 99' ' ' VAL . . . . . 0.426 ' CG1' HD12 ' B' ' 96' ' ' ILE . 6.0 m -95.57 161.73 2.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.643 177.164 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 100' ' ' SER . . . . . . . . . . . . . 33.2 m -117.47 146.05 43.77 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.466 -178.118 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 16.9 m -87.25 7.1 29.97 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.22 0.534 . . . . 0.0 110.591 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 7.5 p -113.21 128.5 69.96 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.615 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.868 -178.64 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . 109.84 -15.15 31.61 Favored Glycine 0 C--N 1.317 -0.487 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.617 -177.598 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 104' ' ' VAL . . . . . 0.447 ' O ' HD12 ' B' ' 108' ' ' LEU . 38.1 t -59.62 -34.79 56.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 120.921 0.391 . . . . 0.0 109.981 175.341 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -54.91 -43.31 73.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.12 -0.945 . . . . 0.0 109.52 177.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 2.1 m -74.95 -38.74 61.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.122 -0.945 . . . . 0.0 111.13 -178.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 44.8 m -58.96 -36.58 75.07 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-O 121.222 0.534 . . . . 0.0 110.488 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 108' ' ' LEU . . . . . 0.538 ' O ' HG12 ' B' ' 111' ' ' VAL . 1.9 mt -61.5 -24.54 66.67 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.354 -0.839 . . . . 0.0 111.985 179.053 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 109' ' ' ASN . . . . . 0.465 HD21 ' N ' ' B' ' 109' ' ' ASN . 0.9 OUTLIER -72.16 -27.96 62.92 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.957 0.408 . . . . 0.0 110.462 179.423 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 110' ' ' VAL . . . . . . . . . . . . . 22.8 t -83.62 -37.34 13.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.095 -175.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 111' ' ' VAL . . . . . 0.538 HG12 ' O ' ' B' ' 108' ' ' LEU . 10.6 p -60.8 -28.17 42.58 Favored 'Isoleucine or valine' 0 C--O 1.236 0.354 0 CA-C-O 121.371 0.605 . . . . 0.0 110.342 -179.259 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 112' ' ' GLN . . . . . 0.5 ' HG3' ' O ' ' B' ' 108' ' ' LEU . 25.3 mt-30 -66.66 -24.99 66.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.394 -0.821 . . . . 0.0 111.022 -179.555 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 113' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -81.68 -35.22 30.12 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.3 0.571 . . . . 0.0 110.562 -175.609 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 6.3 m -74.42 -46.11 42.22 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.485 -0.779 . . . . 0.0 111.533 -172.433 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 115' ' ' VAL . . . . . 0.444 HG11 HD21 ' A' ' 81' ' ' LEU . 13.0 p -109.35 -16.64 8.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-O 121.022 0.439 . . . . 0.0 111.251 -174.621 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 116' ' ' GLY . . . . . 0.417 ' HA3' ' O ' ' B' ' 112' ' ' GLN . . . -64.0 -11.43 44.66 Favored Glycine 0 C--O 1.224 -0.525 0 CA-C-N 115.971 -0.559 . . . . 0.0 113.363 -177.873 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -97.71 1.5 48.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.931 0.366 . . . . 0.0 110.891 178.333 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 118' ' ' TYR . . . . . . . . . . . . . 69.8 m-85 -113.84 -28.92 7.24 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.274 0.559 . . . . 0.0 110.126 177.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 119' ' ' VAL . . . . . . . . . . . . . 34.8 m -92.11 -2.89 10.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.079 177.1 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 120' ' ' GLY . . . . . 0.424 ' HA3' ' HB1' ' A' ' 24' ' ' ALA . . . . . . . . 0 C--O 1.25 1.133 0 CA-C-O 118.492 -1.171 . . . . 0.0 112.217 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.506 ' HB3' ' O ' ' B' ' 119' ' ' VAL . 57.9 m . . . . . 0 C--O 1.234 0.241 0 N-CA-C 111.627 0.232 . . . . 0.0 111.627 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -153.94 134.75 13.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.044 177.733 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -93.43 -20.17 20.57 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.779 0.323 . . . . 0.0 111.095 176.428 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.08 -30.98 79.3 Favored Glycine 0 CA--C 1.508 -0.344 0 C-N-CA 121.043 -0.599 . . . . 0.0 112.316 -178.121 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.467 ' HB1' ' HB2' ' A' ' 78' ' ' GLN . . . -66.95 -16.41 64.33 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.182 0.515 . . . . 0.0 110.614 177.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.411 ' CG1' ' HA ' ' B' ' 112' ' ' GLN . 3.1 t -95.73 -42.04 12.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.863 -175.16 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 37.6 m-80 -66.88 -28.04 68.0 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-O 120.955 0.407 . . . . 0.0 110.981 -176.687 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 78.3 ttt180 -72.67 -12.27 60.96 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.277 -176.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.501 ' HB3' HD12 ' B' ' 108' ' ' LEU . 90.6 mt -65.42 -27.23 68.39 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.794 -176.611 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 15.7 p -74.86 -1.95 24.63 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.16 0.505 . . . . 0.0 111.498 -177.099 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 47.7 t -84.32 159.78 20.84 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.222 177.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.27 -16.93 61.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.046 178.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -54.13 -61.38 2.34 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.765 178.212 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.566 ' O ' HG21 ' A' ' 39' ' ' VAL . . . -61.2 -53.68 53.8 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.593 179.216 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.56 -36.49 34.84 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.163 -0.471 . . . . 0.0 112.162 -176.005 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 47.4 t -71.96 -26.21 62.18 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-O 120.833 0.349 . . . . 0.0 111.415 -178.34 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 93.9 mtt-85 -91.41 -47.9 7.19 Favored 'General case' 0 CA--C 1.514 -0.44 0 CA-C-O 121.8 0.809 . . . . 0.0 108.872 -177.761 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.566 HG21 ' O ' ' A' ' 35' ' ' ALA . 61.9 t -59.22 -35.6 58.65 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-N 114.022 -1.444 . . . . 0.0 111.256 -178.5 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.496 ' HB2' ' HB3' ' B' ' 101' ' ' SER . 78.0 p -73.17 -8.76 57.2 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.813 0.34 . . . . 0.0 111.892 -179.348 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 32.6 t -96.37 -17.59 20.53 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.623 0.725 . . . . 0.0 109.249 175.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . 0.442 ' OD1' HD12 ' A' ' 61' ' ' ILE . 9.5 m120 -87.09 -27.6 23.03 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.267 -0.879 . . . . 0.0 109.549 -176.092 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.485 HG13 ' N ' ' A' ' 44' ' ' ALA . 3.0 pt -59.19 -33.49 50.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.085 -0.962 . . . . 0.0 111.074 179.763 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.485 ' N ' HG13 ' A' ' 43' ' ' ILE . . . -89.9 6.37 42.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.108 0.48 . . . . 0.0 111.105 -178.686 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -109.45 -52.96 2.71 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.163 0.506 . . . . 0.0 110.061 177.507 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.413 ' HA ' ' HB3' ' A' ' 53' ' ' ALA . 64.8 mt -64.53 -35.1 73.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.096 -177.669 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.414 ' HB2' HD13 ' B' ' 96' ' ' ILE . . . -66.59 -11.33 52.85 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 112.124 0.416 . . . . 0.0 112.124 -177.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 32.7 t -104.38 -7.52 19.85 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.468 -177.369 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -134.3 -36.01 0.25 Allowed Glycine 0 N--CA 1.453 -0.179 0 C-N-CA 120.306 -0.95 . . . . 0.0 113.356 -175.795 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 85.33 -77.24 2.11 Favored Glycine 0 N--CA 1.444 -0.795 0 N-CA-C 111.165 -0.774 . . . . 0.0 111.165 -177.35 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -112.75 -22.9 10.46 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 121.089 0.471 . . . . 0.0 110.911 -177.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 8.9 p -74.1 -17.53 60.93 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.169 -177.154 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.416 ' O ' HG21 ' A' ' 57' ' ' VAL . . . -88.73 -16.25 32.7 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.659 -178.761 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.412 ' N ' ' HD2' ' A' ' 55' ' ' PRO . 50.8 mt -54.52 -56.4 27.28 Favored Pre-proline 0 CA--C 1.534 0.347 0 CA-C-N 115.877 -0.602 . . . . 0.0 112.025 -176.169 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.412 ' HD2' ' N ' ' A' ' 54' ' ' LEU . 18.5 Cg_endo -62.7 -28.74 76.77 Favored 'Trans proline' 0 C--N 1.352 0.73 0 C-N-CA 121.899 1.733 . . . . 0.0 112.037 -178.028 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 14.5 m -79.01 -34.06 44.37 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.154 0.502 . . . . 0.0 111.002 -178.087 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.416 HG21 ' O ' ' A' ' 53' ' ' ALA . 76.5 t -86.57 -40.66 14.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.894 -173.631 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.479 HG12 HD21 ' A' ' 83' ' ' LEU . 76.5 mt -56.98 -44.13 82.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.344 176.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 11.8 t -64.43 -35.24 80.27 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.252 -176.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -68.38 -47.19 68.0 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.999 179.752 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.442 HD12 ' OD1' ' A' ' 42' ' ' ASN . 47.5 mt -70.11 -45.02 77.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.346 -179.349 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.518 ' O ' HG21 ' A' ' 66' ' ' VAL . 42.2 t80 -53.87 -53.49 51.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.087 -176.494 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 21.0 t -63.29 -29.43 70.75 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.923 0.392 . . . . 0.0 110.56 -179.048 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -66.64 -43.82 91.16 Favored Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.847 -0.692 . . . . 0.0 111.864 178.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.419 HG12 HG13 ' A' ' 70' ' ' VAL . 29.9 t -71.99 -43.54 67.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-O 120.722 0.296 . . . . 0.0 111.047 -179.71 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.518 HG21 ' O ' ' A' ' 62' ' ' TYR . 94.7 t -57.63 -38.27 63.46 Favored 'Isoleucine or valine' 0 C--O 1.234 0.245 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.299 -178.129 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -66.56 -10.54 46.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.017 -0.538 . . . . 0.0 112.192 -178.406 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 29.2 t -87.54 -9.37 54.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.793 0.33 . . . . 0.0 110.997 -179.635 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 89.56 33.42 9.27 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.522 -0.847 . . . . 0.0 112.085 -179.301 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.419 HG13 HG12 ' A' ' 65' ' ' VAL . 13.5 p -80.99 157.91 4.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 177.695 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 2.0 m -65.42 156.26 32.89 Favored 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 110.433 -0.21 . . . . 0.0 110.433 178.527 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.7 m -54.05 -65.59 0.54 Allowed 'General case' 0 CA--C 1.534 0.329 0 N-CA-C 112.806 0.669 . . . . 0.0 112.806 -172.381 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -73.75 -22.48 59.85 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.321 0.581 . . . . 0.0 109.983 -176.42 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -67.97 -31.93 71.99 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.55 -0.75 . . . . 0.0 109.971 178.661 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.94 -43.29 99.16 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.837 176.128 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.411 ' O ' HD21 ' A' ' 80' ' ' LEU . 2.8 tm? -56.76 -50.37 72.49 Favored 'General case' 0 CA--C 1.516 -0.355 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.627 176.681 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.732 ' O ' ' HG ' ' A' ' 81' ' ' LEU . 33.7 mm -59.0 -56.51 16.48 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 115.247 -0.888 . . . . 0.0 111.351 -177.052 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . 0.467 ' HB2' ' HB1' ' A' ' 26' ' ' ALA . 44.2 tt0 -59.09 -46.5 88.13 Favored 'General case' 0 N--CA 1.464 0.265 0 C-N-CA 120.878 -0.329 . . . . 0.0 111.288 -178.713 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -58.57 -38.57 78.16 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.837 -179.156 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.635 ' O ' HD23 ' A' ' 84' ' ' LEU . 3.2 mm? -68.12 -42.26 80.48 Favored 'General case' 0 N--CA 1.448 -0.557 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.656 175.386 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.732 ' HG ' ' O ' ' A' ' 77' ' ' ILE . 77.6 mt -60.43 -45.12 94.78 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.734 0.302 . . . . 0.0 111.309 -179.436 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -62.73 -42.7 99.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.895 0.379 . . . . 0.0 110.382 177.758 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.479 HD21 HG12 ' A' ' 58' ' ' ILE . 41.5 tp -58.82 -44.03 90.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.073 0.463 . . . . 0.0 110.921 176.339 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.635 HD23 ' O ' ' A' ' 80' ' ' LEU . 3.5 mm? -66.39 -5.58 11.35 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.617 -0.72 . . . . 0.0 111.871 -177.648 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 20.0 m -98.37 -30.15 12.74 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.895 0.379 . . . . 0.0 110.553 178.096 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.404 ' HB2' HG13 ' A' ' 39' ' ' VAL . . . -71.75 -48.0 49.85 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.335 0.588 . . . . 0.0 110.762 -176.358 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.497 HD13 ' N ' ' A' ' 88' ' ' VAL . 1.1 pp -74.2 -20.7 60.11 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.405 -0.816 . . . . 0.0 112.753 -172.163 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.497 ' N ' HD13 ' A' ' 87' ' ' LEU . 16.4 m -89.86 -22.43 6.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 C-N-CA 120.297 -0.561 . . . . 0.0 110.543 177.215 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 54.7 t60 -70.47 -34.52 72.5 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.266 179.258 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.409 ' HB ' ' CD1' ' B' ' 96' ' ' ILE . 20.3 m -66.18 -27.22 40.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.262 -176.127 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.45 ' HA ' ' HB1' ' A' ' 94' ' ' ALA . 4.1 mm? -62.97 -24.63 67.98 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.971 0.415 . . . . 0.0 110.999 178.787 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 60.2 m -56.9 -34.94 68.41 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.02 179.169 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' SER . . . . . 0.471 ' HB2' HG13 ' B' ' 99' ' ' VAL . 19.4 m -108.01 -19.28 13.56 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.629 0.728 . . . . 0.0 110.324 -178.878 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . 0.45 ' HB1' ' HA ' ' A' ' 91' ' ' LEU . . . -76.72 96.33 4.2 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.102 -0.954 . . . . 0.0 111.61 -179.233 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 26.4 t -75.26 89.21 2.55 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.21 -0.663 . . . . 0.0 109.21 174.163 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.435 HD13 ' HB2' ' B' ' 47' ' ' ALA . 20.0 tt -68.55 145.4 13.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.453 -177.458 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -92.73 -109.29 1.84 Allowed Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.889 -0.672 . . . . 0.0 112.157 179.152 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -122.83 117.13 24.92 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.708 0.29 . . . . 0.0 110.286 -179.273 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.412 ' CG1' HD12 ' A' ' 96' ' ' ILE . 5.7 m -97.61 155.47 3.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 120.86 0.362 . . . . 0.0 110.946 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 40.0 m -116.63 148.85 40.59 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.474 -178.371 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 2.5 p -84.91 0.43 51.19 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.317 0.58 . . . . 0.0 111.077 179.289 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 45.9 t -94.01 111.76 25.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.06 -174.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 107.82 1.43 34.34 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.837 -0.697 . . . . 0.0 112.828 176.305 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 47.4 t -57.15 -33.0 41.94 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.106 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 174.721 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -49.37 -42.67 42.82 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.303 -0.862 . . . . 0.0 111.572 177.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 25.0 m -72.88 -24.98 60.92 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.02 -177.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 22.3 m -72.12 -35.66 69.2 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 177.631 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.573 ' O ' ' HG3' ' A' ' 112' ' ' GLN . 4.5 mm? -57.93 -31.34 66.73 Favored 'General case' 0 C--O 1.221 -0.437 0 CA-C-N 115.321 -0.854 . . . . 0.0 110.308 174.779 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . 0.469 ' N ' HD21 ' A' ' 109' ' ' ASN . 0.9 OUTLIER -73.36 -26.61 61.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.813 0.339 . . . . 0.0 110.78 -179.086 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 41.4 t -82.63 -37.45 14.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.828 -176.478 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.55 HG11 ' O ' ' A' ' 108' ' ' LEU . 8.5 p -62.93 -25.2 37.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 121.436 0.636 . . . . 0.0 110.511 -179.583 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . 0.573 ' HG3' ' O ' ' A' ' 108' ' ' LEU . 21.8 mt-30 -70.48 -21.16 62.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.977 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -82.8 -34.82 26.89 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.683 -174.63 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 13.4 p -80.44 -47.24 14.64 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.45 -0.796 . . . . 0.0 112.007 -172.119 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . 0.474 HG13 HD22 ' B' ' 81' ' ' LEU . 12.7 p -107.76 -16.05 8.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-O 120.922 0.392 . . . . 0.0 111.507 -171.839 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -61.45 -22.53 61.44 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.854 -0.689 . . . . 0.0 112.663 -178.551 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -92.3 6.84 45.33 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.717 0.294 . . . . 0.0 111.337 -179.165 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 70.2 m-85 -116.08 -32.59 5.32 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-O 120.8 0.333 . . . . 0.0 110.297 175.765 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . 0.404 ' O ' ' HB3' ' B' ' 22' ' ' SER . 35.1 m . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.732 176.331 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 22' ' ' SER . . . . . 0.404 ' HB3' ' O ' ' A' ' 119' ' ' VAL . 34.6 m . . . . . 0 N--CA 1.448 -0.559 0 CA-C-O 120.675 0.274 . . . . 0.0 111.24 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -153.33 129.18 10.19 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 108.503 -0.925 . . . . 0.0 108.503 177.107 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -80.56 -27.03 37.64 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 120.751 0.31 . . . . 0.0 111.485 -178.065 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.15 -28.34 73.43 Favored Glycine 0 CA--C 1.512 -0.136 0 C-N-CA 121.105 -0.569 . . . . 0.0 112.561 -179.4 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.77 -17.94 64.12 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.598 0.714 . . . . 0.0 109.749 177.7 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 27' ' ' VAL . . . . . 0.509 ' CG1' ' HA ' ' A' ' 112' ' ' GLN . 2.5 t -92.68 -38.05 9.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-N 114.859 -1.064 . . . . 0.0 109.693 177.833 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 76.2 m-20 -75.18 -15.58 60.56 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.097 -174.236 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 77.7 ttt180 -82.34 -11.31 58.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.321 0.582 . . . . 0.0 110.222 178.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . 0.523 ' HB3' HD11 ' A' ' 108' ' ' LEU . 97.6 mt -66.66 -26.39 67.03 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.63 -176.383 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 5.2 p -77.14 -0.4 24.77 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.548 -178.238 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 8.5 t -82.58 161.85 22.13 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.816 -0.439 . . . . 0.0 109.816 179.356 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.11 -15.68 63.3 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.811 0.339 . . . . 0.0 110.798 178.601 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -57.89 -66.37 0.49 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.714 179.151 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 35' ' ' ALA . . . . . 0.527 ' O ' HG21 ' B' ' 39' ' ' VAL . . . -55.9 -50.7 69.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.071 179.745 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -56.88 -20.57 23.82 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.332 0.493 . . . . 0.0 112.332 -177.385 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 44.7 t -85.95 -27.45 24.9 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.779 0.323 . . . . 0.0 111.325 178.768 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 38' ' ' ARG . . . . . 0.591 ' NH1' ' HA ' ' B' ' 61' ' ' ILE . 13.4 mtp180 -95.61 -45.1 7.19 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 -176.191 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 39' ' ' VAL . . . . . 0.527 HG21 ' O ' ' B' ' 35' ' ' ALA . 59.6 t -59.36 -34.87 55.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 114.875 -1.057 . . . . 0.0 110.989 179.752 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 33.1 p -72.75 -11.77 60.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.372 179.167 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 47.0 t -91.62 -17.03 26.16 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.701 0.763 . . . . 0.0 109.445 176.194 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 42' ' ' ASN . . . . . 0.421 ' OD1' HD12 ' B' ' 61' ' ' ILE . 10.6 m120 -92.93 -26.51 17.56 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.174 -0.921 . . . . 0.0 110.058 -174.598 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 43' ' ' ILE . . . . . 0.524 HG13 ' N ' ' B' ' 44' ' ' ALA . 3.9 pt -56.41 -40.42 67.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.478 -0.783 . . . . 0.0 111.604 -177.736 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 44' ' ' ALA . . . . . 0.524 ' N ' HG13 ' B' ' 43' ' ' ILE . . . -79.39 -12.49 59.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.982 0.42 . . . . 0.0 111.159 -176.217 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -90.38 -51.27 5.51 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.234 0.54 . . . . 0.0 110.495 -178.047 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 47.7 mt -68.22 -32.49 56.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.725 -178.215 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . 0.435 ' HB2' HD13 ' A' ' 96' ' ' ILE . . . -64.43 -19.69 65.69 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.303 179.58 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 33.7 t -100.45 -47.21 4.97 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.825 -178.095 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -84.22 -24.77 46.57 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.814 -0.708 . . . . 0.0 113.3 -176.451 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 75.83 -74.85 1.54 Allowed Glycine 0 N--CA 1.45 -0.378 0 N-CA-C 111.554 -0.618 . . . . 0.0 111.554 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -122.23 -23.05 5.4 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.09 0.471 . . . . 0.0 110.426 179.16 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 15.2 m -72.52 -10.34 59.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.947 -178.103 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -91.81 -17.01 25.97 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.649 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 54' ' ' LEU . . . . . 0.412 ' N ' ' HD2' ' B' ' 55' ' ' PRO . 50.8 mt -55.67 -58.51 15.31 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 115.904 -0.589 . . . . 0.0 112.282 -176.152 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 55' ' ' PRO . . . . . 0.412 ' HD2' ' N ' ' B' ' 54' ' ' LEU . 18.2 Cg_endo -60.72 -21.57 70.13 Favored 'Trans proline' 0 C--N 1.353 0.767 0 C-N-CA 122.242 1.961 . . . . 0.0 112.436 -176.489 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 14.8 m -89.04 -44.58 10.27 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.049 0.452 . . . . 0.0 110.905 -179.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 78.8 t -74.89 -37.45 41.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.406 -173.55 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 58' ' ' ILE . . . . . 0.509 HG12 HD22 ' B' ' 83' ' ' LEU . 46.7 mt -57.09 -44.1 82.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.241 175.783 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 5.1 t -68.92 -38.58 79.64 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.988 -177.13 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -60.83 -48.68 80.72 Favored 'General case' 0 CA--C 1.52 -0.21 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.703 178.78 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . 0.591 ' HA ' ' NH1' ' B' ' 38' ' ' ARG . 41.4 mt -69.24 -45.37 79.47 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.957 179.107 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 62' ' ' TYR . . . . . 0.488 ' O ' HG23 ' B' ' 66' ' ' VAL . 48.5 t80 -55.41 -55.64 29.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.081 -177.709 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 33.6 t -60.68 -31.66 70.91 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-O 121.093 0.473 . . . . 0.0 110.312 -179.484 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . 0.471 ' HA3' ' NH1' ' B' ' 38' ' ' ARG . . . -65.75 -45.14 90.45 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.839 -0.696 . . . . 0.0 111.936 178.283 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 65' ' ' VAL . . . . . 0.489 HG21 ' O ' ' B' ' 61' ' ' ILE . 41.4 t -70.81 -44.14 76.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.76 0.314 . . . . 0.0 110.836 -179.303 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 66' ' ' VAL . . . . . 0.488 HG23 ' O ' ' B' ' 62' ' ' TYR . 93.0 t -57.22 -37.05 54.14 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.328 0 CA-C-O 120.901 0.381 . . . . 0.0 110.961 -179.761 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.07 -7.24 11.25 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 115.941 -0.572 . . . . 0.0 112.238 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 44.6 t -93.17 -2.55 55.17 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.555 0.217 . . . . 0.0 111.513 -178.635 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 83.82 26.99 39.58 Favored Glycine 0 N--CA 1.453 -0.174 0 C-N-CA 120.415 -0.898 . . . . 0.0 111.902 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . 0.437 HG11 HG11 ' B' ' 65' ' ' VAL . 13.8 p -78.58 158.74 4.8 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-N 115.372 -0.414 . . . . 0.0 109.905 179.139 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 1.5 m -68.04 152.55 45.34 Favored 'General case' 0 N--CA 1.448 -0.526 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 178.174 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 24.9 m -49.54 -68.07 0.21 Allowed 'General case' 0 N--CA 1.468 0.469 0 N-CA-C 113.649 0.981 . . . . 0.0 113.649 -171.287 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 47.9 t30 -81.37 -11.69 59.21 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.118 -0.633 . . . . 0.0 110.495 -175.394 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -69.02 -33.42 73.6 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.733 -0.84 . . . . 0.0 108.733 173.023 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -62.54 -42.12 99.32 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 114.851 -1.068 . . . . 0.0 110.237 173.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 76' ' ' LEU . . . . . 0.428 HD23 ' HB3' ' B' ' 118' ' ' TYR . 2.8 tm? -53.93 -54.67 35.55 Favored 'General case' 0 CA--C 1.518 -0.277 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.567 177.656 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 77' ' ' ILE . . . . . 0.69 ' O ' ' HG ' ' B' ' 81' ' ' LEU . 37.2 mm -59.33 -55.71 21.86 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 115.336 -0.847 . . . . 0.0 111.563 -177.292 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 78' ' ' GLN . . . . . . . . . . . . . 48.6 tt0 -57.89 -48.78 78.84 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 120.826 -0.35 . . . . 0.0 110.931 -178.22 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.2 -38.89 84.67 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.809 -178.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 80' ' ' LEU . . . . . 0.637 ' O ' HD21 ' B' ' 84' ' ' LEU . 2.8 mm? -65.41 -41.75 93.3 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.769 175.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . 0.69 ' HG ' ' O ' ' B' ' 77' ' ' ILE . 37.6 mt -68.73 -39.21 80.5 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.601 0.238 . . . . 0.0 111.15 -177.797 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -59.55 -45.6 91.32 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 173.12 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 83' ' ' LEU . . . . . 0.509 HD22 HG12 ' B' ' 58' ' ' ILE . 35.2 tp -58.17 -46.58 85.48 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.398 176.374 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 84' ' ' LEU . . . . . 0.637 HD21 ' O ' ' B' ' 80' ' ' LEU . 3.6 mm? -65.85 -3.73 5.57 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.979 -176.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 85' ' ' SER . . . . . 0.423 ' OG ' HD13 ' A' ' 108' ' ' LEU . 22.8 m -101.73 -27.27 13.14 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.903 0.382 . . . . 0.0 110.57 177.744 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 86' ' ' ALA . . . . . 0.436 ' HB3' HG12 ' B' ' 39' ' ' VAL . . . -72.16 -45.86 58.74 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-O 121.501 0.667 . . . . 0.0 110.587 -177.221 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 87' ' ' LEU . . . . . 0.443 HD11 HG13 ' B' ' 88' ' ' VAL . 1.0 OUTLIER -80.16 -14.02 58.79 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.152 -0.931 . . . . 0.0 112.663 -172.043 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 88' ' ' VAL . . . . . 0.443 HG13 HD11 ' B' ' 87' ' ' LEU . 20.6 m -96.26 -23.57 4.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 C-N-CA 120.459 -0.496 . . . . 0.0 110.882 177.128 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 89' ' ' HIS . . . . . . . . . . . . . 50.6 t60 -68.54 -35.38 77.36 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.86 -0.422 . . . . 0.0 109.86 177.571 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 90' ' ' VAL . . . . . . . . . . . . . 32.9 m -64.6 -26.16 39.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.436 -176.038 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 91' ' ' LEU . . . . . 0.441 ' HA ' ' HB1' ' B' ' 94' ' ' ALA . 3.5 mm? -65.84 -22.85 66.57 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.565 -0.289 . . . . 0.0 111.182 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 33.1 t -61.94 -28.05 69.26 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-O 121.085 0.469 . . . . 0.0 110.666 179.184 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 25.7 m -121.87 13.48 10.66 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-O 121.246 0.546 . . . . 0.0 110.557 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 94' ' ' ALA . . . . . 0.441 ' HB1' ' HA ' ' B' ' 91' ' ' LEU . . . -107.73 97.53 7.24 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-N 115.784 -0.643 . . . . 0.0 110.423 179.209 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 22.8 t -73.46 90.05 1.69 Allowed 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 178.302 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 96' ' ' ILE . . . . . 0.414 HD13 ' HB2' ' A' ' 47' ' ' ALA . 20.9 tt -74.1 141.94 15.46 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.679 179.644 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 97' ' ' GLY . . . . . . . . . . . . . . . -88.85 -116.02 1.4 Allowed Glycine 0 N--CA 1.447 -0.569 0 C-N-CA 120.589 -0.815 . . . . 0.0 112.082 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 98' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -119.92 98.54 6.14 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 120.991 0.424 . . . . 0.0 109.894 -178.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 99' ' ' VAL . . . . . 0.471 HG13 ' HB2' ' A' ' 93' ' ' SER . 13.7 m -76.2 164.43 3.55 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.487 177.442 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 100' ' ' SER . . . . . 0.444 ' C ' ' H ' ' B' ' 102' ' ' VAL . 28.7 m -138.39 149.48 45.58 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.177 -178.567 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 101' ' ' SER . . . . . 0.496 ' HB3' ' HB2' ' A' ' 40' ' ' SER . 41.0 m -76.25 29.12 0.12 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.371 -177.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 102' ' ' VAL . . . . . 0.444 ' H ' ' C ' ' B' ' 100' ' ' SER . 60.3 t -108.28 108.98 26.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.75 -175.852 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . 107.49 -0.89 34.61 Favored Glycine 0 N--CA 1.446 -0.695 0 C-N-CA 120.55 -0.833 . . . . 0.0 112.852 176.022 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 104' ' ' VAL . . . . . . . . . . . . . 21.5 t -60.21 -36.64 69.56 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.231 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 178.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -50.77 -38.44 48.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.446 -0.797 . . . . 0.0 111.074 179.655 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 14.6 m -75.0 -29.98 61.02 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.034 -178.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 13.1 m -67.42 -34.78 77.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.187 0.518 . . . . 0.0 109.889 -179.452 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 108' ' ' LEU . . . . . 0.501 HD12 ' HB3' ' A' ' 30' ' ' LEU . 4.6 mm? -58.82 -28.14 65.75 Favored 'General case' 0 C--O 1.223 -0.341 0 CA-C-N 115.301 -0.863 . . . . 0.0 110.944 176.659 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 109' ' ' ASN . . . . . 0.484 HD21 ' N ' ' B' ' 109' ' ' ASN . 0.8 OUTLIER -74.66 -24.53 58.83 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.031 0.443 . . . . 0.0 110.448 -178.069 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 110' ' ' VAL . . . . . . . . . . . . . 40.5 t -84.81 -40.78 15.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.987 -176.307 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 111' ' ' VAL . . . . . 0.478 HG13 ' O ' ' B' ' 108' ' ' LEU . 10.8 p -59.8 -28.11 39.84 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.367 0 CA-C-O 121.35 0.595 . . . . 0.0 110.932 -178.029 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 112' ' ' GLN . . . . . 0.441 ' HG3' ' O ' ' B' ' 108' ' ' LEU . 26.0 mt-30 -69.99 -23.97 63.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.056 -178.226 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 113' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -87.35 -25.58 23.8 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.738 -170.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 114' ' ' SER . . . . . 0.425 ' HB2' HD13 ' B' ' 58' ' ' ILE . 13.5 p -87.98 -43.56 11.66 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.857 -0.611 . . . . 0.0 112.186 -173.784 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 115' ' ' VAL . . . . . . . . . . . . . 13.1 p -108.63 -17.8 7.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-O 120.84 0.352 . . . . 0.0 111.385 -174.261 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 116' ' ' GLY . . . . . . . . . . . . . . . -61.8 -19.46 58.56 Favored Glycine 0 C--O 1.228 -0.276 0 C-N-CA 120.903 -0.665 . . . . 0.0 112.75 -178.576 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -97.53 12.13 34.49 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.747 0.308 . . . . 0.0 111.057 179.859 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 118' ' ' TYR . . . . . 0.428 ' HB3' HD23 ' B' ' 76' ' ' LEU . 64.4 m-85 -121.64 -26.66 4.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.97 0.414 . . . . 0.0 110.489 176.004 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 119' ' ' VAL . . . . . 0.506 ' O ' ' HB3' ' A' ' 22' ' ' SER . 29.8 m -84.34 -2.49 7.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.863 174.591 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.017 0 CA-C-O 118.123 -1.376 . . . . 0.0 110.52 177.1 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.447 ' HB3' ' O ' ' B' ' 119' ' ' VAL . 27.0 m . . . . . 0 C--O 1.235 0.333 0 CA-C-O 120.684 0.278 . . . . 0.0 111.518 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -152.43 127.04 9.42 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.116 179.599 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -86.04 -26.29 25.43 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 120.844 0.354 . . . . 0.0 110.911 176.528 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.67 -28.04 67.3 Favored Glycine 0 C--N 1.332 0.319 0 C-N-CA 120.864 -0.684 . . . . 0.0 112.534 -179.582 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.417 ' HB2' ' HB2' ' A' ' 78' ' ' GLN . . . -80.25 8.42 7.43 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.126 0.489 . . . . 0.0 111.107 179.391 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.478 HG21 ' CD1' ' A' ' 81' ' ' LEU . 3.4 t -116.7 -44.17 3.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.871 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 27.1 m-80 -64.9 -23.78 67.33 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-O 120.942 0.401 . . . . 0.0 111.37 -175.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 15.5 ptm180 -86.43 5.44 35.09 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.426 -177.53 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 96.1 mt -75.07 -25.44 58.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.818 0.342 . . . . 0.0 110.692 178.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 14.6 p -78.83 -1.2 33.79 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.191 0.52 . . . . 0.0 110.81 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 35.0 t -87.89 170.55 11.06 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.656 177.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.34 -15.38 62.5 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.827 -179.428 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -53.08 -66.0 0.46 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.7 179.529 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.505 ' O ' HG23 ' A' ' 39' ' ' VAL . . . -67.69 -47.15 70.25 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.099 -178.771 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -55.82 -26.13 44.98 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.885 -175.442 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 23.0 t -86.22 -20.01 29.15 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 111.988 0.366 . . . . 0.0 111.988 179.633 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.471 ' HD2' ' OE1' ' A' ' 82' ' ' GLU . 68.6 mtt180 -98.02 -46.8 5.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.735 0.779 . . . . 0.0 109.504 -178.137 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.505 HG23 ' O ' ' A' ' 35' ' ' ALA . 59.9 t -59.28 -43.87 90.88 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-N 114.383 -1.28 . . . . 0.0 111.324 -178.454 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.458 ' HB2' ' CB ' ' B' ' 101' ' ' SER . 77.7 p -69.63 -18.49 63.6 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.335 -176.598 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 41.7 t -84.41 -8.78 58.86 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.956 0.408 . . . . 0.0 110.545 -179.039 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 44.0 m-80 -122.54 -1.79 9.01 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.275 -174.488 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.503 HG13 ' N ' ' A' ' 44' ' ' ALA . 5.2 pt -62.19 -40.54 88.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.943 0.401 . . . . 0.0 110.67 177.868 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.503 ' N ' HG13 ' A' ' 43' ' ' ILE . . . -80.28 -6.65 58.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.202 0.525 . . . . 0.0 110.724 -177.636 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -86.97 -51.76 5.84 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.079 178.2 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 48.7 mt -65.33 -34.69 72.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.465 179.359 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.446 ' HB2' HD12 ' B' ' 96' ' ' ILE . . . -63.53 -16.43 60.72 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.261 178.645 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 35.5 t -108.21 -2.64 19.19 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.258 -176.376 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -132.86 -27.37 0.59 Allowed Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.017 -1.087 . . . . 0.0 113.799 -176.438 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 73.3 -78.09 0.84 Allowed Glycine 0 N--CA 1.447 -0.588 0 N-CA-C 111.447 -0.661 . . . . 0.0 111.447 -178.248 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -119.77 -21.07 7.38 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-O 120.993 0.425 . . . . 0.0 110.34 178.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 17.9 m -74.28 -10.04 59.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.547 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -95.42 -14.95 23.36 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.947 179.654 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 53.1 mt -56.21 -58.61 15.5 Favored Pre-proline 0 C--N 1.326 -0.439 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.888 -176.435 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 28.0 Cg_endo -63.81 -21.88 69.3 Favored 'Trans proline' 0 C--N 1.35 0.627 0 C-N-CA 121.84 1.693 . . . . 0.0 112.39 -177.532 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 15.4 m -82.34 -41.61 19.81 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 120.896 0.379 . . . . 0.0 110.449 179.02 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 78.2 t -83.56 -40.1 15.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.134 -173.664 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.526 HG12 ' HG ' ' A' ' 83' ' ' LEU . 49.7 mt -58.71 -43.8 88.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-O 121.021 0.439 . . . . 0.0 110.406 177.77 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 58.1 m -69.03 -28.33 66.46 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.751 -179.613 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 92.4 m-20 -64.36 -59.25 4.6 Favored 'General case' 0 CA--C 1.517 -0.315 0 CA-C-O 121.396 0.617 . . . . 0.0 110.453 174.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.474 ' O ' HG22 ' A' ' 65' ' ' VAL . 48.1 mt -65.46 -43.63 94.46 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 115.262 -0.881 . . . . 0.0 111.261 -175.709 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.427 ' O ' HG21 ' A' ' 66' ' ' VAL . 55.5 t80 -55.75 -52.33 64.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.51 -0.314 . . . . 0.0 110.523 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 18.4 t -62.96 -30.24 71.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.228 -179.697 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -65.81 -43.69 93.52 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 121.051 -0.595 . . . . 0.0 112.126 178.77 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.474 HG22 ' O ' ' A' ' 61' ' ' ILE . 20.6 t -74.94 -42.32 46.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 120.723 0.297 . . . . 0.0 110.934 -179.248 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.427 HG21 ' O ' ' A' ' 62' ' ' TYR . 75.1 t -58.7 -37.86 68.29 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.258 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.923 -179.457 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.8 -14.84 56.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.699 179.514 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 9.3 t -88.44 -3.45 58.82 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.608 -0.269 . . . . 0.0 110.955 -178.706 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 88.18 31.54 14.1 Favored Glycine 0 C--N 1.33 0.223 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.711 177.716 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 8.9 p -87.38 161.65 2.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 N-CA-C 110.231 -0.285 . . . . 0.0 110.231 178.412 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 44.5 t -70.29 156.36 39.38 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 110.399 -0.223 . . . . 0.0 110.399 176.24 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 12.5 m -60.1 -58.78 7.07 Favored 'General case' 0 CA--C 1.533 0.303 0 N-CA-C 112.149 0.426 . . . . 0.0 112.149 -174.743 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -70.25 -30.03 66.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.97 0.414 . . . . 0.0 110.003 -176.345 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -68.58 -35.74 77.78 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.111 -0.495 . . . . 0.0 109.988 177.476 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -62.95 -41.67 99.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.477 175.437 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -56.69 -46.11 81.36 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.909 178.345 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.66 ' O ' ' HG ' ' A' ' 81' ' ' LEU . 44.4 mm -65.16 -57.14 12.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.672 179.78 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . 0.417 ' HB2' ' HB2' ' A' ' 26' ' ' ALA . 37.4 tp60 -51.81 -51.59 55.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.078 179.064 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.32 -38.6 91.61 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.514 -176.722 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.4 HD22 ' HA ' ' A' ' 80' ' ' LEU . 7.7 mt -70.02 -39.86 75.56 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.658 -0.417 . . . . 0.0 111.175 179.814 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.66 ' HG ' ' O ' ' A' ' 77' ' ' ILE . 15.5 mt -65.16 -37.77 88.43 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 120.986 0.422 . . . . 0.0 109.917 179.672 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.471 ' OE1' ' HD2' ' A' ' 38' ' ' ARG . 45.4 mt-10 -64.21 -41.94 96.83 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.346 171.349 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.526 ' HG ' HG12 ' A' ' 58' ' ' ILE . 3.5 tm? -62.44 -45.54 92.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.319 -179.173 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -72.61 -2.53 20.33 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.645 -177.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 57.8 m -94.9 -35.29 12.09 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.982 0.42 . . . . 0.0 110.381 176.597 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.414 ' O ' HG11 ' A' ' 90' ' ' VAL . . . -64.43 -45.17 88.67 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.849 -176.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.44 HD12 ' N ' ' A' ' 88' ' ' VAL . 1.2 pp -80.23 -17.78 51.32 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 113.073 0.768 . . . . 0.0 113.073 -171.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.44 ' N ' HD12 ' A' ' 87' ' ' LEU . 17.5 m -92.83 -22.07 5.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 C-N-CA 120.248 -0.581 . . . . 0.0 110.791 176.677 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 81.9 t60 -68.2 -37.48 80.93 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.036 176.335 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.507 ' HB ' ' CD1' ' B' ' 96' ' ' ILE . 25.6 m -64.56 -26.88 41.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.614 -174.41 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.466 ' HA ' ' HB3' ' A' ' 94' ' ' ALA . 3.5 mm? -64.75 -19.7 65.94 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.097 179.437 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 23.1 t -60.78 -27.1 67.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.089 179.583 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 10.0 t -127.12 10.3 6.88 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.257 0.551 . . . . 0.0 110.237 179.406 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . 0.466 ' HB3' ' HA ' ' A' ' 91' ' ' LEU . . . -101.09 98.02 8.51 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.235 179.63 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 8.1 t -77.5 88.25 3.84 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.216 0.531 . . . . 0.0 109.847 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.434 HD11 ' HB2' ' B' ' 47' ' ' ALA . 18.5 tt -65.97 149.64 11.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.744 -177.899 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -97.24 -118.16 3.66 Favored Glycine 0 N--CA 1.446 -0.638 0 C-N-CA 120.968 -0.634 . . . . 0.0 111.808 176.103 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -104.0 129.4 51.6 Favored 'General case' 0 C--N 1.321 -0.635 0 O-C-N 122.764 -0.257 . . . . 0.0 110.494 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 2.4 m -125.36 121.95 61.65 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-O 120.947 0.403 . . . . 0.0 110.754 175.137 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 49.8 m -103.3 166.59 10.34 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.858 -179.046 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 5.7 p -77.47 -11.64 59.87 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.957 -0.565 . . . . 0.0 112.075 -175.75 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 3.5 p -75.65 101.96 2.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-O 121.468 0.651 . . . . 0.0 111.363 -175.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 128.21 -14.85 6.19 Favored Glycine 0 N--CA 1.449 -0.451 0 CA-C-N 115.638 -0.71 . . . . 0.0 113.043 176.022 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.457 ' O ' HD13 ' A' ' 108' ' ' LEU . 23.3 t -58.31 -34.46 50.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.958 0.409 . . . . 0.0 110.018 177.635 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -56.05 -41.59 75.27 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.224 -0.898 . . . . 0.0 110.16 178.58 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 35.1 m -77.03 -39.05 51.57 Favored 'General case' 0 CA--C 1.529 0.138 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.632 -179.417 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 29.2 m -58.07 -35.82 71.92 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 121.237 0.542 . . . . 0.0 110.653 179.573 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.547 ' O ' HG13 ' A' ' 111' ' ' VAL . 1.6 mt -61.18 -24.58 66.42 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.451 -0.795 . . . . 0.0 111.916 178.32 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . 0.48 ' N ' HD21 ' A' ' 109' ' ' ASN . 0.8 OUTLIER -72.07 -26.71 62.27 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.985 0.421 . . . . 0.0 110.373 179.275 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 23.0 t -84.79 -37.36 12.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.065 -176.094 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.547 HG13 ' O ' ' A' ' 108' ' ' LEU . 7.3 p -59.93 -29.2 42.78 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.237 0 CA-C-O 121.369 0.604 . . . . 0.0 110.399 -179.718 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . 0.48 ' HG3' ' O ' ' A' ' 108' ' ' LEU . 24.9 mt-30 -66.1 -21.7 66.37 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.413 -0.812 . . . . 0.0 111.056 -179.346 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -82.49 -37.48 25.25 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.58 -176.065 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 5.3 m -79.7 -41.88 25.85 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.29 -0.868 . . . . 0.0 111.887 -170.708 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . 0.413 HG11 ' O ' ' A' ' 111' ' ' VAL . 8.2 p -110.98 -19.99 6.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-O 120.935 0.398 . . . . 0.0 111.647 -174.039 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -64.24 -16.39 60.13 Favored Glycine 0 CA--C 1.517 0.205 0 C-N-CA 121.223 -0.513 . . . . 0.0 113.12 -177.102 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.46 2.31 54.4 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.597 0.237 . . . . 0.0 111.161 179.493 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 74.2 m-85 -111.15 -29.67 7.77 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.997 0.427 . . . . 0.0 110.614 177.004 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 32.0 m . . . . . 0 C--N 1.326 -0.42 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.696 177.183 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 37.5 m . . . . . 0 N--CA 1.447 -0.608 0 CA-C-O 120.678 0.275 . . . . 0.0 110.81 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 23' ' ' TYR . . . . . 0.463 ' CE1' ' HA ' ' B' ' 74' ' ' GLU . 1.1 m-85 -151.7 119.24 6.05 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-N 116.233 -0.44 . . . . 0.0 109.906 179.609 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.48 -30.16 53.0 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-O 121.177 0.513 . . . . 0.0 110.824 177.639 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.32 -28.52 67.2 Favored Glycine 0 CA--C 1.518 0.23 0 CA-C-N 116.045 -0.525 . . . . 0.0 112.959 -177.241 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 26' ' ' ALA . . . . . 0.444 ' HB2' ' HB2' ' B' ' 78' ' ' GLN . . . -72.33 -19.82 61.58 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.217 0.532 . . . . 0.0 110.381 179.501 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 27' ' ' VAL . . . . . 0.415 ' CG1' ' HA ' ' A' ' 112' ' ' GLN . 3.1 t -89.56 -39.1 12.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.368 -178.013 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 57.2 m-80 -67.86 -17.61 64.55 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.031 0.382 . . . . 0.0 112.031 -175.502 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 12.8 ptm180 -96.06 11.16 35.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.682 0.277 . . . . 0.0 111.246 -177.517 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . 0.421 HD11 ' HB3' ' B' ' 81' ' ' LEU . 86.8 mt -81.17 -23.65 38.09 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.065 0.46 . . . . 0.0 110.658 -179.805 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 8.5 p -75.39 -3.15 32.02 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.499 0.666 . . . . 0.0 110.265 177.204 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 48.3 t -84.94 154.19 22.35 Favored 'General case' 0 N--CA 1.447 -0.624 0 CA-C-N 115.16 -0.927 . . . . 0.0 110.002 178.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.94 -22.36 62.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.148 -179.292 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -49.52 -58.27 5.51 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.286 -0.87 . . . . 0.0 110.944 178.691 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 35' ' ' ALA . . . . . 0.655 ' O ' HG23 ' B' ' 39' ' ' VAL . . . -63.3 -54.02 43.62 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.276 -0.875 . . . . 0.0 110.666 179.279 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.11 -34.05 20.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.07 -0.514 . . . . 0.0 112.344 -174.59 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 20.1 m -74.86 -20.9 59.54 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 111.852 0.316 . . . . 0.0 111.852 -177.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 38' ' ' ARG . . . . . 0.467 ' HD2' ' OE1' ' B' ' 82' ' ' GLU . 59.3 mtt180 -97.65 -44.66 6.68 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.768 0.794 . . . . 0.0 109.419 -179.087 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 39' ' ' VAL . . . . . 0.655 HG23 ' O ' ' B' ' 35' ' ' ALA . 21.4 t -62.45 -44.19 99.03 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.827 0 CA-C-N 114.349 -1.296 . . . . 0.0 111.12 -175.787 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 40' ' ' SER . . . . . 0.435 ' O ' HG12 ' B' ' 43' ' ' ILE . 78.2 p -68.93 -19.59 64.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.312 0.577 . . . . 0.0 110.868 -179.884 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 43.4 t -79.4 -10.07 59.73 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.44 -179.258 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 43.3 m-80 -124.29 -2.44 8.06 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.643 -175.202 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 43' ' ' ILE . . . . . 0.509 HG13 ' N ' ' B' ' 44' ' ' ALA . 4.6 pt -61.77 -41.54 90.98 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-O 120.787 0.327 . . . . 0.0 110.662 177.856 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 44' ' ' ALA . . . . . 0.509 ' N ' HG13 ' B' ' 43' ' ' ILE . . . -78.54 -11.14 59.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.022 0.439 . . . . 0.0 110.939 -177.119 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -84.28 -52.77 5.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.056 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 45.0 mt -64.64 -35.2 74.11 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.344 179.413 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . 0.434 ' HB2' HD11 ' A' ' 96' ' ' ILE . . . -64.84 -20.17 66.26 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.575 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 22.7 t -97.17 -27.95 14.32 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.451 -174.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -115.15 -17.63 6.66 Favored Glycine 0 C--N 1.331 0.285 0 C-N-CA 120.454 -0.879 . . . . 0.0 113.521 -175.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 75.57 -80.08 1.05 Allowed Glycine 0 N--CA 1.448 -0.524 0 N-CA-C 111.613 -0.595 . . . . 0.0 111.613 179.655 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -118.7 -15.06 9.52 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-N 115.096 -0.552 . . . . 0.0 110.21 178.424 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 27.2 t -71.88 -17.15 62.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.833 -0.621 . . . . 0.0 109.901 -179.549 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -94.49 -13.36 26.22 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.341 -178.108 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 54' ' ' LEU . . . . . 0.454 ' N ' ' HD2' ' B' ' 55' ' ' PRO . 32.1 mt -54.08 -57.69 16.91 Favored Pre-proline 0 CA--C 1.534 0.352 0 N-CA-C 112.014 0.376 . . . . 0.0 112.014 -176.03 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 55' ' ' PRO . . . . . 0.454 ' HD2' ' N ' ' B' ' 54' ' ' LEU . 18.5 Cg_endo -58.91 -26.11 79.69 Favored 'Trans proline' 0 C--N 1.355 0.87 0 C-N-CA 122.407 2.071 . . . . 0.0 112.385 -177.661 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 50.6 m -86.56 -42.83 13.18 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.986 -178.685 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 57.3 t -74.11 -39.61 50.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.383 -173.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 58' ' ' ILE . . . . . 0.428 HG12 ' HG ' ' B' ' 83' ' ' LEU . 50.1 mt -61.04 -39.43 82.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.063 176.111 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 31.0 t -68.87 -33.17 73.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.942 0.401 . . . . 0.0 110.185 179.551 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 95.8 m-20 -64.41 -54.0 39.69 Favored 'General case' 0 CA--C 1.519 -0.249 0 CA-C-O 121.277 0.56 . . . . 0.0 110.53 178.225 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . 0.469 ' O ' HG23 ' B' ' 65' ' ' VAL . 58.9 mt -70.28 -45.48 75.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-N 115.434 -0.803 . . . . 0.0 111.452 -176.164 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 62' ' ' TYR . . . . . 0.535 ' O ' HG21 ' B' ' 66' ' ' VAL . 46.0 t80 -54.65 -55.28 31.25 Favored 'General case' 0 C--N 1.331 -0.198 0 O-C-N 123.171 0.294 . . . . 0.0 110.874 -178.129 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 22.1 t -61.3 -32.6 72.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.914 0.388 . . . . 0.0 110.307 -178.622 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -66.66 -41.07 94.1 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.812 -0.709 . . . . 0.0 111.803 179.44 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 65' ' ' VAL . . . . . 0.469 HG23 ' O ' ' B' ' 61' ' ' ILE . 48.7 t -69.91 -41.87 79.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 120.798 0.332 . . . . 0.0 110.454 177.604 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 66' ' ' VAL . . . . . 0.535 HG21 ' O ' ' B' ' 62' ' ' TYR . 87.3 t -60.37 -40.07 82.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.859 179.71 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -72.86 -5.81 40.78 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.729 -179.735 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 21.0 t -86.42 -15.73 39.4 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.535 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 98.36 33.41 5.68 Favored Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.609 -0.805 . . . . 0.0 112.268 -179.417 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . 0.441 HG12 HG12 ' B' ' 65' ' ' VAL . 12.3 p -86.89 160.94 2.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 N-CA-C 110.195 -0.298 . . . . 0.0 110.195 178.364 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 22.8 t -66.06 147.9 52.63 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 173.739 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 9.9 m -52.17 -60.16 3.53 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 113.267 0.839 . . . . 0.0 113.267 -171.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -82.14 -13.5 57.12 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.441 -0.503 . . . . 0.0 110.657 -174.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 74' ' ' GLU . . . . . 0.463 ' HA ' ' CE1' ' B' ' 23' ' ' TYR . 36.1 tt0 -74.35 -29.95 61.8 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 175.716 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -57.75 -36.72 72.47 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 115.089 -0.96 . . . . 0.0 110.819 177.199 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 76' ' ' LEU . . . . . 0.42 HD21 ' HB3' ' B' ' 118' ' ' TYR . 3.0 tm? -57.07 -51.74 68.08 Favored 'General case' 0 CA--C 1.518 -0.251 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.145 178.557 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 77' ' ' ILE . . . . . 0.703 ' O ' ' HG ' ' B' ' 81' ' ' LEU . 33.9 mm -62.6 -54.2 37.13 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-N 115.899 -0.592 . . . . 0.0 111.149 -177.064 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 78' ' ' GLN . . . . . 0.444 ' HB2' ' HB2' ' B' ' 26' ' ' ALA . 19.4 tt0 -57.78 -47.43 82.56 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 121.045 -0.262 . . . . 0.0 111.161 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -59.29 -41.42 88.93 Favored 'General case' 0 CA--C 1.517 -0.319 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.487 179.552 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 80' ' ' LEU . . . . . 0.547 ' O ' HD13 ' B' ' 84' ' ' LEU . 2.1 mm? -62.9 -50.66 69.98 Favored 'General case' 0 N--CA 1.446 -0.632 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.785 176.467 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . 0.703 ' HG ' ' O ' ' B' ' 77' ' ' ILE . 38.7 mt -54.62 -45.3 73.67 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.853 0.359 . . . . 0.0 111.19 -178.701 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 82' ' ' GLU . . . . . 0.467 ' OE1' ' HD2' ' B' ' 38' ' ' ARG . 59.2 mt-10 -66.57 -35.15 79.51 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.736 177.718 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 83' ' ' LEU . . . . . 0.428 ' HG ' HG12 ' B' ' 58' ' ' ILE . 3.4 tm? -64.37 -45.88 85.8 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.133 -0.485 . . . . 0.0 109.963 174.577 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 84' ' ' LEU . . . . . 0.547 HD13 ' O ' ' B' ' 80' ' ' LEU . 10.9 mp -62.09 -14.87 40.77 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.403 -0.817 . . . . 0.0 111.556 -179.733 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 42.6 m -93.53 -33.48 13.75 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.916 0.388 . . . . 0.0 111.399 -175.694 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -68.32 -41.12 81.28 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.207 0.527 . . . . 0.0 111.027 -176.012 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 87' ' ' LEU . . . . . 0.44 HD12 ' N ' ' B' ' 88' ' ' VAL . 1.0 OUTLIER -83.78 -18.0 39.21 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 112.904 0.705 . . . . 0.0 112.904 -172.086 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 88' ' ' VAL . . . . . 0.44 ' N ' HD12 ' B' ' 87' ' ' LEU . 18.5 m -89.76 -21.68 6.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 C-N-CA 120.204 -0.599 . . . . 0.0 110.47 177.034 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 89' ' ' HIS . . . . . . . . . . . . . 71.1 t60 -72.28 -37.16 69.09 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.155 177.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 90' ' ' VAL . . . . . . . . . . . . . 33.2 m -64.14 -27.39 42.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 C-N-CA 120.797 -0.361 . . . . 0.0 111.814 -175.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 91' ' ' LEU . . . . . 0.444 ' HA ' ' HB1' ' B' ' 94' ' ' ALA . 3.0 mm? -66.45 -20.14 65.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.659 0.266 . . . . 0.0 110.949 179.464 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 18.9 t -64.51 -14.89 59.57 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.96 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 22.7 t -142.95 23.14 1.9 Allowed 'General case' 0 C--O 1.236 0.361 0 CA-C-O 121.484 0.659 . . . . 0.0 109.978 176.067 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 94' ' ' ALA . . . . . 0.444 ' HB1' ' HA ' ' B' ' 91' ' ' LEU . . . -106.23 98.52 8.19 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.861 177.068 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 19.8 m -67.92 85.06 0.22 Allowed 'General case' 0 N--CA 1.428 -1.529 0 CA-C-N 115.921 -0.582 . . . . 0.0 111.096 178.533 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 96' ' ' ILE . . . . . 0.507 ' CD1' ' HB ' ' A' ' 90' ' ' VAL . 19.7 tt -73.71 139.99 18.47 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.492 0 CA-C-O 121.019 0.438 . . . . 0.0 111.051 177.374 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 97' ' ' GLY . . . . . . . . . . . . . . . -97.85 -101.59 2.15 Favored Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.756 -179.241 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 98' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -117.3 109.86 17.36 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.669 0.271 . . . . 0.0 111.096 -176.113 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 99' ' ' VAL . . . . . 0.404 ' CG1' HD11 ' B' ' 96' ' ' ILE . 3.3 m -108.41 149.79 11.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.489 174.537 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 100' ' ' SER . . . . . . . . . . . . . 49.9 m -140.92 168.15 20.47 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.034 -179.326 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 101' ' ' SER . . . . . 0.458 ' CB ' ' HB2' ' A' ' 40' ' ' SER . 10.8 p -70.33 -6.52 35.79 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 112.501 0.556 . . . . 0.0 112.501 -174.825 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 102' ' ' VAL . . . . . 0.414 HG11 ' O ' ' B' ' 102' ' ' VAL . 7.3 p -76.65 106.74 6.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 121.706 0.765 . . . . 0.0 111.59 -176.05 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . 116.83 -11.01 15.53 Favored Glycine 0 N--CA 1.449 -0.46 0 CA-C-N 115.471 -0.786 . . . . 0.0 113.627 172.435 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 104' ' ' VAL . . . . . 0.403 ' O ' HD13 ' B' ' 108' ' ' LEU . 26.1 t -57.75 -34.9 49.03 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.258 0 CA-C-O 120.97 0.414 . . . . 0.0 110.328 178.55 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -53.42 -38.51 63.54 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 114.99 -1.005 . . . . 0.0 110.364 178.408 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 5.8 m -80.57 -37.95 30.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.435 -0.802 . . . . 0.0 111.506 -176.39 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 24.1 m -60.82 -35.34 76.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.195 0.521 . . . . 0.0 110.258 179.295 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 108' ' ' LEU . . . . . 0.484 ' O ' HG13 ' B' ' 111' ' ' VAL . 3.1 mt -62.53 -22.67 66.48 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.892 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 109' ' ' ASN . . . . . 0.484 HD21 ' N ' ' B' ' 109' ' ' ASN . 0.8 OUTLIER -70.22 -27.92 64.86 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.034 0.445 . . . . 0.0 110.181 178.55 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 110' ' ' VAL . . . . . . . . . . . . . 18.8 t -84.78 -37.22 12.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.138 -175.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 111' ' ' VAL . . . . . 0.507 ' O ' HG11 ' B' ' 115' ' ' VAL . 7.5 p -62.12 -31.82 52.62 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.359 0 CA-C-O 121.222 0.534 . . . . 0.0 110.27 -178.325 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 112' ' ' GLN . . . . . 0.414 ' HG3' ' O ' ' B' ' 108' ' ' LEU . 25.6 mt-30 -66.76 -25.6 66.57 Favored 'General case' 0 CA--C 1.521 -0.155 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.518 179.751 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 113' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -80.4 -32.87 37.42 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.175 -0.921 . . . . 0.0 111.125 -175.151 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 5.8 m -85.04 -37.25 20.57 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.619 -0.719 . . . . 0.0 112.031 -172.236 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 115' ' ' VAL . . . . . 0.507 HG11 ' O ' ' B' ' 111' ' ' VAL . 14.8 p -111.93 -20.15 6.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-O 120.761 0.315 . . . . 0.0 111.75 -174.058 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 116' ' ' GLY . . . . . . . . . . . . . . . -61.83 -23.38 63.29 Favored Glycine 0 C--N 1.33 0.227 0 C-N-CA 121.26 -0.495 . . . . 0.0 113.246 -175.734 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.49 1.82 50.13 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.579 0.228 . . . . 0.0 111.43 -178.255 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 118' ' ' TYR . . . . . 0.42 ' HB3' HD21 ' B' ' 76' ' ' LEU . 86.3 m-85 -114.32 -31.51 6.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.74 0.305 . . . . 0.0 111.073 178.409 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 119' ' ' VAL . . . . . 0.451 HG21 HG22 ' A' ' 27' ' ' VAL . 27.2 m -83.31 -2.33 6.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.421 179.48 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.976 0 CA-C-O 118.072 -1.404 . . . . 0.0 110.894 177.869 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.444 ' HB3' ' O ' ' B' ' 119' ' ' VAL . 24.9 m . . . . . 0 CA--C 1.516 -0.36 0 CA-C-O 120.699 0.285 . . . . 0.0 110.621 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.41 ' OH ' ' HB3' ' A' ' 73' ' ' ASN . 0.2 OUTLIER -149.48 131.77 15.55 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.268 -177.728 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -96.76 -17.15 20.47 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.574 179.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.15 -35.24 83.36 Favored Glycine 0 C--N 1.332 0.34 0 C-N-CA 120.865 -0.683 . . . . 0.0 111.981 -177.519 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.484 ' HB2' ' HB2' ' A' ' 78' ' ' GLN . . . -63.67 -24.44 67.79 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.222 -0.489 . . . . 0.0 111.292 177.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.494 HG23 ' CD1' ' A' ' 81' ' ' LEU . 2.6 t -91.4 -42.89 13.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.072 -172.045 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 33.6 m-80 -63.64 -26.42 68.67 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 120.916 0.388 . . . . 0.0 111.001 -175.697 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 12.7 ptm180 -86.58 1.92 50.01 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.782 -175.792 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 93.3 mt -73.19 -24.14 60.5 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.948 0.404 . . . . 0.0 110.996 -179.055 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 17.0 p -80.6 1.01 31.54 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.142 -179.032 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 22.8 m -91.12 169.71 10.62 Favored 'General case' 0 N--CA 1.442 -0.85 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.362 177.42 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.38 -18.35 61.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.796 -179.53 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -53.72 -61.86 2.03 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.946 -178.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.513 ' O ' HG23 ' A' ' 39' ' ' VAL . . . -68.12 -49.34 61.72 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.268 -178.602 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -51.01 -35.48 34.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 112.082 -174.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 21.7 t -78.86 -21.67 47.19 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.919 -177.316 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.435 ' HD2' ' OE1' ' A' ' 82' ' ' GLU . 65.0 mtt180 -95.45 -44.06 7.71 Favored 'General case' 0 CA--C 1.515 -0.392 0 CA-C-O 121.925 0.869 . . . . 0.0 109.42 -177.808 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.513 HG23 ' O ' ' A' ' 35' ' ' ALA . 59.2 t -63.55 -38.19 81.59 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.813 0 CA-C-N 114.16 -1.382 . . . . 0.0 110.927 -177.196 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.473 ' O ' HG12 ' A' ' 43' ' ' ILE . 79.5 p -69.35 -20.08 63.85 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.107 0.48 . . . . 0.0 110.921 179.698 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 39.5 t -85.2 -7.92 58.81 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.639 -177.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 41.3 m-80 -122.69 -1.97 8.91 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.524 -175.335 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.517 HG13 ' N ' ' A' ' 44' ' ' ALA . 5.5 pt -61.77 -42.19 93.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.931 0.396 . . . . 0.0 111.069 177.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.517 ' N ' HG13 ' A' ' 43' ' ' ILE . . . -76.54 -16.41 59.63 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.012 0.434 . . . . 0.0 110.663 -176.091 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -79.66 -52.37 8.05 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.185 -178.752 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.406 HG22 ' HB3' ' A' ' 87' ' ' LEU . 34.6 mt -66.36 -32.87 60.02 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.246 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.221 179.633 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.431 ' HB3' HD13 ' B' ' 96' ' ' ILE . . . -64.29 -25.34 68.01 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.676 179.078 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 33.4 t -91.65 -38.54 12.38 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.033 -178.225 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -92.97 -31.19 8.72 Favored Glycine 0 CA--C 1.518 0.265 0 C-N-CA 120.737 -0.745 . . . . 0.0 113.525 -175.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 79.14 -73.06 2.39 Favored Glycine 0 N--CA 1.449 -0.447 0 N-CA-C 111.417 -0.673 . . . . 0.0 111.417 -177.058 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -122.44 -25.77 4.72 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.955 0.407 . . . . 0.0 110.879 -179.728 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 11.1 p -70.43 -15.9 62.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.186 0.517 . . . . 0.0 110.806 -178.576 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -88.59 -16.02 33.58 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.759 -178.207 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.421 ' N ' ' HD2' ' A' ' 55' ' ' PRO . 48.6 mt -55.28 -57.77 18.55 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.783 -177.53 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.421 ' HD2' ' N ' ' A' ' 54' ' ' LEU . 19.5 Cg_endo -60.79 -23.9 77.67 Favored 'Trans proline' 0 C--N 1.354 0.817 0 C-N-CA 121.991 1.794 . . . . 0.0 112.535 -178.487 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 30.3 m -85.6 -44.09 12.92 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.782 0.325 . . . . 0.0 111.186 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 76.3 t -76.65 -38.31 30.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.723 -172.628 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.472 HG12 ' HG ' ' A' ' 83' ' ' LEU . 59.2 mt -59.17 -39.54 78.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.022 176.368 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 35.4 t -68.97 -36.96 78.48 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.073 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -61.1 -54.22 47.39 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-O 121.257 0.551 . . . . 0.0 110.606 178.176 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.452 ' O ' HG22 ' A' ' 65' ' ' VAL . 60.7 mt -68.16 -45.18 83.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 115.446 -0.797 . . . . 0.0 111.386 -176.749 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.45 ' O ' HG22 ' A' ' 66' ' ' VAL . 54.5 t80 -54.66 -49.22 71.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.792 0.33 . . . . 0.0 110.73 -177.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 19.7 m -60.09 -34.35 73.34 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.813 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -71.35 -41.3 59.12 Favored Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 120.611 -0.804 . . . . 0.0 111.464 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.462 HG11 HG12 ' A' ' 70' ' ' VAL . 61.5 t -65.06 -47.7 86.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-O 120.987 0.422 . . . . 0.0 110.909 178.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.45 HG22 ' O ' ' A' ' 62' ' ' TYR . 91.0 t -60.84 -40.75 86.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.889 -179.222 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.76 -19.1 65.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.9 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 67.5 m -74.21 -25.16 59.51 Favored 'General case' 0 N--CA 1.444 -0.755 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.752 -179.086 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 106.34 37.08 2.53 Favored Glycine 0 N--CA 1.453 -0.185 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.278 -177.446 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.462 HG12 HG11 ' A' ' 65' ' ' VAL . 11.6 p -89.91 162.4 2.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 N-CA-C 109.908 -0.405 . . . . 0.0 109.908 178.136 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 25.7 t -67.42 146.18 54.27 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.568 -0.531 . . . . 0.0 109.568 174.113 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 43.0 m -53.59 -46.35 70.32 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.606 0.595 . . . . 0.0 112.606 -173.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . 0.41 ' HB3' ' OH ' ' A' ' 23' ' ' TYR . 2.0 t30 -85.44 -28.29 25.16 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.254 -0.578 . . . . 0.0 110.768 -175.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -68.75 -27.4 65.88 Favored 'General case' 0 C--O 1.234 0.254 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 177.339 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -55.98 -38.82 70.93 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.103 176.513 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.454 ' O ' HD23 ' A' ' 80' ' ' LEU . 3.0 tm? -57.19 -52.51 65.03 Favored 'General case' 0 CA--C 1.518 -0.277 0 CA-C-O 121.3 0.571 . . . . 0.0 109.525 177.098 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.599 ' O ' ' HG ' ' A' ' 81' ' ' LEU . 36.1 mm -60.67 -54.17 38.91 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-N 115.156 -0.929 . . . . 0.0 111.018 -177.401 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . 0.484 ' HB2' ' HB2' ' A' ' 26' ' ' ALA . 24.9 tt0 -58.24 -46.28 86.24 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.552 -0.295 . . . . 0.0 111.202 -179.558 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.2 -42.16 98.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.795 0.331 . . . . 0.0 110.536 -179.202 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.685 ' O ' ' HG ' ' A' ' 84' ' ' LEU . 3.6 mm? -65.44 -43.18 91.23 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.036 177.662 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.599 ' HG ' ' O ' ' A' ' 77' ' ' ILE . 14.8 mt -66.69 -41.55 87.89 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.626 0.25 . . . . 0.0 111.43 -177.119 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.435 ' OE1' ' HD2' ' A' ' 38' ' ' ARG . 54.0 mt-10 -64.34 -35.87 82.28 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.109 0.48 . . . . 0.0 110.281 173.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.472 ' HG ' HG12 ' A' ' 58' ' ' ILE . 3.4 tm? -62.48 -43.73 98.09 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.901 175.374 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.685 ' HG ' ' O ' ' A' ' 80' ' ' LEU . 13.2 mt -64.77 -15.28 61.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.136 -177.769 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 34.9 m -91.77 -32.74 15.27 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 120.918 0.39 . . . . 0.0 110.826 -174.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.417 ' O ' HG11 ' A' ' 90' ' ' VAL . . . -68.32 -40.11 81.75 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.025 -176.273 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.424 ' O ' HG21 ' A' ' 90' ' ' VAL . 1.2 pp -84.9 -16.6 40.58 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 112.944 0.72 . . . . 0.0 112.944 -172.298 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.417 ' N ' HD13 ' A' ' 87' ' ' LEU . 16.9 m -93.37 -22.45 5.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 C-N-CA 120.197 -0.601 . . . . 0.0 110.613 176.213 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 74.8 t60 -69.55 -34.39 74.14 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.248 -0.433 . . . . 0.0 109.915 177.141 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.424 HG21 ' O ' ' A' ' 87' ' ' LEU . 26.7 m -65.31 -26.64 40.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.432 -177.116 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.452 ' HA ' ' HB2' ' A' ' 94' ' ' ALA . 3.1 mm? -63.94 -19.6 65.25 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-O 120.876 0.369 . . . . 0.0 110.923 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 25.7 t -64.82 -23.17 67.15 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.02 179.085 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 8.1 t -131.99 14.96 4.74 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.81 0.814 . . . . 0.0 110.066 178.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . 0.452 ' HB2' ' HA ' ' A' ' 91' ' ' LEU . . . -103.25 96.09 6.54 Favored 'General case' 0 N--CA 1.445 -0.684 0 CA-C-N 115.603 -0.726 . . . . 0.0 109.683 177.868 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 10.6 t -70.67 85.79 0.65 Allowed 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.076 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.417 HD12 ' HB1' ' B' ' 47' ' ' ALA . 15.4 tt -69.65 135.71 27.71 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.465 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.954 179.113 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -85.82 -90.78 0.89 Allowed Glycine 0 N--CA 1.447 -0.631 0 C-N-CA 120.856 -0.688 . . . . 0.0 112.212 -179.02 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 8.8 t30 -142.73 125.89 16.42 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 110.259 -0.274 . . . . 0.0 110.259 179.266 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 8.9 m -107.04 143.18 18.14 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.749 179.57 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 49.0 m -105.42 141.37 37.04 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.509 -179.189 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 44.9 m -81.69 54.5 2.41 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.265 -177.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 7.1 p -150.83 133.62 6.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-O 120.873 0.368 . . . . 0.0 110.729 -179.343 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 101.37 -0.66 53.69 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.871 -0.681 . . . . 0.0 112.25 178.502 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 20.4 t -64.41 -30.2 49.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.663 0.268 . . . . 0.0 110.506 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -49.74 -46.55 50.57 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-O 121.524 0.678 . . . . 0.0 109.834 175.699 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 15.5 m -66.66 -37.45 84.82 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.429 -0.805 . . . . 0.0 111.532 -178.806 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 22.3 m -64.49 -40.77 96.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.213 0.53 . . . . 0.0 110.458 179.054 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.587 ' O ' HG11 ' A' ' 111' ' ' VAL . 4.0 mt -60.36 -38.54 84.17 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.287 -0.869 . . . . 0.0 111.198 178.268 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 14.7 m-80 -59.64 -26.31 65.41 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.489 177.462 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 39.9 t -87.55 -37.92 11.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.359 -178.098 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.587 HG11 ' O ' ' A' ' 108' ' ' LEU . 9.9 p -63.35 -23.7 33.99 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.243 0 CA-C-O 121.472 0.654 . . . . 0.0 110.557 -178.249 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . 0.546 ' HG3' ' O ' ' A' ' 108' ' ' LEU . 21.3 mt-30 -70.58 -19.39 62.87 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.926 179.112 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -84.3 -32.58 24.28 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.063 -175.52 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 11.7 p -82.79 -45.48 14.3 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.921 -173.169 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . 0.432 HG13 HD21 ' B' ' 81' ' ' LEU . 14.9 p -104.24 -18.66 6.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-O 121.067 0.461 . . . . 0.0 110.918 -174.554 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -61.11 -22.19 60.25 Favored Glycine 0 N--CA 1.451 -0.345 0 CA-C-N 115.814 -0.63 . . . . 0.0 112.869 -178.13 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.34 6.26 43.83 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.736 0.303 . . . . 0.0 111.127 -178.746 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . 0.426 ' HB3' HD23 ' A' ' 76' ' ' LEU . 73.9 m-85 -117.91 -34.17 4.25 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.258 0.552 . . . . 0.0 109.868 176.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . 0.421 ' O ' ' HB3' ' B' ' 22' ' ' SER . 33.7 m . . . . . 0 C--N 1.326 -0.443 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.593 177.535 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 22' ' ' SER . . . . . 0.421 ' HB3' ' O ' ' A' ' 119' ' ' VAL . 6.0 m . . . . . 0 N--CA 1.448 -0.562 0 CA-C-O 120.91 0.386 . . . . 0.0 110.498 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -147.8 121.58 9.29 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -79.68 -20.19 47.17 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.455 -177.078 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -69.78 -20.33 75.82 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.37 -0.919 . . . . 0.0 112.072 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -80.75 4.12 20.01 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.526 0.679 . . . . 0.0 110.024 175.122 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 27' ' ' VAL . . . . . 0.442 HG23 ' CD1' ' B' ' 81' ' ' LEU . 2.6 t -117.71 -42.78 2.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.139 -0.937 . . . . 0.0 109.931 179.846 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 63.9 m-20 -69.74 -11.77 61.11 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.241 -0.89 . . . . 0.0 111.461 -175.082 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 76.3 ttt180 -92.99 1.87 57.09 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-O 121.348 0.594 . . . . 0.0 110.404 179.452 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . 0.433 HD13 ' HB3' ' B' ' 81' ' ' LEU . 68.2 mt -79.16 -29.58 43.12 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.253 179.473 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 3.0 p -78.27 7.41 6.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.441 0.638 . . . . 0.0 110.689 178.791 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 67.5 m -91.04 152.55 20.61 Favored 'General case' 0 N--CA 1.437 -1.077 0 CA-C-N 115.237 -0.892 . . . . 0.0 109.637 174.419 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.65 -14.99 62.32 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.972 0.415 . . . . 0.0 111.047 -178.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -57.7 -56.59 19.91 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.856 177.585 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 35' ' ' ALA . . . . . 0.591 ' O ' HG21 ' B' ' 39' ' ' VAL . . . -57.89 -52.0 67.3 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.56 -179.808 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -52.13 -31.0 29.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.395 -178.567 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 10.8 t -74.12 -27.31 60.8 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.563 -178.526 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 38' ' ' ARG . . . . . 0.41 ' HD2' ' OE1' ' B' ' 82' ' ' GLU . 65.1 mtt180 -96.39 -45.45 6.78 Favored 'General case' 0 CA--C 1.516 -0.342 0 CA-C-O 121.931 0.872 . . . . 0.0 109.888 -177.038 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 39' ' ' VAL . . . . . 0.591 HG21 ' O ' ' B' ' 35' ' ' ALA . 34.7 t -63.36 -36.9 77.98 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.825 0 CA-C-N 114.26 -1.336 . . . . 0.0 110.975 -175.448 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 40' ' ' SER . . . . . 0.451 ' O ' HG12 ' B' ' 43' ' ' ILE . 91.9 p -72.89 -12.24 60.89 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.97 0.414 . . . . 0.0 111.273 -179.029 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 9.8 t -89.55 -15.94 31.79 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.385 0.612 . . . . 0.0 110.034 -179.008 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 45.3 m-80 -112.43 -5.87 14.05 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.087 -174.168 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 43' ' ' ILE . . . . . 0.506 HG13 ' N ' ' B' ' 44' ' ' ALA . 5.3 pt -58.5 -42.19 83.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.972 177.725 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 44' ' ' ALA . . . . . 0.506 ' N ' HG13 ' B' ' 43' ' ' ILE . . . -79.21 -12.95 59.97 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.108 0.48 . . . . 0.0 110.657 -176.255 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -82.06 -49.91 9.67 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.998 -179.598 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 41.4 mt -65.62 -35.7 75.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.158 178.393 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . 0.417 ' HB1' HD12 ' A' ' 96' ' ' ILE . . . -62.72 -23.74 67.32 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.395 178.302 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 13.2 t -92.3 -38.02 12.31 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.207 -176.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -99.01 -21.82 14.75 Favored Glycine 0 CA--C 1.519 0.336 0 C-N-CA 120.399 -0.905 . . . . 0.0 113.457 -175.741 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 77.52 -75.79 1.77 Allowed Glycine 0 N--CA 1.448 -0.555 0 N-CA-C 111.695 -0.562 . . . . 0.0 111.695 -179.552 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -122.87 -27.45 4.27 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.163 0.506 . . . . 0.0 110.587 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 9.8 m -75.6 -3.2 33.01 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.725 -177.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -92.58 -18.01 23.66 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.431 177.461 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 54' ' ' LEU . . . . . 0.463 ' N ' ' HD2' ' B' ' 55' ' ' PRO . 47.5 mt -55.23 -56.34 29.66 Favored Pre-proline 0 CA--C 1.533 0.318 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.9 -177.478 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 55' ' ' PRO . . . . . 0.463 ' HD2' ' N ' ' B' ' 54' ' ' LEU . 14.7 Cg_endo -59.96 -23.2 72.03 Favored 'Trans proline' 0 C--N 1.353 0.798 0 C-N-CA 122.276 1.984 . . . . 0.0 112.621 -177.524 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 20.8 m -89.24 -38.75 14.0 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.029 0.442 . . . . 0.0 110.945 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 54.1 t -80.07 -42.16 21.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.838 -173.46 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 58' ' ' ILE . . . . . 0.515 HG12 ' HG ' ' B' ' 83' ' ' LEU . 58.1 mt -59.12 -37.39 67.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.862 176.818 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 15.8 t -68.64 -38.92 80.86 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.969 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -58.54 -53.51 57.54 Favored 'General case' 0 CA--C 1.517 -0.325 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.727 177.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 50.5 mt -70.58 -43.26 77.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.463 -175.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 62' ' ' TYR . . . . . . . . . . . . . 59.3 t80 -56.31 -48.67 76.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.811 0.338 . . . . 0.0 110.672 -178.427 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 19.7 m -60.42 -30.51 69.67 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.838 179.328 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -73.94 -42.62 36.99 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.956 -0.64 . . . . 0.0 111.692 179.351 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 65' ' ' VAL . . . . . 0.435 HG11 HG11 ' B' ' 70' ' ' VAL . 63.7 t -68.8 -44.36 82.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 120.813 0.34 . . . . 0.0 110.855 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 77.3 t -60.26 -37.19 72.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-O 120.843 0.354 . . . . 0.0 110.806 179.649 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.57 -7.06 23.17 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.818 178.146 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 40.3 t -83.13 -9.66 59.08 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.897 0.38 . . . . 0.0 110.243 177.352 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 91.23 30.26 11.24 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.85 -0.69 . . . . 0.0 112.217 178.133 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . 0.435 HG11 HG11 ' B' ' 65' ' ' VAL . 11.6 p -97.88 158.58 3.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-O 120.595 0.236 . . . . 0.0 110.458 -179.079 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 35.0 t -67.53 144.55 55.58 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 110.085 -0.339 . . . . 0.0 110.085 175.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 4.0 m -55.5 -46.75 76.93 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 112.323 0.49 . . . . 0.0 112.323 -175.053 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -68.72 -34.51 75.75 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.931 0.396 . . . . 0.0 110.205 -175.34 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -77.05 -32.22 56.76 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.074 0.464 . . . . 0.0 109.923 178.701 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -62.39 -37.28 85.14 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.91 176.694 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 76' ' ' LEU . . . . . 0.465 ' O ' ' HB2' ' B' ' 80' ' ' LEU . 2.7 tm? -55.35 -44.38 75.91 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.097 -0.501 . . . . 0.0 109.953 178.313 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 77' ' ' ILE . . . . . 0.6 ' O ' ' HG ' ' B' ' 81' ' ' LEU . 46.6 mm -67.72 -55.46 16.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.89 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 78' ' ' GLN . . . . . . . . . . . . . 41.4 tp60 -53.42 -50.16 65.8 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-O 121.037 0.446 . . . . 0.0 111.058 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.31 -37.01 85.81 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.115 -177.05 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 80' ' ' LEU . . . . . 0.589 ' O ' HD21 ' B' ' 84' ' ' LEU . 4.3 mt -70.18 -39.3 75.34 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.928 178.841 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . 0.6 ' HG ' ' O ' ' B' ' 77' ' ' ILE . 23.6 mt -69.09 -37.29 78.35 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-O 120.727 0.299 . . . . 0.0 110.845 -179.235 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 82' ' ' GLU . . . . . 0.41 ' OE1' ' HD2' ' B' ' 38' ' ' ARG . 44.8 mt-10 -62.35 -34.77 77.31 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.15 0.5 . . . . 0.0 109.899 170.26 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 83' ' ' LEU . . . . . 0.515 ' HG ' HG12 ' B' ' 58' ' ' ILE . 3.4 tm? -68.64 -42.47 77.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.111 0.482 . . . . 0.0 110.063 178.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 84' ' ' LEU . . . . . 0.589 HD21 ' O ' ' B' ' 80' ' ' LEU . 3.7 mm? -66.87 -8.32 28.23 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.646 -0.706 . . . . 0.0 112.379 -176.78 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 37.9 t -100.53 -22.54 14.96 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 120.647 -0.421 . . . . 0.0 110.736 -179.426 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -71.88 -43.69 65.0 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.289 0.566 . . . . 0.0 110.387 -178.018 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 87' ' ' LEU . . . . . 0.485 HD13 ' N ' ' B' ' 88' ' ' VAL . 1.0 OUTLIER -82.29 -20.53 37.31 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.34 -0.845 . . . . 0.0 112.937 -171.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 88' ' ' VAL . . . . . 0.485 ' N ' HD13 ' B' ' 87' ' ' LEU . 22.5 m -90.47 -22.3 6.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 C-N-CA 120.253 -0.579 . . . . 0.0 110.514 176.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 89' ' ' HIS . . . . . . . . . . . . . 64.7 t60 -68.43 -38.51 81.26 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.99 178.087 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 90' ' ' VAL . . . . . 0.402 ' HB ' ' CD1' ' A' ' 96' ' ' ILE . 31.5 m -65.97 -27.63 41.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.77 -175.462 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 91' ' ' LEU . . . . . 0.433 ' HA ' ' HB2' ' B' ' 94' ' ' ALA . 2.6 mm? -62.96 -21.94 66.45 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.611 -0.268 . . . . 0.0 111.122 -179.396 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 22.7 t -65.06 -26.59 68.31 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.808 0.337 . . . . 0.0 110.646 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 21.8 m -117.58 7.64 12.69 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.401 0.619 . . . . 0.0 110.344 179.412 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 94' ' ' ALA . . . . . 0.433 ' HB2' ' HA ' ' B' ' 91' ' ' LEU . . . -106.06 104.01 13.62 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.824 -177.852 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 26.6 t -80.94 92.92 6.23 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.118 0.485 . . . . 0.0 110.077 178.56 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 96' ' ' ILE . . . . . 0.447 HD12 ' CG1' ' B' ' 99' ' ' VAL . 13.6 tt -69.02 146.21 12.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.25 178.746 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 97' ' ' GLY . . . . . . . . . . . . . . . -95.05 -94.81 1.69 Allowed Glycine 0 N--CA 1.448 -0.541 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.243 178.428 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 98' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -137.08 115.69 12.03 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.805 0.336 . . . . 0.0 110.793 179.558 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 99' ' ' VAL . . . . . 0.447 ' CG1' HD12 ' B' ' 96' ' ' ILE . 2.6 m -98.3 131.66 44.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-O 121.12 0.486 . . . . 0.0 111.377 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 100' ' ' SER . . . . . . . . . . . . . 18.2 m -91.45 152.63 20.29 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.944 178.085 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 11.4 p -84.24 7.02 20.5 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.111 0.481 . . . . 0.0 111.375 -179.292 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 44.9 t -104.43 117.07 49.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.428 -176.507 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . 124.97 -10.59 7.86 Favored Glycine 0 N--CA 1.45 -0.371 0 CA-C-N 115.878 -0.601 . . . . 0.0 112.211 177.658 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 104' ' ' VAL . . . . . . . . . . . . . 24.1 t -59.51 -33.05 50.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.848 0.356 . . . . 0.0 110.15 179.01 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -49.37 -46.43 47.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.262 -0.881 . . . . 0.0 110.762 177.012 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 44.7 m -75.39 -37.95 60.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.514 -177.54 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 22.5 m -59.58 -34.78 73.14 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-O 121.364 0.602 . . . . 0.0 110.623 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 108' ' ' LEU . . . . . 0.491 ' O ' ' HG3' ' B' ' 112' ' ' GLN . 4.6 mt -64.54 -22.87 67.09 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.457 -0.792 . . . . 0.0 111.66 179.43 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 109' ' ' ASN . . . . . 0.495 HD21 ' N ' ' B' ' 109' ' ' ASN . 0.8 OUTLIER -72.01 -24.17 61.52 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.226 0.536 . . . . 0.0 109.852 177.974 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 110' ' ' VAL . . . . . . . . . . . . . 25.0 t -85.05 -40.08 14.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.893 -177.287 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 111' ' ' VAL . . . . . 0.478 HG13 ' O ' ' B' ' 108' ' ' LEU . 10.0 p -61.55 -33.53 57.56 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.316 0 CA-C-O 121.0 0.428 . . . . 0.0 110.709 -178.167 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 112' ' ' GLN . . . . . 0.491 ' HG3' ' O ' ' B' ' 108' ' ' LEU . 24.5 mt-30 -66.29 -30.52 70.96 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-O 121.514 0.673 . . . . 0.0 110.283 -179.309 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 113' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -74.54 -27.37 60.49 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 114.741 -1.118 . . . . 0.0 110.894 -173.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 4.3 m -87.39 -41.64 13.44 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.488 -0.778 . . . . 0.0 111.727 -173.022 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 115' ' ' VAL . . . . . 0.465 HG13 HD21 ' A' ' 81' ' ' LEU . 14.9 p -107.77 -21.33 5.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 120.87 0.366 . . . . 0.0 111.7 -171.699 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 116' ' ' GLY . . . . . . . . . . . . . . . -62.32 -17.32 56.1 Favored Glycine 0 CA--C 1.519 0.311 0 CA-C-N 116.283 -0.417 . . . . 0.0 113.466 -175.285 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -92.14 -0.47 57.44 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.769 0.318 . . . . 0.0 111.356 -179.38 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 118' ' ' TYR . . . . . . . . . . . . . 72.8 m-85 -113.86 -30.13 6.84 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.957 178.356 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 119' ' ' VAL . . . . . 0.444 ' O ' ' HB3' ' A' ' 22' ' ' SER . 28.0 m -88.18 -5.32 10.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.714 -179.792 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.919 0 CA-C-O 118.636 -1.091 . . . . 0.0 111.886 -179.202 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 16.0 m . . . . . 0 N--CA 1.447 -0.584 0 CA-C-O 120.751 0.31 . . . . 0.0 110.591 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -148.04 123.48 10.35 Favored 'General case' 0 N--CA 1.449 -0.489 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 179.789 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -80.86 -21.98 40.26 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.64 -175.678 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.01 -30.86 67.38 Favored Glycine 0 C--N 1.329 0.152 0 C-N-CA 121.255 -0.498 . . . . 0.0 112.591 -178.745 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.458 ' HB2' ' HB2' ' A' ' 78' ' ' GLN . . . -71.28 -16.15 62.46 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.93 0.395 . . . . 0.0 110.892 179.098 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 3.3 t -95.05 -41.41 11.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.002 -174.612 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 21.6 m-80 -68.25 -17.86 64.4 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-O 121.222 0.534 . . . . 0.0 110.692 -177.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 79.1 ttt180 -78.78 -9.03 59.3 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.161 -177.384 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.523 ' HB3' HD13 ' B' ' 108' ' ' LEU . 54.3 mt -77.11 -24.38 51.73 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.954 -173.648 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 16.6 p -77.85 0.72 22.84 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.096 0.474 . . . . 0.0 110.855 -178.251 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 35.9 t -87.67 166.68 14.49 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.747 176.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.08 -16.21 63.74 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.188 -179.181 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -55.38 -58.01 9.49 Favored 'General case' 0 CA--C 1.519 -0.237 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.892 179.344 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.607 ' O ' HG23 ' A' ' 39' ' ' VAL . . . -61.27 -54.62 41.73 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.028 -179.208 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -54.41 -28.94 47.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.736 -176.365 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 71.3 m -75.35 -18.37 60.0 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 112.332 0.493 . . . . 0.0 112.332 178.662 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.575 ' HD2' ' OE1' ' A' ' 82' ' ' GLU . 62.1 mtt180 -104.85 -47.31 4.06 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.441 0.638 . . . . 0.0 109.87 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.607 HG23 ' O ' ' A' ' 35' ' ' ALA . 42.9 t -55.6 -51.31 59.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 114.769 -1.105 . . . . 0.0 111.152 -178.8 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.9 m -70.76 -9.83 58.18 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.379 -177.247 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 46.1 t -91.11 -10.62 41.28 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.0 0.429 . . . . 0.0 110.221 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 41.0 m-80 -120.83 -1.0 10.01 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.345 -176.142 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.479 HG13 ' N ' ' A' ' 44' ' ' ALA . 4.1 pt -59.59 -40.28 81.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.97 0.414 . . . . 0.0 110.949 177.576 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.479 ' N ' HG13 ' A' ' 43' ' ' ILE . . . -78.26 -12.85 60.03 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.117 -177.167 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -81.31 -52.02 7.75 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.251 0.548 . . . . 0.0 110.313 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 32.9 mt -66.45 -32.71 59.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.299 -179.636 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.437 ' HB2' HD13 ' B' ' 96' ' ' ILE . . . -65.68 -18.84 65.62 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.254 178.542 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 42.0 t -98.99 -47.04 5.39 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.058 -177.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -90.2 -22.57 34.75 Favored Glycine 0 CA--C 1.519 0.32 0 C-N-CA 120.679 -0.772 . . . . 0.0 113.36 -176.245 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 73.24 -77.96 0.83 Allowed Glycine 0 N--CA 1.45 -0.42 0 N-CA-C 111.597 -0.601 . . . . 0.0 111.597 -178.368 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -114.84 -26.57 7.75 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-O 121.189 0.519 . . . . 0.0 110.295 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 16.3 m -71.66 -11.67 60.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.6 -178.656 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -88.1 -18.32 29.1 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.741 -179.257 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.448 ' N ' ' HD2' ' A' ' 55' ' ' PRO . 32.7 mt -54.8 -56.51 26.63 Favored Pre-proline 0 C--N 1.327 -0.389 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.947 -177.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.448 ' HD2' ' N ' ' A' ' 54' ' ' LEU . 19.2 Cg_endo -60.99 -21.71 72.3 Favored 'Trans proline' 0 C--N 1.352 0.751 0 C-N-CA 122.104 1.869 . . . . 0.0 112.544 -178.629 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 19.3 m -87.39 -45.3 10.67 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.921 0.391 . . . . 0.0 110.797 179.598 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 73.2 t -75.55 -42.68 42.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.499 -172.057 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.495 HG12 HD22 ' A' ' 83' ' ' LEU . 60.7 mt -58.45 -40.79 79.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.384 177.768 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 8.6 t -70.19 -36.7 74.8 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.175 -178.321 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -59.44 -51.52 69.55 Favored 'General case' 0 CA--C 1.52 -0.209 0 CA-C-O 121.397 0.618 . . . . 0.0 110.334 177.477 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.455 ' O ' HG21 ' A' ' 65' ' ' VAL . 52.1 mt -72.08 -43.49 66.87 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 115.199 -0.909 . . . . 0.0 111.293 -176.384 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.433 ' O ' HG21 ' A' ' 66' ' ' VAL . 51.5 t80 -54.65 -52.73 61.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.792 -178.909 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 33.5 t -58.94 -33.83 71.05 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.565 179.731 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -70.28 -38.58 71.45 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.983 -0.627 . . . . 0.0 112.091 -179.112 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.455 HG21 ' O ' ' A' ' 61' ' ' ILE . 46.5 t -74.34 -45.12 47.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-O 120.732 0.301 . . . . 0.0 110.845 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.433 HG21 ' O ' ' A' ' 62' ' ' TYR . 86.2 t -59.63 -37.37 70.37 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.309 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.159 -178.709 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.5 -16.13 53.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.697 -179.754 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 16.9 t -77.51 -19.82 55.24 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.841 0.353 . . . . 0.0 110.883 -179.339 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 102.13 33.92 4.44 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.415 -178.556 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.446 HG13 HG13 ' A' ' 65' ' ' VAL . 14.9 p -97.79 159.83 3.14 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 N-CA-C 110.065 -0.346 . . . . 0.0 110.065 179.387 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 40.1 t -68.52 157.5 35.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.526 0.203 . . . . 0.0 110.528 178.217 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 13.0 m -56.39 -53.73 53.94 Favored 'General case' 0 CA--C 1.532 0.275 0 N-CA-C 112.29 0.478 . . . . 0.0 112.29 -174.18 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 24.3 t-20 -75.86 -35.5 59.89 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.624 -0.43 . . . . 0.0 110.89 -176.036 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -63.47 -31.96 73.27 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.225 0.536 . . . . 0.0 109.582 177.534 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -66.36 -45.31 80.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.62 174.093 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -53.56 -46.73 70.37 Favored 'General case' 0 CA--C 1.519 -0.234 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.76 177.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.76 ' O ' ' HG ' ' A' ' 81' ' ' LEU . 38.4 mm -60.15 -58.56 6.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.018 178.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . 0.458 ' HB2' ' HB2' ' A' ' 26' ' ' ALA . 51.2 tt0 -57.63 -48.69 78.75 Favored 'General case' 0 N--CA 1.461 0.094 0 CA-C-O 120.773 0.32 . . . . 0.0 111.355 -177.884 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.04 -33.02 72.64 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.234 -178.536 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.556 ' O ' HD23 ' A' ' 84' ' ' LEU . 6.3 mt -71.88 -39.83 69.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.863 0.363 . . . . 0.0 110.501 175.149 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.76 ' HG ' ' O ' ' A' ' 77' ' ' ILE . 48.6 mt -63.72 -36.66 84.58 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.019 0.438 . . . . 0.0 110.512 178.576 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.575 ' OE1' ' HD2' ' A' ' 38' ' ' ARG . 50.8 mt-10 -74.53 -13.22 60.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.764 175.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.495 HD22 HG12 ' A' ' 58' ' ' ILE . 23.3 tp -88.31 -44.09 11.06 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.052 0.453 . . . . 0.0 110.559 174.784 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.556 HD23 ' O ' ' A' ' 80' ' ' LEU . 4.5 mm? -67.13 -2.84 6.19 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.569 -0.742 . . . . 0.0 111.894 -176.235 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.462 ' CB ' HD12 ' B' ' 108' ' ' LEU . 1.2 p -101.77 -28.34 12.51 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.029 177.729 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -72.64 -47.3 48.74 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.468 0.652 . . . . 0.0 110.585 -177.501 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.427 HD13 ' N ' ' A' ' 88' ' ' VAL . 1.0 OUTLIER -77.34 -17.13 58.52 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.267 -0.879 . . . . 0.0 112.695 -172.642 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.427 ' N ' HD13 ' A' ' 87' ' ' LEU . 16.9 m -90.5 -26.47 5.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 C-N-CA 120.479 -0.488 . . . . 0.0 110.711 177.606 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 45.7 t60 -68.55 -36.01 78.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.112 179.239 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 25.0 m -65.02 -26.75 40.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.17 -176.466 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.443 ' HA ' ' HB2' ' A' ' 94' ' ' ALA . 3.2 mm? -65.69 -23.9 66.88 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 120.659 0.266 . . . . 0.0 111.344 -179.278 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 32.3 t -61.28 -31.72 71.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.266 0.555 . . . . 0.0 110.071 178.45 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' SER . . . . . 0.429 ' HB2' HG13 ' B' ' 99' ' ' VAL . 49.4 m -106.31 -23.82 12.45 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.796 -179.119 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . 0.443 ' HB2' ' HA ' ' A' ' 91' ' ' LEU . . . -74.55 103.96 5.07 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-N 115.56 -0.745 . . . . 0.0 111.243 -178.791 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 4.5 p -77.0 86.73 3.52 Favored 'General case' 0 N--CA 1.419 -1.983 0 CA-C-N 115.265 -0.88 . . . . 0.0 110.452 176.757 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.456 HD13 ' HB2' ' B' ' 47' ' ' ALA . 21.0 tt -70.33 148.15 11.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.912 -179.671 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -97.41 -100.58 2.05 Favored Glycine 0 N--CA 1.447 -0.593 0 C-N-CA 120.833 -0.699 . . . . 0.0 111.879 178.501 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -130.62 125.69 34.73 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.873 -0.417 . . . . 0.0 109.873 179.223 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.4 ' CG1' HD12 ' A' ' 96' ' ' ILE . 4.7 m -106.81 132.17 54.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-O 121.054 0.455 . . . . 0.0 111.233 -178.782 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 21.2 m -87.53 148.36 24.94 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.455 178.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 54.4 m -85.0 24.37 1.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.173 0.511 . . . . 0.0 110.651 178.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 60.1 t -117.85 131.42 70.63 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.469 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.918 -176.608 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 103.22 -10.53 54.73 Favored Glycine 0 N--CA 1.45 -0.414 0 CA-C-N 115.871 -0.604 . . . . 0.0 112.624 177.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.47 ' O ' HD13 ' A' ' 108' ' ' LEU . 22.0 t -57.71 -34.67 48.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 176.622 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -48.9 -48.23 42.62 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 114.888 -1.051 . . . . 0.0 111.009 175.296 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 22.2 m -81.1 -28.05 35.37 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.327 -0.851 . . . . 0.0 111.312 -175.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 28.4 m -62.75 -36.33 82.7 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.158 0.504 . . . . 0.0 110.083 176.093 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.556 ' O ' ' HG3' ' A' ' 112' ' ' GLN . 2.3 mt -61.94 -25.33 67.53 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.541 -0.754 . . . . 0.0 111.531 178.489 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . 0.47 ' N ' HD21 ' A' ' 109' ' ' ASN . 0.8 OUTLIER -69.08 -25.53 64.48 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.192 0.52 . . . . 0.0 110.26 178.118 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 41.6 t -85.81 -38.67 13.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.109 -176.156 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.512 HG11 ' O ' ' A' ' 108' ' ' LEU . 8.0 p -62.97 -26.03 39.97 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.396 0 CA-C-O 121.399 0.619 . . . . 0.0 110.651 -177.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . 0.556 ' HG3' ' O ' ' A' ' 108' ' ' LEU . 24.6 mt-30 -70.53 -21.13 62.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.103 -178.622 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -84.18 -32.78 24.4 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.531 -173.163 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 16.8 p -80.58 -46.2 16.11 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.618 -0.719 . . . . 0.0 112.084 -172.456 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 10.5 p -105.69 -18.07 7.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-O 120.96 0.409 . . . . 0.0 111.289 -172.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -56.11 -27.51 51.96 Favored Glycine 0 CA--C 1.519 0.333 0 CA-C-N 116.121 -0.491 . . . . 0.0 113.117 -179.792 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -88.37 4.95 44.37 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 111.756 0.28 . . . . 0.0 111.756 -178.432 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 65.2 m-85 -117.32 -27.8 6.32 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.259 0.552 . . . . 0.0 110.085 177.417 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . 0.438 ' O ' ' HB3' ' B' ' 22' ' ' SER . 26.8 m . . . . . 0 C--N 1.327 -0.377 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.256 173.375 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 22' ' ' SER . . . . . 0.438 ' HB3' ' O ' ' A' ' 119' ' ' VAL . 10.8 m . . . . . 0 N--CA 1.449 -0.524 0 CA-C-O 120.869 0.366 . . . . 0.0 110.998 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 23' ' ' TYR . . . . . 0.571 ' CE1' ' HA ' ' B' ' 74' ' ' GLU . 0.1 OUTLIER -148.37 127.38 12.78 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.881 -0.599 . . . . 0.0 109.619 179.25 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -88.27 -19.91 26.16 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 112.279 0.474 . . . . 0.0 112.279 -174.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.41 -30.81 78.88 Favored Glycine 0 CA--C 1.51 -0.229 0 C-N-CA 121.087 -0.578 . . . . 0.0 112.069 -179.554 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 26' ' ' ALA . . . . . 0.425 ' HB3' ' HB2' ' B' ' 78' ' ' GLN . . . -66.79 -20.37 65.93 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.274 0.559 . . . . 0.0 110.334 176.911 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 27' ' ' VAL . . . . . 0.405 ' CG1' ' HA ' ' A' ' 112' ' ' GLN . 2.3 t -89.92 -44.73 15.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.302 -0.863 . . . . 0.0 109.843 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 62.3 m-20 -66.97 -26.89 67.04 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.658 -176.307 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 78.1 ttt180 -73.88 -9.17 58.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.626 -0.716 . . . . 0.0 111.087 -178.787 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . 0.441 HD11 ' HB3' ' B' ' 81' ' ' LEU . 79.1 mt -69.74 -21.95 63.41 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.029 0.443 . . . . 0.0 111.047 -178.865 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 61.0 p -75.78 -9.89 58.98 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.618 -179.658 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 69.1 m -78.19 152.28 32.77 Favored 'General case' 0 N--CA 1.442 -0.864 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.879 178.119 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.33 -19.48 55.5 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.901 -0.591 . . . . 0.0 111.149 178.76 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -51.64 -57.14 10.01 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.54 177.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 35' ' ' ALA . . . . . 0.645 ' O ' HG22 ' B' ' 39' ' ' VAL . . . -61.31 -54.93 37.61 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.939 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.7 -35.42 31.08 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.958 -175.502 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 29.9 m -73.66 -17.12 61.18 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.965 -177.278 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 38' ' ' ARG . . . . . 0.414 ' HD2' ' OE1' ' B' ' 82' ' ' GLU . 57.2 mtt180 -100.07 -52.51 3.39 Favored 'General case' 0 CA--C 1.514 -0.438 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 178.487 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 39' ' ' VAL . . . . . 0.645 HG22 ' O ' ' B' ' 35' ' ' ALA . 21.5 t -56.7 -37.79 54.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 114.25 -1.341 . . . . 0.0 111.853 -174.814 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 78.0 p -74.38 -8.47 56.36 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-O 120.854 0.359 . . . . 0.0 111.41 -178.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 19.0 t -98.61 -6.09 30.59 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.49 0.662 . . . . 0.0 109.413 177.543 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 14.7 m120 -102.86 -25.57 13.45 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.256 -0.884 . . . . 0.0 109.824 -176.319 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 43' ' ' ILE . . . . . 0.53 HG13 ' N ' ' B' ' 44' ' ' ALA . 7.1 pt -53.7 -44.95 60.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 114.98 -1.009 . . . . 0.0 112.367 -175.667 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 44' ' ' ALA . . . . . 0.53 ' N ' HG13 ' B' ' 43' ' ' ILE . . . -78.01 -14.87 59.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.971 0.415 . . . . 0.0 110.983 -174.255 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -83.28 -49.66 9.18 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.224 0.535 . . . . 0.0 110.103 -179.608 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 50.1 mt -66.58 -34.66 71.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.303 179.332 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . 0.456 ' HB2' HD13 ' A' ' 96' ' ' ILE . . . -63.63 -25.81 68.39 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.564 179.56 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 23.0 t -91.32 -36.52 13.8 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.456 -176.102 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -104.13 -19.26 11.88 Favored Glycine 0 CA--C 1.519 0.31 0 C-N-CA 120.461 -0.876 . . . . 0.0 113.628 -174.579 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 75.47 -79.18 1.09 Allowed Glycine 0 N--CA 1.449 -0.494 0 N-CA-C 111.571 -0.612 . . . . 0.0 111.571 179.607 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -117.46 -17.92 9.93 Favored 'General case' 0 C--N 1.314 -0.937 0 CA-C-O 121.19 0.519 . . . . 0.0 110.185 179.554 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 11.2 t -77.37 -6.65 54.1 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.808 -177.74 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -96.67 -18.37 19.73 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.846 179.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 54' ' ' LEU . . . . . 0.426 ' N ' ' HD2' ' B' ' 55' ' ' PRO . 54.9 mt -53.16 -56.79 20.38 Favored Pre-proline 0 CA--C 1.535 0.398 0 CA-C-N 115.844 -0.616 . . . . 0.0 112.137 -176.513 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 55' ' ' PRO . . . . . 0.426 ' HD2' ' N ' ' B' ' 54' ' ' LEU . 27.8 Cg_endo -63.8 -11.09 25.05 Favored 'Trans proline' 0 C--N 1.354 0.846 0 C-N-CA 122.277 1.985 . . . . 0.0 113.044 -176.41 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 70.4 m -100.14 -41.84 6.96 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.789 0.328 . . . . 0.0 111.12 177.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 90.5 t -76.67 -39.66 32.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.33 -173.476 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 58' ' ' ILE . . . . . 0.484 HG12 ' HG ' ' B' ' 83' ' ' LEU . 69.6 mt -60.49 -38.89 79.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 115.861 -0.609 . . . . 0.0 109.954 176.639 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 9.5 t -69.09 -34.97 75.95 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.058 -179.108 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 96.2 m-20 -63.32 -50.29 70.63 Favored 'General case' 0 CA--C 1.52 -0.182 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.682 177.391 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . 0.431 ' O ' HG22 ' B' ' 65' ' ' VAL . 52.1 mt -71.56 -46.34 63.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.646 -176.381 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 62' ' ' TYR . . . . . 0.454 ' O ' HG23 ' B' ' 66' ' ' VAL . 58.7 t80 -55.44 -54.0 49.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.641 -0.254 . . . . 0.0 110.908 -176.523 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 47.3 m -58.13 -33.6 69.33 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.825 178.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -67.97 -40.67 88.8 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.914 -0.66 . . . . 0.0 111.88 179.37 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 65' ' ' VAL . . . . . 0.445 ' O ' ' HB3' ' B' ' 68' ' ' SER . 59.7 t -72.59 -43.35 62.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-O 120.75 0.31 . . . . 0.0 111.058 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 66' ' ' VAL . . . . . 0.454 HG23 ' O ' ' B' ' 62' ' ' TYR . 89.7 t -61.67 -42.66 95.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.53 -0.304 . . . . 0.0 111.201 -178.628 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -71.13 -6.93 43.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.562 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 68' ' ' SER . . . . . 0.445 ' HB3' ' O ' ' B' ' 65' ' ' VAL . 38.5 t -81.33 -27.44 34.98 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.959 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 108.82 28.96 4.28 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.357 -0.925 . . . . 0.0 112.347 -176.745 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . 0.419 HG13 HG11 ' B' ' 65' ' ' VAL . 13.3 p -80.06 159.95 4.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 176.34 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 32.9 t -67.34 151.39 47.55 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.101 -0.703 . . . . 0.0 109.101 174.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 12.5 p -54.59 -65.28 0.6 Allowed 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 113.144 0.794 . . . . 0.0 113.144 -169.642 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -73.97 -19.77 60.56 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.129 0.49 . . . . 0.0 110.197 -176.284 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 74' ' ' GLU . . . . . 0.571 ' HA ' ' CE1' ' B' ' 23' ' ' TYR . 43.9 tt0 -70.83 -29.46 65.61 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.549 -0.751 . . . . 0.0 110.37 178.438 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -56.08 -39.54 72.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.448 -0.796 . . . . 0.0 111.293 178.602 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -56.8 -45.77 82.0 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.007 179.414 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 77' ' ' ILE . . . . . 0.673 ' O ' ' HG ' ' B' ' 81' ' ' LEU . 43.4 mm -63.5 -58.03 9.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.013 -177.017 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 78' ' ' GLN . . . . . 0.425 ' HB2' ' HB3' ' B' ' 26' ' ' ALA . 24.8 tt0 -58.06 -44.88 87.72 Favored 'General case' 0 N--CA 1.465 0.311 0 C-N-CA 121.069 -0.252 . . . . 0.0 111.299 -179.478 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -59.77 -40.09 87.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.966 -179.68 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 80' ' ' LEU . . . . . 0.553 ' O ' HD21 ' B' ' 84' ' ' LEU . 5.7 mt -72.58 -40.52 66.53 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.093 178.721 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . 0.673 ' HG ' ' O ' ' B' ' 77' ' ' ILE . 92.9 mt -60.04 -41.86 93.19 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 120.876 0.369 . . . . 0.0 110.779 179.709 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 82' ' ' GLU . . . . . 0.414 ' OE1' ' HD2' ' B' ' 38' ' ' ARG . 55.2 mt-10 -67.69 -31.62 71.72 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.686 175.645 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 83' ' ' LEU . . . . . 0.484 ' HG ' HG12 ' B' ' 58' ' ' ILE . 3.5 tm? -68.99 -44.2 73.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.08 0.467 . . . . 0.0 109.801 177.798 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 84' ' ' LEU . . . . . 0.553 HD21 ' O ' ' B' ' 80' ' ' LEU . 4.5 mm? -66.81 -10.64 49.9 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.65 -0.705 . . . . 0.0 111.833 -178.857 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 85' ' ' SER . . . . . 0.402 ' OG ' HG12 ' A' ' 111' ' ' VAL . 51.0 m -92.91 -29.41 15.92 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.974 0.416 . . . . 0.0 110.911 -177.032 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -72.16 -44.48 63.0 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.249 0.547 . . . . 0.0 110.843 -177.417 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 87' ' ' LEU . . . . . 0.437 HD13 ' N ' ' B' ' 88' ' ' VAL . 1.3 pp -78.03 -19.36 54.5 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.556 -0.747 . . . . 0.0 112.953 -171.809 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 88' ' ' VAL . . . . . 0.437 ' N ' HD13 ' B' ' 87' ' ' LEU . 16.3 m -89.49 -21.36 6.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 C-N-CA 120.097 -0.641 . . . . 0.0 110.498 176.548 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 89' ' ' HIS . . . . . . . . . . . . . 68.3 t60 -72.24 -34.25 68.14 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.251 178.238 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 90' ' ' VAL . . . . . 0.434 HG21 ' O ' ' B' ' 87' ' ' LEU . 22.8 m -66.27 -26.61 38.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.345 -175.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 91' ' ' LEU . . . . . 0.433 ' HA ' ' HB2' ' B' ' 94' ' ' ALA . 3.5 mm? -66.81 -20.57 65.96 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.908 0.385 . . . . 0.0 110.907 179.624 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 25.9 t -64.49 -24.83 67.75 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.494 179.458 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 18.0 m -123.48 13.94 9.49 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-O 121.169 0.509 . . . . 0.0 110.662 178.625 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 94' ' ' ALA . . . . . 0.433 ' HB2' ' HA ' ' B' ' 91' ' ' LEU . . . -110.55 95.2 5.41 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.965 -179.19 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 13.3 m -71.3 90.45 0.93 Allowed 'General case' 0 N--CA 1.43 -1.449 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.216 175.416 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 96' ' ' ILE . . . . . 0.437 HD13 ' HB2' ' A' ' 47' ' ' ALA . 19.0 tt -66.78 142.29 16.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.875 -178.244 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 97' ' ' GLY . . . . . . . . . . . . . . . -89.51 -103.89 1.1 Allowed Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 121.027 -0.606 . . . . 0.0 112.29 178.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 98' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -128.22 113.48 15.74 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.888 0.375 . . . . 0.0 110.997 -178.006 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 99' ' ' VAL . . . . . 0.429 HG13 ' HB2' ' A' ' 93' ' ' SER . 9.9 m -98.01 154.45 3.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.384 176.441 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 100' ' ' SER . . . . . . . . . . . . . 29.5 m -129.17 151.12 50.19 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 116.261 -0.427 . . . . 0.0 109.898 179.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 16.1 p -83.89 22.03 1.21 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.024 0.44 . . . . 0.0 111.1 -178.677 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 47.6 t -109.09 113.07 43.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.544 -176.789 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . 112.73 -9.38 25.77 Favored Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.465 -0.874 . . . . 0.0 112.898 177.544 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 104' ' ' VAL . . . . . . . . . . . . . 48.3 t -58.97 -33.07 48.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.59 0.195 . . . . 0.0 110.651 179.325 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -48.52 -40.87 28.31 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-O 121.457 0.646 . . . . 0.0 110.324 178.786 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 22.7 m -72.96 -30.51 63.89 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 115.67 -0.695 . . . . 0.0 111.452 -179.436 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 21.9 m -70.27 -30.59 67.66 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-O 120.914 0.388 . . . . 0.0 110.299 -176.503 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 108' ' ' LEU . . . . . 0.574 ' O ' HG11 ' B' ' 111' ' ' VAL . 4.2 mm? -57.45 -34.08 68.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.767 176.089 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 109' ' ' ASN . . . . . . . . . . . . . 14.7 m-80 -68.69 -23.43 64.38 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.185 -178.692 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 110' ' ' VAL . . . . . . . . . . . . . 38.7 t -84.81 -39.39 14.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.587 -178.303 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 111' ' ' VAL . . . . . 0.574 HG11 ' O ' ' B' ' 108' ' ' LEU . 7.7 p -64.0 -30.06 49.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 121.132 0.491 . . . . 0.0 110.274 -179.086 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 112' ' ' GLN . . . . . 0.524 ' HG3' ' O ' ' B' ' 108' ' ' LEU . 24.5 mt-30 -68.02 -24.06 65.07 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.686 178.894 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 113' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -82.32 -35.98 27.4 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.321 -0.854 . . . . 0.0 110.754 -175.252 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 12.1 m -78.85 -44.62 22.53 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.471 -0.786 . . . . 0.0 111.814 -172.372 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 115' ' ' VAL . . . . . 0.46 HG13 ' O ' ' B' ' 111' ' ' VAL . 10.4 p -108.39 -16.92 8.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 120.893 0.378 . . . . 0.0 111.374 -173.876 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 116' ' ' GLY . . . . . . . . . . . . . . . -62.36 -20.23 60.76 Favored Glycine 0 C--O 1.228 -0.251 0 C-N-CA 121.196 -0.526 . . . . 0.0 113.005 -178.251 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -93.92 7.38 45.21 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.675 0.274 . . . . 0.0 111.304 -179.73 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 118' ' ' TYR . . . . . . . . . . . . . 82.4 m-85 -118.42 -26.78 6.14 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.152 0.501 . . . . 0.0 110.271 176.428 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 119' ' ' VAL . . . . . . . . . . . . . 34.3 m -91.08 -1.98 10.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.831 174.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.009 0 CA-C-O 118.402 -1.221 . . . . 0.0 111.804 178.546 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 22.9 m . . . . . 0 C--O 1.234 0.287 0 CA-C-O 120.676 0.274 . . . . 0.0 111.058 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.402 ' OH ' ' HB3' ' A' ' 73' ' ' ASN . 0.2 OUTLIER -153.14 124.38 7.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.413 -177.544 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -86.96 -19.79 28.25 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.813 0.34 . . . . 0.0 111.002 176.786 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.18 -31.94 78.74 Favored Glycine 0 CA--C 1.511 -0.158 0 C-N-CA 121.176 -0.535 . . . . 0.0 112.306 -178.325 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.442 ' HB3' ' HB2' ' A' ' 78' ' ' GLN . . . -67.9 -20.69 65.13 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.209 0.528 . . . . 0.0 110.406 177.777 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.48 ' CG1' ' HA ' ' B' ' 112' ' ' GLN . 3.5 t -89.43 -42.67 14.55 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.486 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.332 -177.094 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 44.4 m-80 -63.96 -31.76 73.06 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.211 0.529 . . . . 0.0 110.286 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 -65.85 -18.85 65.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.475 -178.477 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.467 ' HB3' HD12 ' B' ' 108' ' ' LEU . 79.0 mt -63.24 -27.98 69.71 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.94 0.4 . . . . 0.0 111.801 -176.652 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 63.1 p -73.12 -6.81 48.15 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.0 -178.265 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 49.9 m -81.78 158.14 24.23 Favored 'General case' 0 N--CA 1.442 -0.847 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 177.113 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.25 -17.77 63.91 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 111.767 0.284 . . . . 0.0 111.767 -175.787 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -52.81 -58.11 7.99 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.963 179.127 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.665 ' O ' HG21 ' A' ' 39' ' ' VAL . . . -57.59 -57.72 11.46 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.729 179.595 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.13 -37.23 33.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.786 -176.418 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 22.1 t -70.07 -23.2 63.03 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.797 -177.759 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.432 ' HD2' ' OE1' ' A' ' 82' ' ' GLU . 61.7 mtt180 -96.2 -49.51 5.2 Favored 'General case' 0 CA--C 1.514 -0.434 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 -179.586 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.665 HG21 ' O ' ' A' ' 35' ' ' ALA . 39.0 t -57.78 -37.18 58.36 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-N 114.247 -1.342 . . . . 0.0 111.562 -176.516 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 69.4 p -73.93 -4.7 36.72 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-O 120.735 0.302 . . . . 0.0 111.633 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 19.6 t -100.66 -11.58 19.88 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.63 0.729 . . . . 0.0 109.499 176.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 11.5 m120 -96.43 -25.7 15.6 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.402 -0.817 . . . . 0.0 109.748 -175.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.549 HG13 ' N ' ' A' ' 44' ' ' ALA . 5.2 pt -57.11 -40.08 70.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 114.91 -1.041 . . . . 0.0 111.722 -176.802 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.549 ' N ' HG13 ' A' ' 43' ' ' ILE . . . -80.89 -1.56 43.91 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.798 0.332 . . . . 0.0 111.562 -175.379 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -104.01 -50.59 3.34 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.07 0.462 . . . . 0.0 110.525 178.789 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.421 HG21 ' HB3' ' A' ' 87' ' ' LEU . 50.3 mt -65.81 -33.85 66.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.698 -177.813 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.422 ' HB3' ' CD1' ' B' ' 96' ' ' ILE . . . -63.03 -23.43 67.45 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.979 -178.879 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 59.3 m -91.05 -33.39 15.52 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 112.367 0.506 . . . . 0.0 112.367 -175.48 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -112.47 -20.52 6.54 Favored Glycine 0 CA--C 1.517 0.187 0 C-N-CA 120.124 -1.036 . . . . 0.0 113.486 -175.097 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 76.21 -83.1 0.98 Allowed Glycine 0 N--CA 1.445 -0.766 0 N-CA-C 111.153 -0.779 . . . . 0.0 111.153 -178.037 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -106.95 -21.44 13.01 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-O 121.048 0.451 . . . . 0.0 110.568 -179.168 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 39.7 m -72.22 -9.48 58.51 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.136 -177.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.403 ' HB1' ' HA ' ' A' ' 46' ' ' ILE . . . -104.62 -9.7 18.07 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.081 -178.418 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.405 ' N ' ' HD2' ' A' ' 55' ' ' PRO . 47.4 mt -57.74 -58.67 16.76 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.631 -176.155 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.405 ' HD2' ' N ' ' A' ' 54' ' ' LEU . 19.1 Cg_endo -61.28 -29.99 87.15 Favored 'Trans proline' 0 C--N 1.351 0.683 0 C-N-CA 121.803 1.669 . . . . 0.0 112.391 -177.787 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 13.6 m -76.57 -32.68 58.3 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.124 0.488 . . . . 0.0 111.061 -177.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 76.0 t -90.9 -39.83 12.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.782 -175.139 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.503 HG12 ' HG ' ' A' ' 83' ' ' LEU . 66.6 mt -59.37 -37.74 71.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.892 0.377 . . . . 0.0 110.33 177.327 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 47.1 t -62.93 -41.31 99.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.946 179.096 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 79.9 m-20 -62.37 -52.45 63.57 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.496 -0.775 . . . . 0.0 111.238 179.501 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.4 ' O ' HG21 ' A' ' 65' ' ' VAL . 44.7 mt -65.72 -46.89 87.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.912 -0.586 . . . . 0.0 111.378 -177.74 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.421 ' O ' HG22 ' A' ' 66' ' ' VAL . 53.8 t80 -57.18 -49.52 75.72 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.733 0.301 . . . . 0.0 110.684 -177.15 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 13.3 t -62.9 -30.13 71.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.474 179.758 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -72.27 -42.49 49.79 Favored Glycine 0 N--CA 1.452 -0.294 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.825 179.052 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.492 HG12 HG13 ' A' ' 70' ' ' VAL . 85.7 t -69.18 -44.79 80.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 115.488 -0.356 . . . . 0.0 111.138 -179.442 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.421 HG22 ' O ' ' A' ' 62' ' ' TYR . 80.2 t -60.17 -41.39 86.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.204 -179.429 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.0 -18.09 59.33 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.737 -179.699 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 45.2 t -72.63 -21.73 61.06 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.104 -179.058 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 96.81 39.06 4.22 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.506 -0.854 . . . . 0.0 111.832 -176.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.492 HG13 HG12 ' A' ' 65' ' ' VAL . 14.7 p -94.99 164.51 2.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 N-CA-C 109.917 -0.401 . . . . 0.0 109.917 178.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 31.1 t -66.85 164.96 16.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.641 0.258 . . . . 0.0 110.38 177.088 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 5.3 p -63.37 -69.32 0.28 Allowed 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.309 0.485 . . . . 0.0 112.309 -173.299 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . 0.402 ' HB3' ' OH ' ' A' ' 23' ' ' TYR . 0.2 OUTLIER -69.54 -24.35 63.71 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.099 0.476 . . . . 0.0 110.286 -177.372 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -68.64 -33.17 73.55 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.128 -0.487 . . . . 0.0 109.881 178.728 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.93 -40.02 94.07 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.621 176.348 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.414 ' O ' HD21 ' A' ' 80' ' ' LEU . 2.8 tm? -56.67 -50.86 70.85 Favored 'General case' 0 CA--C 1.516 -0.337 0 N-CA-C 109.473 -0.565 . . . . 0.0 109.473 177.625 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.701 ' O ' ' HG ' ' A' ' 81' ' ' LEU . 36.1 mm -60.2 -55.56 23.4 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.984 -177.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . 0.442 ' HB2' ' HB3' ' A' ' 26' ' ' ALA . 21.3 tt0 -57.32 -45.89 83.77 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 120.544 0.212 . . . . 0.0 111.176 -179.751 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -59.99 -41.28 91.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.936 0.398 . . . . 0.0 110.676 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.611 ' O ' HD22 ' A' ' 84' ' ' LEU . 3.5 mm? -67.45 -42.61 82.79 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.126 177.861 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.701 ' HG ' ' O ' ' A' ' 77' ' ' ILE . 74.5 mt -59.78 -45.48 92.15 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.81 0.338 . . . . 0.0 111.057 -179.251 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.432 ' OE1' ' HD2' ' A' ' 38' ' ' ARG . 59.7 mt-10 -64.63 -40.46 95.51 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.092 0.472 . . . . 0.0 110.579 177.409 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.503 ' HG ' HG12 ' A' ' 58' ' ' ILE . 3.5 tm? -60.9 -43.69 98.17 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.22 177.025 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.611 HD22 ' O ' ' A' ' 80' ' ' LEU . 3.9 mm? -66.95 -9.36 37.62 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.706 -0.679 . . . . 0.0 112.13 -178.18 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 35.7 m -95.99 -30.91 13.33 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.002 0.429 . . . . 0.0 110.933 -178.331 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -68.67 -43.5 76.04 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.239 0.542 . . . . 0.0 111.078 -177.345 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.442 HD13 ' N ' ' A' ' 88' ' ' VAL . 1.1 pp -80.23 -18.97 47.98 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.631 -0.713 . . . . 0.0 112.794 -171.864 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.442 ' N ' HD13 ' A' ' 87' ' ' LEU . 17.6 m -91.13 -19.72 7.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 C-N-CA 120.228 -0.589 . . . . 0.0 110.441 176.37 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 51.9 t60 -72.8 -34.44 66.9 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.046 177.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.42 HG21 ' O ' ' A' ' 87' ' ' LEU . 27.5 m -65.73 -28.33 43.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 C-N-CA 120.747 -0.381 . . . . 0.0 111.215 -175.691 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.429 ' HA ' ' HB2' ' A' ' 94' ' ' ALA . 4.1 mm? -65.56 -18.69 65.51 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-O 120.722 0.296 . . . . 0.0 111.294 179.496 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 36.3 t -63.84 -25.72 68.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.826 177.752 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' SER . . . . . 0.467 ' HB2' ' CG1' ' B' ' 99' ' ' VAL . 66.1 m -120.75 -17.07 8.07 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.379 0.609 . . . . 0.0 110.981 -179.348 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . 0.514 ' HA ' ' HA ' ' B' ' 96' ' ' ILE . . . -77.89 97.24 5.22 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.117 179.528 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 5.5 p -71.34 88.34 0.87 Allowed 'General case' 0 N--CA 1.427 -1.607 0 CA-C-N 115.038 -0.983 . . . . 0.0 110.612 177.438 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.426 HD13 ' CG1' ' A' ' 99' ' ' VAL . 20.1 tt -65.64 142.0 17.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-O 120.884 0.373 . . . . 0.0 111.346 -178.807 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -90.24 -84.21 1.37 Allowed Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 120.931 -0.652 . . . . 0.0 111.939 178.435 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 9.8 t30 -150.21 124.06 9.27 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.611 0.243 . . . . 0.0 110.398 178.507 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.426 ' CG1' HD13 ' A' ' 96' ' ' ILE . 4.4 m -103.91 147.1 10.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.975 179.047 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 34.3 m -111.36 142.13 43.99 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.42 179.12 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 50.5 m -81.8 38.88 0.53 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.256 -179.284 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 58.1 t -130.48 121.35 50.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.566 -0.288 . . . . 0.0 110.391 -178.331 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 103.75 0.12 45.73 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.528 178.029 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 45.3 t -60.32 -34.01 55.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.657 0.265 . . . . 0.0 110.359 178.392 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -50.96 -42.13 59.73 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.234 179.289 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 21.6 m -67.25 -26.42 66.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.072 -179.594 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 19.9 m -76.29 -32.9 59.03 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.057 0.456 . . . . 0.0 109.906 178.722 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.513 ' O ' HG12 ' A' ' 111' ' ' VAL . 4.4 mm? -59.46 -28.57 67.11 Favored 'General case' 0 C--O 1.224 -0.268 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.756 175.322 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . 0.45 ' N ' HD21 ' A' ' 109' ' ' ASN . 0.9 OUTLIER -73.41 -26.74 61.1 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.868 0.366 . . . . 0.0 110.856 -179.036 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 38.9 t -84.5 -37.24 12.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.089 -176.195 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.513 HG12 ' O ' ' A' ' 108' ' ' LEU . 10.8 p -60.41 -30.17 45.86 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.28 0 CA-C-O 121.337 0.589 . . . . 0.0 110.395 -179.677 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . 0.474 ' HG3' ' O ' ' A' ' 108' ' ' LEU . 22.9 mt-30 -66.91 -27.88 67.85 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.422 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -80.49 -34.12 36.04 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.08 -177.429 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 9.9 m -74.88 -41.82 59.05 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.128 -0.942 . . . . 0.0 112.1 -171.717 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . 0.446 HG11 HD22 ' B' ' 81' ' ' LEU . 14.6 p -121.74 -15.57 6.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 N-CA-C 111.926 0.343 . . . . 0.0 111.926 -173.07 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -57.52 -31.59 63.52 Favored Glycine 0 C--N 1.329 0.142 0 C-N-CA 121.042 -0.599 . . . . 0.0 112.505 -178.786 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.38 -2.85 40.26 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 111.928 0.344 . . . . 0.0 111.928 -178.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 61.2 m-85 -111.34 -28.39 8.24 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-O 120.707 0.289 . . . . 0.0 110.849 179.564 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 35.9 m . . . . . 0 C--N 1.327 -0.402 0 CA-C-O 121.226 0.536 . . . . 0.0 110.596 175.378 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 51.4 m . . . . . 0 N--CA 1.45 -0.445 0 CA-C-O 120.581 0.229 . . . . 0.0 110.678 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 23' ' ' TYR . . . . . 0.534 ' CE1' ' HA ' ' B' ' 74' ' ' GLU . 0.2 OUTLIER -150.75 123.45 8.58 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.508 -0.315 . . . . 0.0 110.548 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -81.36 -25.54 36.25 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.069 177.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.7 -28.48 71.64 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.951 -0.642 . . . . 0.0 112.694 -178.576 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 26' ' ' ALA . . . . . 0.48 ' HB2' ' HB2' ' B' ' 78' ' ' GLN . . . -71.73 -20.71 61.86 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.394 0.616 . . . . 0.0 110.336 178.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 27' ' ' VAL . . . . . 0.456 ' CG1' ' HA ' ' A' ' 112' ' ' GLN . 2.5 t -88.29 -38.14 11.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 115.187 -0.915 . . . . 0.0 110.172 -178.448 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 71.4 m-20 -73.5 -7.41 51.7 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.229 -174.454 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 79.5 ttt180 -96.64 -1.5 46.66 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.572 0.701 . . . . 0.0 110.404 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . 0.498 ' HB3' HD13 ' A' ' 108' ' ' LEU . 91.4 mt -75.86 -29.09 58.43 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.554 -176.106 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 7.6 p -77.7 8.43 4.48 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.113 0.482 . . . . 0.0 111.1 179.374 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 74.3 m -85.43 159.11 20.04 Favored 'General case' 0 N--CA 1.442 -0.861 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.385 176.192 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.9 -16.58 63.98 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.985 0.422 . . . . 0.0 110.93 -179.592 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -56.94 -63.67 1.13 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.455 176.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 35' ' ' ALA . . . . . 0.55 ' O ' HG21 ' B' ' 39' ' ' VAL . . . -57.45 -52.05 66.95 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.02 -178.882 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -55.86 -22.83 27.34 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.273 0.471 . . . . 0.0 112.273 -176.727 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 7.7 t -88.04 -20.49 25.7 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.679 0.276 . . . . 0.0 111.339 -179.598 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 38' ' ' ARG . . . . . 0.504 ' HD2' ' OE1' ' B' ' 82' ' ' GLU . 66.8 mtt180 -96.04 -49.39 5.29 Favored 'General case' 0 CA--C 1.514 -0.429 0 CA-C-O 121.651 0.738 . . . . 0.0 109.041 -179.424 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 39' ' ' VAL . . . . . 0.55 HG21 ' O ' ' B' ' 35' ' ' ALA . 49.0 t -58.21 -34.25 49.25 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 114.253 -1.339 . . . . 0.0 111.167 -178.239 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 50.7 p -74.42 -9.85 58.99 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.535 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 25.9 t -93.41 -16.27 24.76 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.782 0.801 . . . . 0.0 109.139 176.38 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 42' ' ' ASN . . . . . 0.419 ' OD1' HD13 ' B' ' 61' ' ' ILE . 10.7 m120 -93.06 -27.42 16.98 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 114.94 -1.027 . . . . 0.0 109.812 -174.032 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 43' ' ' ILE . . . . . 0.567 HG13 ' N ' ' B' ' 44' ' ' ALA . 4.4 pt -56.88 -37.62 55.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 115.286 -0.87 . . . . 0.0 111.219 -179.607 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 44' ' ' ALA . . . . . 0.567 ' N ' HG13 ' B' ' 43' ' ' ILE . . . -83.64 -1.51 54.11 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.981 0.419 . . . . 0.0 111.555 -176.397 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -104.81 -52.01 2.95 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.645 179.479 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 44.6 mt -66.05 -33.0 60.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.781 -177.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.69 -29.63 70.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.987 179.362 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 18.0 m -91.18 -35.35 14.58 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.798 -175.424 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -96.41 -23.29 16.91 Favored Glycine 0 CA--C 1.518 0.241 0 C-N-CA 120.486 -0.864 . . . . 0.0 113.24 -175.731 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 76.5 -75.94 1.57 Allowed Glycine 0 N--CA 1.449 -0.438 0 N-CA-C 111.559 -0.616 . . . . 0.0 111.559 -179.613 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -122.84 -27.13 4.33 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 121.011 0.434 . . . . 0.0 110.401 179.479 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 12.0 m -71.13 -10.24 59.42 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.564 -177.682 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -90.64 -15.74 29.88 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.676 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 53.7 mt -54.9 -58.02 16.58 Favored Pre-proline 0 CA--C 1.533 0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.62 -178.441 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 55' ' ' PRO . . . . . . . . . . . . . 20.3 Cg_endo -62.65 -24.82 75.04 Favored 'Trans proline' 0 C--N 1.353 0.766 0 C-N-CA 122.032 1.821 . . . . 0.0 112.506 -179.018 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 8.2 m -78.72 -39.31 36.76 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.228 0.537 . . . . 0.0 110.607 178.768 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 69.1 t -86.33 -40.53 14.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.151 -172.545 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 58' ' ' ILE . . . . . 0.498 HG12 HD23 ' B' ' 83' ' ' LEU . 62.3 mt -58.04 -45.37 88.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 121.074 0.464 . . . . 0.0 110.527 178.074 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 62.8 m -66.73 -23.18 66.07 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.725 -177.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 -77.85 -53.9 6.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.754 177.497 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . 0.419 HD13 ' OD1' ' B' ' 42' ' ' ASN . 40.4 mt -62.86 -45.35 99.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.127 -178.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 62' ' ' TYR . . . . . 0.458 ' O ' HG22 ' B' ' 66' ' ' VAL . 59.6 t80 -56.18 -49.28 74.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.6 -176.767 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 32.2 m -59.53 -33.76 71.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.45 178.406 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -66.87 -40.59 93.63 Favored Glycine 0 N--CA 1.45 -0.374 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.672 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 65' ' ' VAL . . . . . 0.44 HG13 HG13 ' B' ' 70' ' ' VAL . 44.9 t -71.95 -46.18 61.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-O 120.832 0.349 . . . . 0.0 110.966 179.673 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 66' ' ' VAL . . . . . 0.458 HG22 ' O ' ' B' ' 62' ' ' TYR . 86.7 t -59.77 -35.08 58.0 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.242 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.116 -178.415 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -70.5 -6.85 39.18 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.846 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 34.0 t -88.88 -12.68 41.11 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 111.628 0.233 . . . . 0.0 111.628 -177.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 94.13 32.25 7.58 Favored Glycine 0 CA--C 1.515 0.09 0 C-N-CA 120.308 -0.949 . . . . 0.0 112.029 -178.254 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . 0.44 HG13 HG13 ' B' ' 65' ' ' VAL . 12.6 p -85.98 162.71 2.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 C-N-CA 122.619 0.368 . . . . 0.0 110.052 179.449 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 33.4 t -70.81 156.52 39.44 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.931 -0.396 . . . . 0.0 109.931 175.496 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 10.0 p -57.23 -64.04 1.02 Allowed 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.398 0.518 . . . . 0.0 112.398 -173.226 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 73' ' ' ASN . . . . . 0.481 ' HB3' ' OH ' ' B' ' 23' ' ' TYR . 0.2 OUTLIER -71.57 -20.53 62.0 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.11 0.481 . . . . 0.0 110.217 -176.901 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 74' ' ' GLU . . . . . 0.534 ' HA ' ' CE1' ' B' ' 23' ' ' TYR . 35.2 tt0 -74.94 -32.81 61.84 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.178 179.457 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -58.38 -38.95 78.35 Favored 'General case' 0 CA--C 1.519 -0.22 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.721 176.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -55.86 -49.32 73.68 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.053 179.191 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 77' ' ' ILE . . . . . 0.709 ' O ' ' HG ' ' B' ' 81' ' ' LEU . 37.2 mm -64.67 -56.22 17.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.262 -175.347 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 78' ' ' GLN . . . . . 0.48 ' HB2' ' HB2' ' B' ' 26' ' ' ALA . 20.6 tt0 -56.71 -45.87 81.58 Favored 'General case' 0 N--CA 1.464 0.246 0 C-N-CA 120.98 -0.288 . . . . 0.0 110.953 -179.569 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -59.36 -43.17 92.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.945 0.402 . . . . 0.0 110.87 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 80' ' ' LEU . . . . . 0.656 ' O ' HD21 ' B' ' 84' ' ' LEU . 2.7 mm? -65.1 -42.37 94.09 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.103 177.898 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . 0.709 ' HG ' ' O ' ' B' ' 77' ' ' ILE . 41.5 mt -65.22 -40.46 94.12 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.692 0.282 . . . . 0.0 111.392 -176.541 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 82' ' ' GLU . . . . . 0.504 ' OE1' ' HD2' ' B' ' 38' ' ' ARG . 54.1 mt-10 -63.23 -41.9 99.16 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.956 0.408 . . . . 0.0 110.153 174.861 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 83' ' ' LEU . . . . . 0.498 HD23 HG12 ' B' ' 58' ' ' ILE . 32.0 tp -59.22 -45.29 91.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.091 0.472 . . . . 0.0 111.353 176.283 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 84' ' ' LEU . . . . . 0.656 HD21 ' O ' ' B' ' 80' ' ' LEU . 3.8 mm? -64.9 -5.9 7.14 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.463 -0.79 . . . . 0.0 112.132 -176.133 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 85' ' ' SER . . . . . 0.42 ' OG ' HD12 ' A' ' 108' ' ' LEU . 21.4 m -100.29 -25.02 14.39 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 120.871 0.367 . . . . 0.0 110.918 -179.746 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 86' ' ' ALA . . . . . 0.401 ' HB1' HG11 ' B' ' 39' ' ' VAL . . . -74.6 -47.01 34.8 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.65 0.738 . . . . 0.0 110.629 -176.635 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 87' ' ' LEU . . . . . 0.404 HD13 HG13 ' B' ' 88' ' ' VAL . 0.9 OUTLIER -77.93 -14.87 59.39 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 114.979 -1.009 . . . . 0.0 112.775 -172.061 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 88' ' ' VAL . . . . . 0.404 HG13 HD13 ' B' ' 87' ' ' LEU . 19.8 m -96.12 -19.01 6.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 121.009 0.433 . . . . 0.0 110.642 176.528 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 89' ' ' HIS . . . . . . . . . . . . . 60.9 t60 -74.1 -34.26 63.9 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.825 177.735 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 90' ' ' VAL . . . . . . . . . . . . . 34.3 m -66.27 -27.11 39.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.574 -175.454 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 91' ' ' LEU . . . . . 0.456 ' HA ' ' HB2' ' B' ' 94' ' ' ALA . 3.8 mm? -66.38 -22.47 66.25 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.657 -0.247 . . . . 0.0 111.101 -178.826 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 11.2 t -63.13 -27.18 69.2 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.215 0.531 . . . . 0.0 110.333 178.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 8.7 m -120.93 14.19 11.52 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-O 121.191 0.52 . . . . 0.0 110.33 179.747 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 94' ' ' ALA . . . . . 0.456 ' HB2' ' HA ' ' B' ' 91' ' ' LEU . . . -110.38 97.26 6.76 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.793 -178.407 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 1.5 m -68.22 88.54 0.3 Allowed 'General case' 0 N--CA 1.429 -1.496 0 CA-C-N 115.49 -0.777 . . . . 0.0 111.023 177.698 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 96' ' ' ILE . . . . . 0.514 ' HA ' ' HA ' ' A' ' 94' ' ' ALA . 9.9 tt -68.24 139.19 21.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 121.026 0.441 . . . . 0.0 111.77 179.804 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 97' ' ' GLY . . . . . . . . . . . . . . . -86.48 -95.19 0.84 Allowed Glycine 0 N--CA 1.449 -0.469 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.805 177.222 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 98' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -139.65 113.67 8.83 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.842 0.353 . . . . 0.0 110.944 179.48 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 99' ' ' VAL . . . . . 0.467 ' CG1' ' HB2' ' A' ' 93' ' ' SER . 4.0 m -92.23 137.98 20.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.787 176.864 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 100' ' ' SER . . . . . . . . . . . . . 47.4 m -98.01 143.97 28.02 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.015 177.37 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 16.4 m -82.82 11.7 5.69 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.368 0.604 . . . . 0.0 110.495 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 51.0 t -110.58 121.42 63.31 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.519 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.036 -177.572 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . 112.14 -2.39 26.89 Favored Glycine 0 N--CA 1.448 -0.509 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.922 177.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 104' ' ' VAL . . . . . . . . . . . . . 37.9 t -61.29 -29.53 46.07 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.217 0 CA-C-N 116.828 0.314 . . . . 0.0 110.778 178.705 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -47.9 -41.51 24.66 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 121.337 0.589 . . . . 0.0 111.225 178.013 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 13.4 m -64.88 -34.36 78.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.412 -179.29 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 14.4 m -70.93 -34.96 72.01 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.639 -175.353 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 108' ' ' LEU . . . . . 0.582 ' O ' HG11 ' B' ' 111' ' ' VAL . 4.3 mm? -59.23 -36.57 75.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.606 177.087 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 109' ' ' ASN . . . . . . . . . . . . . 17.9 m-80 -67.89 -25.64 65.61 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.378 -178.544 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 110' ' ' VAL . . . . . . . . . . . . . 39.9 t -85.86 -39.78 13.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.054 -176.54 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 111' ' ' VAL . . . . . 0.582 HG11 ' O ' ' B' ' 108' ' ' LEU . 7.1 p -60.88 -26.66 39.35 Favored 'Isoleucine or valine' 0 C--O 1.234 0.266 0 CA-C-O 121.315 0.579 . . . . 0.0 110.497 -178.512 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 112' ' ' GLN . . . . . 0.551 ' HG3' ' O ' ' B' ' 108' ' ' LEU . 24.0 mt-30 -67.84 -20.58 65.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.299 -179.588 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 113' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -85.06 -36.99 20.84 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-O 121.41 0.624 . . . . 0.0 110.066 -176.385 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 4.8 m -76.04 -46.34 29.77 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.17 -0.923 . . . . 0.0 111.894 -171.667 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 115' ' ' VAL . . . . . 0.402 HG12 ' O ' ' B' ' 111' ' ' VAL . 10.3 p -108.42 -20.14 6.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-O 120.951 0.405 . . . . 0.0 111.372 -172.746 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 116' ' ' GLY . . . . . . . . . . . . . . . -59.77 -29.12 66.73 Favored Glycine 0 C--O 1.228 -0.223 0 CA-C-N 116.17 -0.468 . . . . 0.0 113.294 -176.378 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.24 -7.68 59.63 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 122.728 -0.278 . . . . 0.0 111.626 -178.148 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 118' ' ' TYR . . . . . . . . . . . . . 87.9 m-85 -101.58 -30.56 11.31 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.004 0.431 . . . . 0.0 110.806 179.103 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 119' ' ' VAL . . . . . . . . . . . . . 35.9 m -88.99 -3.36 9.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.418 179.107 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.131 0 CA-C-O 118.849 -0.973 . . . . 0.0 112.231 -179.61 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.453 ' HB3' ' O ' ' B' ' 119' ' ' VAL . 12.3 m . . . . . 0 N--CA 1.444 -0.747 0 CA-C-O 120.784 0.326 . . . . 0.0 110.512 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.552 ' CE1' ' HA ' ' A' ' 74' ' ' GLU . 0.1 OUTLIER -150.6 117.59 5.91 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.034 179.733 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.19 -27.56 53.64 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.559 -176.733 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.49 -30.76 72.49 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.931 -0.652 . . . . 0.0 112.508 -178.159 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.42 ' HB2' ' HB2' ' A' ' 78' ' ' GLN . . . -67.12 -16.61 64.43 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.102 0.477 . . . . 0.0 110.505 178.233 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.453 ' CG1' ' HA ' ' B' ' 112' ' ' GLN . 3.2 t -94.49 -44.03 13.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.235 -179.688 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 49.7 m-80 -62.85 -33.4 75.18 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 120.945 0.402 . . . . 0.0 111.223 -177.32 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 6.1 ptp180 -73.22 -1.03 16.09 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.807 -176.58 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.452 HD11 ' HB3' ' A' ' 81' ' ' LEU . 91.0 mt -73.49 -20.66 60.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.929 0.395 . . . . 0.0 110.986 179.24 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 52.8 p -71.82 -11.48 60.83 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.568 178.437 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 32.6 t -71.34 140.86 50.39 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.749 -0.66 . . . . 0.0 109.99 179.768 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.5 -18.39 39.77 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.924 0.392 . . . . 0.0 111.339 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -57.98 -51.32 70.15 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.205 177.221 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.578 ' O ' HG21 ' A' ' 39' ' ' VAL . . . -59.39 -53.54 56.97 Favored 'General case' 0 CA--C 1.515 -0.371 0 CA-C-N 115.589 -0.732 . . . . 0.0 109.93 176.658 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -51.23 -31.73 21.75 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.904 0.383 . . . . 0.0 111.31 -179.357 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 61.1 m -76.68 -32.09 57.69 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.961 -0.563 . . . . 0.0 112.374 179.094 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 77.2 mtt-85 -90.66 -40.67 11.75 Favored 'General case' 0 CA--C 1.516 -0.333 0 CA-C-O 121.765 0.793 . . . . 0.0 109.733 -175.668 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.578 HG21 ' O ' ' A' ' 35' ' ' ALA . 43.5 t -65.41 -42.14 92.78 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.92 0 CA-C-N 114.394 -1.275 . . . . 0.0 110.841 -178.858 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.494 ' O ' HG12 ' A' ' 43' ' ' ILE . 95.7 p -71.96 -15.57 62.07 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-O 121.14 0.495 . . . . 0.0 110.887 -179.745 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 47.3 t -81.42 -7.9 59.65 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.361 179.635 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 47.3 m-80 -126.14 -2.49 7.01 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.574 -176.552 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.494 HG12 ' O ' ' A' ' 40' ' ' SER . 5.4 pt -59.35 -40.5 81.63 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.234 0 CA-C-O 121.039 0.447 . . . . 0.0 110.57 177.476 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.494 ' N ' HG13 ' A' ' 43' ' ' ILE . . . -79.88 -11.59 59.8 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.91 -177.34 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -82.58 -49.12 10.2 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.203 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 40.0 mt -67.45 -32.06 55.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.041 177.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.421 ' HB3' HD11 ' B' ' 96' ' ' ILE . . . -69.74 -2.11 11.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.402 176.662 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 30.2 t -110.82 -49.32 3.05 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.724 -179.158 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -93.25 -21.02 30.99 Favored Glycine 0 C--N 1.331 0.271 0 C-N-CA 120.532 -0.842 . . . . 0.0 113.328 -176.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 74.27 -74.59 1.23 Allowed Glycine 0 N--CA 1.45 -0.417 0 N-CA-C 112.009 -0.437 . . . . 0.0 112.009 -178.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -117.34 -25.74 6.94 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.135 0.493 . . . . 0.0 110.314 179.583 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 15.4 m -71.15 -14.39 62.26 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.675 -178.562 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -90.5 -16.57 28.65 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.09 -178.028 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.416 HD11 HG13 ' B' ' 88' ' ' VAL . 27.5 mt -56.47 -58.35 17.51 Favored Pre-proline 0 C--N 1.327 -0.406 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.875 -176.415 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.409 ' HD2' ' N ' ' A' ' 54' ' ' LEU . 18.7 Cg_endo -60.48 -24.81 79.02 Favored 'Trans proline' 0 C--N 1.354 0.833 0 C-N-CA 122.156 1.904 . . . . 0.0 112.26 -177.376 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 16.6 m -83.84 -44.59 14.16 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.882 -179.478 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 53.0 t -74.13 -39.26 50.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.099 -175.082 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.48 HG12 ' HG ' ' A' ' 83' ' ' LEU . 63.7 mt -60.68 -36.58 71.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.174 176.091 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 5.5 t -70.1 -36.0 74.55 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.302 -0.408 . . . . 0.0 109.928 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 89.0 m-20 -63.75 -48.87 75.25 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.6 178.269 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 64.8 mt -74.08 -48.47 37.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.746 -176.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.497 ' O ' HG22 ' A' ' 66' ' ' VAL . 54.5 t80 -53.05 -52.56 58.11 Favored 'General case' 0 N--CA 1.466 0.36 0 N-CA-C 111.505 0.187 . . . . 0.0 111.505 -177.299 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 29.5 t -62.09 -31.34 71.77 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.867 0.365 . . . . 0.0 110.392 -179.05 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -71.33 -41.07 59.73 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.792 -0.718 . . . . 0.0 111.401 178.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.475 HG11 HG11 ' A' ' 70' ' ' VAL . 71.5 t -65.58 -47.42 86.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-O 120.937 0.398 . . . . 0.0 110.857 177.724 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.497 HG22 ' O ' ' A' ' 62' ' ' TYR . 76.3 t -62.09 -34.45 63.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.715 -178.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -68.92 -8.34 43.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.832 179.713 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 36.2 t -79.54 -21.34 45.29 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.982 0.42 . . . . 0.0 110.287 177.442 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 101.25 14.13 31.47 Favored Glycine 0 N--CA 1.453 -0.209 0 C-N-CA 120.659 -0.781 . . . . 0.0 112.184 -178.403 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.475 HG11 HG11 ' A' ' 65' ' ' VAL . 15.0 p -71.43 157.31 6.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 N-CA-C 110.184 -0.302 . . . . 0.0 110.184 178.061 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 33.7 t -59.07 136.37 57.93 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 174.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 14.5 m -50.71 -46.91 59.19 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 112.665 0.617 . . . . 0.0 112.665 -173.664 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -77.63 -30.94 52.49 Favored 'General case' 0 C--N 1.329 -0.326 0 C-N-CA 120.935 -0.306 . . . . 0.0 110.607 -175.604 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.552 ' HA ' ' CE1' ' A' ' 23' ' ' TYR . 34.7 tt0 -69.48 -29.63 67.33 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-O 121.128 0.489 . . . . 0.0 110.049 178.204 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.36 -35.1 74.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.503 -0.771 . . . . 0.0 111.274 178.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.413 HD21 ' HB3' ' A' ' 118' ' ' TYR . 2.9 tm? -55.86 -52.05 65.41 Favored 'General case' 0 CA--C 1.517 -0.321 0 CA-C-O 120.999 0.428 . . . . 0.0 109.891 178.154 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.689 ' O ' ' HG ' ' A' ' 81' ' ' LEU . 39.2 mm -60.42 -54.61 32.63 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.789 -177.598 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . 0.42 ' HB2' ' HB2' ' A' ' 26' ' ' ALA . 24.2 tt0 -57.22 -46.68 82.73 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.628 0.252 . . . . 0.0 111.203 179.855 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.57 -39.2 87.12 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.834 -179.703 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.559 ' O ' HD22 ' A' ' 84' ' ' LEU . 2.7 mm? -67.47 -37.5 83.0 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.985 176.206 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.689 ' HG ' ' O ' ' A' ' 77' ' ' ILE . 76.5 mt -69.65 -38.75 77.25 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.802 0.334 . . . . 0.0 111.25 -178.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -72.36 -12.36 61.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.399 0.619 . . . . 0.0 110.593 174.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.48 ' HG ' HG12 ' A' ' 58' ' ' ILE . 3.4 tm? -89.24 -44.95 9.9 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.469 175.622 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.559 HD22 ' O ' ' A' ' 80' ' ' LEU . 4.0 mm? -66.27 -12.3 55.59 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.45 -0.796 . . . . 0.0 111.991 -178.488 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.7 p -93.6 -29.72 15.33 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 120.807 0.337 . . . . 0.0 111.106 -177.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -68.69 -47.0 67.56 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.314 0.578 . . . . 0.0 110.833 -179.203 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.545 HD12 ' N ' ' A' ' 88' ' ' VAL . 1.6 pp -76.07 -25.77 55.88 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 113.034 0.753 . . . . 0.0 113.034 -172.013 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.545 ' N ' HD12 ' A' ' 87' ' ' LEU . 16.4 m -83.95 -23.71 7.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 C-N-CA 120.113 -0.635 . . . . 0.0 110.68 177.8 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 73.7 t60 -67.74 -40.16 84.17 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.233 178.028 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.457 HG23 ' O ' ' A' ' 87' ' ' LEU . 21.9 m -66.4 -26.09 36.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.502 -174.455 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.428 ' HA ' ' HB2' ' A' ' 94' ' ' ALA . 3.0 mm? -65.01 -20.08 66.32 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.221 179.227 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 22.2 t -64.91 -25.56 67.94 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.83 0.348 . . . . 0.0 110.807 -179.173 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 7.7 t -122.78 3.28 9.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.398 0.618 . . . . 0.0 110.178 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . 0.428 ' HB2' ' HA ' ' A' ' 91' ' ' LEU . . . -94.89 100.47 12.33 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.185 177.818 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 8.9 t -77.12 89.63 3.63 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.186 0.517 . . . . 0.0 109.894 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.441 HD13 ' HB1' ' B' ' 47' ' ' ALA . 16.8 tt -69.67 143.49 14.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.488 -178.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -92.93 -112.29 2.08 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.889 -0.672 . . . . 0.0 112.281 178.523 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -122.84 112.35 17.77 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.983 0.42 . . . . 0.0 110.612 -178.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.407 ' CG1' ' HB2' ' B' ' 93' ' ' SER . 11.5 m -90.54 153.09 3.25 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.957 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 43.9 t -113.42 153.4 28.67 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 178.329 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 24.4 p -78.84 -9.58 59.52 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.395 0.617 . . . . 0.0 110.28 178.229 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 43.6 t -78.12 103.34 5.08 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.431 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.918 -176.435 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 130.54 -14.14 5.59 Favored Glycine 0 N--CA 1.447 -0.597 0 C-N-CA 120.555 -0.831 . . . . 0.0 113.091 175.281 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.485 ' O ' HD12 ' A' ' 108' ' ' LEU . 16.6 t -58.43 -35.02 52.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 176.908 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -52.07 -44.52 64.36 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 114.997 -1.001 . . . . 0.0 110.402 177.497 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 11.2 m -85.64 -27.65 25.27 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.418 -0.81 . . . . 0.0 111.117 -177.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 29.7 m -64.61 -34.01 77.26 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-O 121.294 0.569 . . . . 0.0 109.938 178.137 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.558 ' O ' ' HG3' ' A' ' 112' ' ' GLN . 1.5 mt -59.88 -30.19 68.83 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.406 -0.816 . . . . 0.0 110.956 175.152 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . 0.496 ' N ' HD21 ' A' ' 109' ' ' ASN . 0.8 OUTLIER -71.61 -16.1 62.27 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.998 0.428 . . . . 0.0 110.792 179.537 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 29.5 t -94.28 -36.54 7.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.827 -179.04 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.518 HG13 ' O ' ' A' ' 108' ' ' LEU . 8.6 p -63.69 -29.54 47.54 Favored 'Isoleucine or valine' 0 C--O 1.235 0.299 0 CA-C-O 121.37 0.605 . . . . 0.0 110.317 179.559 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . 0.558 ' HG3' ' O ' ' A' ' 108' ' ' LEU . 25.2 mt-30 -67.22 -22.04 65.73 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.475 179.107 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -86.58 -20.08 28.44 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.408 -177.163 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 13.7 m -88.72 -32.69 17.82 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.001 -0.545 . . . . 0.0 112.03 -173.144 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . 0.515 HG12 ' CD2' ' B' ' 81' ' ' LEU . 11.4 p -120.79 -21.02 4.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 N-CA-C 112.15 0.426 . . . . 0.0 112.15 -173.48 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -54.92 -32.47 55.97 Favored Glycine 0 C--N 1.331 0.262 0 C-N-CA 121.432 -0.413 . . . . 0.0 113.441 -176.389 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.03 -4.26 54.57 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 111.962 0.356 . . . . 0.0 111.962 -178.314 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . 0.413 ' HB3' HD21 ' A' ' 76' ' ' LEU . 97.6 m-85 -108.5 -30.03 8.48 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.965 0.412 . . . . 0.0 110.09 178.712 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . 0.474 ' O ' ' HB3' ' B' ' 22' ' ' SER . 35.4 m . . . . . 0 C--N 1.326 -0.423 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.99 174.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 22' ' ' SER . . . . . 0.474 ' HB3' ' O ' ' A' ' 119' ' ' VAL . 4.6 m . . . . . 0 N--CA 1.445 -0.679 0 CA-C-O 120.759 0.314 . . . . 0.0 110.378 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -146.86 116.85 7.26 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.08 -179.281 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -76.66 -26.72 55.13 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.396 -177.701 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.65 -27.78 72.39 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.608 -177.459 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 26' ' ' ALA . . . . . 0.471 ' HB2' ' HB2' ' B' ' 78' ' ' GLN . . . -68.86 -19.05 64.23 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.381 0.61 . . . . 0.0 109.938 177.696 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 27' ' ' VAL . . . . . 0.478 HG23 ' CD1' ' B' ' 81' ' ' LEU . 2.5 t -93.65 -40.72 11.99 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 115.179 -0.919 . . . . 0.0 109.986 179.628 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 65.4 m-20 -74.02 -8.0 54.51 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.523 -0.762 . . . . 0.0 111.653 -172.696 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 29' ' ' ARG . . . . . 0.404 HH11 ' HD2' ' B' ' 29' ' ' ARG . 6.5 ptp180 -98.61 4.57 48.07 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.845 0.355 . . . . 0.0 110.688 179.46 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 90.1 mt -79.46 -12.87 59.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.291 -177.202 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 14.0 p -78.14 -2.94 39.96 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.53 179.081 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 26.8 t -77.75 141.45 39.27 Favored 'General case' 0 N--CA 1.448 -0.567 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.669 177.284 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.68 -21.78 61.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.176 -179.52 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -55.97 -45.05 79.05 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.448 177.705 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 35' ' ' ALA . . . . . 0.708 ' O ' HG21 ' B' ' 39' ' ' VAL . . . -63.13 -52.49 62.35 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.811 -0.631 . . . . 0.0 109.769 175.607 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -51.76 -37.52 51.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.623 -177.188 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 39.4 m -69.35 -21.81 63.79 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.218 -0.446 . . . . 0.0 112.0 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 38' ' ' ARG . . . . . 0.446 ' HD2' ' OE1' ' B' ' 82' ' ' GLU . 91.8 mtt180 -93.04 -53.05 4.3 Favored 'General case' 0 CA--C 1.511 -0.532 0 CA-C-O 121.896 0.855 . . . . 0.0 108.719 179.722 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 39' ' ' VAL . . . . . 0.708 HG21 ' O ' ' B' ' 35' ' ' ALA . 16.2 t -60.34 -34.83 59.01 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-N 113.682 -1.599 . . . . 0.0 111.53 -174.683 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 84.6 p -74.37 -10.55 59.69 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-O 121.1 0.476 . . . . 0.0 110.986 179.671 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 45.7 t -95.07 -7.9 38.18 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.707 0.765 . . . . 0.0 109.257 176.626 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 11.6 m120 -100.31 -25.39 14.26 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.366 -0.834 . . . . 0.0 109.784 -176.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 43' ' ' ILE . . . . . 0.549 HG13 ' N ' ' B' ' 44' ' ' ALA . 4.6 pt -58.34 -42.44 83.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.505 -0.77 . . . . 0.0 111.383 -178.398 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 44' ' ' ALA . . . . . 0.549 ' N ' HG13 ' B' ' 43' ' ' ILE . . . -78.62 -16.67 57.1 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.161 0.505 . . . . 0.0 110.895 -176.857 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -83.53 -52.7 6.26 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.824 -179.611 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 53.3 mt -67.15 -32.8 59.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.602 -178.711 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . 0.441 ' HB1' HD13 ' A' ' 96' ' ' ILE . . . -61.96 -23.34 66.32 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.264 178.176 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 32.3 m -97.91 -40.64 8.4 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.435 -175.744 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -95.31 -21.6 24.37 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.538 -0.839 . . . . 0.0 113.364 -176.091 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 71.34 -78.4 0.57 Allowed Glycine 0 N--CA 1.45 -0.423 0 N-CA-C 111.513 -0.635 . . . . 0.0 111.513 -178.405 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -117.0 -19.26 9.86 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-O 121.305 0.574 . . . . 0.0 109.754 178.27 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 4.6 m -72.31 -13.98 61.63 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.623 -177.582 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -95.69 -14.98 22.98 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.707 -0.678 . . . . 0.0 111.044 -177.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 54' ' ' LEU . . . . . 0.427 HD12 HG11 ' A' ' 88' ' ' VAL . 49.8 mt -53.88 -58.71 12.14 Favored Pre-proline 0 CA--C 1.531 0.244 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.787 -176.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 55' ' ' PRO . . . . . 0.402 ' HD2' ' N ' ' B' ' 54' ' ' LEU . 28.1 Cg_endo -62.79 -23.02 74.36 Favored 'Trans proline' 0 C--N 1.351 0.7 0 C-N-CA 121.934 1.756 . . . . 0.0 112.221 -176.131 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 6.2 m -84.94 -41.57 15.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.192 0.52 . . . . 0.0 110.794 -178.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 78.6 t -78.03 -39.26 25.18 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.395 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.263 -174.382 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 58' ' ' ILE . . . . . 0.437 HG12 HD21 ' B' ' 83' ' ' LEU . 64.8 mt -56.24 -41.77 71.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.287 175.283 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 8.1 t -65.44 -38.85 91.09 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.884 -178.112 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 95.2 m-20 -63.03 -55.05 28.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.637 178.67 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . 0.436 ' O ' HG21 ' B' ' 65' ' ' VAL . 57.5 mt -65.01 -47.83 86.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.551 -0.749 . . . . 0.0 111.477 -176.417 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 62' ' ' TYR . . . . . 0.423 ' O ' HG23 ' B' ' 66' ' ' VAL . 46.0 t80 -56.48 -47.88 78.29 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.631 -0.259 . . . . 0.0 110.6 -177.173 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 32.1 t -62.56 -31.29 72.06 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.453 179.078 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -72.58 -40.89 52.75 Favored Glycine 0 N--CA 1.453 -0.197 0 C-N-CA 120.784 -0.722 . . . . 0.0 111.683 178.303 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 65' ' ' VAL . . . . . 0.499 HG11 HG11 ' B' ' 70' ' ' VAL . 96.4 t -65.97 -46.8 87.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-O 120.977 0.417 . . . . 0.0 110.984 178.89 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 66' ' ' VAL . . . . . 0.423 HG23 ' O ' ' B' ' 62' ' ' TYR . 79.7 t -65.38 -31.57 54.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 121.056 0.455 . . . . 0.0 110.794 179.788 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -74.09 -5.63 42.74 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.414 177.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 20.3 t -89.96 -10.75 43.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.339 179.6 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 88.4 36.73 7.93 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.373 179.69 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . 0.499 HG11 HG11 ' B' ' 65' ' ' VAL . 13.3 p -87.3 163.57 2.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 N-CA-C 110.201 -0.296 . . . . 0.0 110.201 178.067 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 71' ' ' SER . . . . . 0.418 ' N ' HG23 ' B' ' 70' ' ' VAL . 17.4 t -67.57 148.31 51.6 Favored 'General case' 0 CA--C 1.531 0.229 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 175.744 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 48.0 m -53.01 -55.06 26.47 Favored 'General case' 0 CA--C 1.534 0.34 0 N-CA-C 113.01 0.744 . . . . 0.0 113.01 -172.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -78.11 -26.61 48.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.929 0.395 . . . . 0.0 110.553 -174.876 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -72.31 -26.57 62.0 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.991 0.424 . . . . 0.0 110.482 -179.485 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -58.7 -42.1 87.81 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.722 179.698 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -55.25 -48.04 74.55 Favored 'General case' 0 N--CA 1.463 0.195 0 O-C-N 123.236 0.335 . . . . 0.0 110.23 -179.622 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 77' ' ' ILE . . . . . 0.707 ' O ' ' HG ' ' B' ' 81' ' ' LEU . 42.1 mm -61.65 -56.52 17.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.964 -177.451 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 78' ' ' GLN . . . . . 0.471 ' HB2' ' HB2' ' B' ' 26' ' ' ALA . 30.3 tt0 -57.39 -44.74 84.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.543 -0.298 . . . . 0.0 110.974 -179.819 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -59.78 -40.91 89.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.962 0.41 . . . . 0.0 110.888 179.628 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 80' ' ' LEU . . . . . 0.651 ' O ' HD23 ' B' ' 84' ' ' LEU . 2.4 mm? -67.15 -36.03 80.95 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.228 177.716 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . 0.707 ' HG ' ' O ' ' B' ' 77' ' ' ILE . 33.4 mt -76.18 -34.47 59.33 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 120.754 0.311 . . . . 0.0 111.619 -175.332 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 82' ' ' GLU . . . . . 0.446 ' OE1' ' HD2' ' B' ' 38' ' ' ARG . 61.2 mt-10 -67.9 -17.75 64.57 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.335 0.588 . . . . 0.0 110.314 172.5 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 83' ' ' LEU . . . . . 0.437 HD21 HG12 ' B' ' 58' ' ' ILE . 50.9 tp -84.69 -44.63 13.23 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.596 174.104 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 84' ' ' LEU . . . . . 0.651 HD23 ' O ' ' B' ' 80' ' ' LEU . 3.8 mm? -67.51 -5.07 13.45 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.566 -0.743 . . . . 0.0 112.124 -177.051 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 1.4 p -99.62 -23.39 15.07 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 120.79 0.329 . . . . 0.0 110.655 177.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -77.84 -47.88 17.77 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-O 121.184 0.516 . . . . 0.0 110.534 -178.739 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 87' ' ' LEU . . . . . 0.474 HD12 ' N ' ' B' ' 88' ' ' VAL . 1.5 pp -72.21 -20.24 61.6 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.512 -0.767 . . . . 0.0 112.914 -172.244 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 88' ' ' VAL . . . . . 0.474 ' N ' HD12 ' B' ' 87' ' ' LEU . 14.1 m -90.95 -20.81 6.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 C-N-CA 120.468 -0.493 . . . . 0.0 110.867 176.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 89' ' ' HIS . . . . . . . . . . . . . 69.7 t60 -71.51 -32.43 68.18 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.065 178.393 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 90' ' ' VAL . . . . . 0.472 HG23 ' O ' ' B' ' 87' ' ' LEU . 10.5 m -65.7 -25.55 36.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.12 -177.179 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 91' ' ' LEU . . . . . 0.458 ' HA ' ' HB2' ' B' ' 94' ' ' ALA . 3.7 mm? -64.01 -24.16 67.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.4 -0.363 . . . . 0.0 110.826 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 47.5 t -57.54 -30.03 64.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.878 178.647 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 93' ' ' SER . . . . . 0.407 ' HB2' ' CG1' ' A' ' 99' ' ' VAL . 15.2 m -123.19 15.45 9.82 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-O 121.26 0.552 . . . . 0.0 110.656 -179.831 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 94' ' ' ALA . . . . . 0.458 ' HB2' ' HA ' ' B' ' 91' ' ' LEU . . . -111.31 95.05 5.29 Favored 'General case' 0 N--CA 1.447 -0.601 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.582 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 15.3 t -76.39 87.5 3.16 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.562 178.569 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 96' ' ' ILE . . . . . 0.421 HD11 ' HB3' ' A' ' 47' ' ' ALA . 16.6 tt -66.07 140.21 19.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.889 -179.295 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 97' ' ' GLY . . . . . . . . . . . . . . . -93.74 -89.06 1.63 Allowed Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.611 -0.804 . . . . 0.0 112.9 -177.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 98' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -137.57 119.58 15.42 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.646 0.26 . . . . 0.0 110.726 -177.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 99' ' ' VAL . . . . . . . . . . . . . 5.6 m -109.97 141.36 25.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.822 179.235 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 100' ' ' SER . . . . . . . . . . . . . 43.3 t -108.2 156.7 19.04 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.917 -179.343 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 101' ' ' SER . . . . . 0.417 ' HB3' ' HB2' ' A' ' 40' ' ' SER . 24.7 m -78.0 -10.15 59.46 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.19 0.519 . . . . 0.0 110.447 178.902 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 43.1 t -82.34 102.25 8.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.328 -175.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . 132.13 -9.56 5.39 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.612 -0.804 . . . . 0.0 113.132 175.181 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 104' ' ' VAL . . . . . . . . . . . . . 21.9 t -59.78 -32.64 50.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 177.306 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -48.52 -49.23 36.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.012 -0.995 . . . . 0.0 110.282 173.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 15.4 m -72.87 -38.69 66.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.295 -0.866 . . . . 0.0 111.23 -177.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 17.3 m -63.46 -29.04 70.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.519 0.676 . . . . 0.0 110.714 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 108' ' ' LEU . . . . . 0.492 ' O ' ' HG3' ' B' ' 112' ' ' GLN . 5.5 mt -69.26 -23.24 63.82 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.329 177.841 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 109' ' ' ASN . . . . . 0.411 ' N ' HD21 ' B' ' 109' ' ' ASN . 0.9 OUTLIER -74.05 -30.6 62.49 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.759 0.314 . . . . 0.0 111.105 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 110' ' ' VAL . . . . . . . . . . . . . 8.9 p -89.22 -29.42 5.16 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.276 0 N-CA-C 111.868 0.321 . . . . 0.0 111.868 -176.196 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 12.2 p -63.48 -30.56 50.13 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.269 0 CA-C-O 121.358 0.599 . . . . 0.0 110.186 178.265 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 112' ' ' GLN . . . . . 0.492 ' HG3' ' O ' ' B' ' 108' ' ' LEU . 27.2 mt-30 -65.56 -27.31 68.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.448 -0.797 . . . . 0.0 111.054 179.504 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 113' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -80.73 -24.28 38.86 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.958 -172.397 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 7.0 m -86.79 -35.81 18.92 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.698 -0.683 . . . . 0.0 112.079 -171.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 115' ' ' VAL . . . . . . . . . . . . . 13.3 p -122.79 -18.07 4.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 N-CA-C 112.018 0.377 . . . . 0.0 112.018 -172.653 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 116' ' ' GLY . . . . . . . . . . . . . . . -61.66 -25.52 65.58 Favored Glycine 0 C--O 1.228 -0.266 0 C-N-CA 121.089 -0.576 . . . . 0.0 113.073 -175.322 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -88.15 -5.82 58.22 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.847 0.356 . . . . 0.0 111.592 -179.48 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 118' ' ' TYR . . . . . . . . . . . . . 80.8 m-85 -97.54 -30.67 12.74 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.086 0.469 . . . . 0.0 109.774 177.396 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 119' ' ' VAL . . . . . 0.453 ' O ' ' HB3' ' A' ' 22' ' ' SER . 34.0 m -89.75 -0.99 9.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.36 178.181 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.978 0 CA-C-O 118.5 -1.167 . . . . 0.0 111.863 178.823 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 17.0 m . . . . . 0 N--CA 1.455 -0.193 0 CA-C-O 120.63 0.252 . . . . 0.0 111.538 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.6 ' CE1' ' HA ' ' A' ' 74' ' ' GLU . 0.0 OUTLIER -156.26 121.41 4.73 Favored 'General case' 0 CA--C 1.52 -0.177 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 179.914 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -83.85 -21.13 32.13 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-O 120.934 0.397 . . . . 0.0 111.633 179.702 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -66.85 -29.08 74.14 Favored Glycine 0 CA--C 1.51 -0.247 0 C-N-CA 121.349 -0.453 . . . . 0.0 112.072 -176.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.462 ' HB2' ' HB2' ' A' ' 78' ' ' GLN . . . -68.81 -15.28 63.46 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.109 0.48 . . . . 0.0 110.031 178.219 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.437 ' CG1' ' HA ' ' B' ' 112' ' ' GLN . 3.5 t -95.15 -44.82 13.3 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.318 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.872 -176.678 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 37.4 m-80 -64.83 -25.62 67.98 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-O 120.855 0.359 . . . . 0.0 111.542 -176.223 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 2.0 ptm180 -81.54 3.59 24.42 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.554 -175.177 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.456 HD12 ' HB3' ' A' ' 81' ' ' LEU . 82.9 mt -80.94 -17.74 49.46 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.235 -178.168 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 13.4 p -79.46 5.01 13.88 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.038 0.447 . . . . 0.0 111.068 -177.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 33.7 t -96.26 158.28 15.51 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.057 177.379 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -58.77 -21.15 55.11 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 121.084 0.468 . . . . 0.0 111.376 -179.499 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -48.83 -58.46 4.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 114.996 -1.002 . . . . 0.0 110.992 178.177 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.603 ' O ' HG23 ' A' ' 39' ' ' VAL . . . -68.63 -50.62 49.98 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.384 -0.825 . . . . 0.0 110.724 179.8 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -47.35 -39.94 16.19 Favored 'General case' 0 N--CA 1.465 0.288 0 O-C-N 123.399 0.437 . . . . 0.0 111.96 -176.301 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 60.7 m -71.91 -26.65 62.4 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.981 -178.435 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 20.3 mtm180 -92.03 -40.77 10.9 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.675 0.75 . . . . 0.0 109.463 -177.17 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.603 HG23 ' O ' ' A' ' 35' ' ' ALA . 40.4 t -64.05 -46.25 94.32 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.926 0 CA-C-N 114.425 -1.262 . . . . 0.0 110.491 179.11 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 33.1 t -75.63 -9.89 58.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.301 -178.761 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 32.5 t -82.85 -7.74 59.63 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 177.667 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 47.9 m-80 -124.85 0.13 8.0 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.717 -178.174 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.404 HG13 ' N ' ' A' ' 44' ' ' ALA . 2.3 pt -63.07 -38.38 81.89 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 CA-C-O 120.924 0.393 . . . . 0.0 110.706 177.909 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.404 ' N ' HG13 ' A' ' 43' ' ' ILE . . . -78.3 -7.97 57.85 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.031 -179.737 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -90.23 -55.76 3.48 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.644 -178.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 45.8 mt -64.03 -33.6 63.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.604 -178.641 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.7 -23.68 67.47 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.645 -178.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 22.8 t -98.41 -24.27 15.25 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.936 -0.574 . . . . 0.0 111.063 -177.417 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -103.28 -28.2 6.2 Favored Glycine 0 N--CA 1.453 -0.192 0 C-N-CA 120.475 -0.869 . . . . 0.0 113.227 -175.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 75.14 -76.5 1.24 Allowed Glycine 0 N--CA 1.448 -0.566 0 N-CA-C 110.905 -0.878 . . . . 0.0 110.905 -177.649 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -121.79 -22.2 5.86 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-O 121.134 0.492 . . . . 0.0 110.385 178.226 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 4.4 m -70.87 -12.72 61.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.674 -177.405 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -96.0 -13.35 23.85 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.035 -178.645 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.415 ' N ' ' HD2' ' A' ' 55' ' ' PRO . 47.1 mt -55.01 -57.85 17.56 Favored Pre-proline 0 CA--C 1.535 0.387 0 N-CA-C 111.964 0.357 . . . . 0.0 111.964 -177.245 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.415 ' HD2' ' N ' ' A' ' 54' ' ' LEU . 20.2 Cg_endo -62.23 -23.6 75.49 Favored 'Trans proline' 0 C--N 1.353 0.786 0 C-N-CA 122.141 1.894 . . . . 0.0 112.307 -177.592 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 10.0 m -84.02 -43.93 14.65 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.791 -179.409 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 64.5 t -76.54 -39.45 32.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.379 -173.716 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.424 HG12 ' HG ' ' A' ' 83' ' ' LEU . 62.6 mt -62.21 -39.67 84.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.248 176.18 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 21.1 t -68.05 -31.28 70.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.043 0.449 . . . . 0.0 110.193 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 90.0 m-20 -66.8 -55.65 13.96 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.797 176.335 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.45 ' O ' HG23 ' A' ' 65' ' ' VAL . 59.9 mt -68.55 -46.57 79.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.814 -175.15 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.534 ' O ' HG23 ' A' ' 66' ' ' VAL . 51.6 t80 -55.49 -54.5 43.14 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.804 0.335 . . . . 0.0 110.564 -177.027 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 16.5 m -61.23 -32.52 72.3 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.844 -179.585 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -69.41 -36.57 78.06 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.813 -0.708 . . . . 0.0 111.924 179.337 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.45 HG23 ' O ' ' A' ' 61' ' ' ILE . 93.9 t -73.99 -42.24 52.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-O 120.66 0.267 . . . . 0.0 110.522 177.752 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.534 HG23 ' O ' ' A' ' 62' ' ' TYR . 87.1 t -60.16 -35.95 64.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.954 0.406 . . . . 0.0 110.969 179.774 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -72.11 -2.28 17.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.902 179.237 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 28.0 t -91.83 -1.46 57.33 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.697 0.284 . . . . 0.0 110.843 179.568 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 83.12 29.97 32.52 Favored Glycine 0 C--N 1.33 0.23 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.111 179.509 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.447 HG13 HG13 ' A' ' 65' ' ' VAL . 10.7 p -84.88 162.27 2.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 N-CA-C 110.08 -0.341 . . . . 0.0 110.08 -179.161 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 19.7 m -68.49 146.75 52.86 Favored 'General case' 0 N--CA 1.447 -0.577 0 N-CA-C 110.129 -0.323 . . . . 0.0 110.129 175.613 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 21.7 p -49.69 -67.36 0.27 Allowed 'General case' 0 CA--C 1.534 0.327 0 N-CA-C 113.337 0.866 . . . . 0.0 113.337 -173.038 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . 0.45 ' HB3' ' HH ' ' A' ' 23' ' ' TYR . 4.3 t30 -73.73 -16.41 61.18 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.21 0.528 . . . . 0.0 110.747 -175.786 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.6 ' HA ' ' CE1' ' A' ' 23' ' ' TYR . 36.5 tt0 -73.41 -31.86 64.09 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 177.674 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.56 -36.33 80.32 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 115.203 -0.908 . . . . 0.0 110.768 176.388 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.44 HD23 ' HB3' ' A' ' 118' ' ' TYR . 2.7 tm? -56.2 -54.09 49.35 Favored 'General case' 0 CA--C 1.517 -0.317 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 177.789 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.74 ' O ' ' HG ' ' A' ' 81' ' ' LEU . 35.2 mm -59.86 -55.08 26.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.953 -177.866 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . 0.462 ' HB2' ' HB2' ' A' ' 26' ' ' ALA . 26.7 tt0 -57.08 -46.64 82.36 Favored 'General case' 0 C--O 1.233 0.217 0 C-N-CA 121.226 -0.19 . . . . 0.0 111.441 -179.271 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.96 -41.29 96.06 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.798 0.332 . . . . 0.0 110.615 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.581 ' O ' HD23 ' A' ' 84' ' ' LEU . 2.6 mm? -64.02 -41.67 97.36 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.024 177.528 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.74 ' HG ' ' O ' ' A' ' 77' ' ' ILE . 47.6 mt -61.93 -47.09 86.44 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.819 0.343 . . . . 0.0 110.863 -179.546 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 53.1 mt-10 -65.12 -36.72 85.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.734 178.133 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.424 ' HG ' HG12 ' A' ' 58' ' ' ILE . 3.5 tm? -61.7 -44.51 96.79 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.007 176.14 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.581 HD23 ' O ' ' A' ' 80' ' ' LEU . 3.8 mm? -68.18 -7.15 27.61 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.644 -0.707 . . . . 0.0 112.147 -177.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 35.6 m -97.78 -31.34 12.29 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.02 0.438 . . . . 0.0 111.108 -177.23 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -71.21 -46.48 61.12 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.278 0.561 . . . . 0.0 110.988 -176.643 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.426 HD13 ' N ' ' A' ' 88' ' ' VAL . 0.9 OUTLIER -77.42 -16.08 59.0 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 113.115 0.783 . . . . 0.0 113.115 -171.796 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.426 ' N ' HD13 ' A' ' 87' ' ' LEU . 16.9 m -93.58 -22.31 5.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 C-N-CA 120.314 -0.554 . . . . 0.0 110.843 176.887 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . 0.41 ' CD2' HG22 ' B' ' 104' ' ' VAL . 79.8 t60 -70.84 -34.47 71.7 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-O 120.872 0.367 . . . . 0.0 110.086 177.691 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 25.9 m -64.15 -27.87 43.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.214 -175.638 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.477 ' HA ' ' HB1' ' A' ' 94' ' ' ALA . 4.0 mm? -63.64 -24.83 67.95 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.352 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 26.1 t -59.71 -31.76 69.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.024 0.44 . . . . 0.0 110.56 179.148 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 75.5 m -112.36 -10.4 13.78 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.644 0.735 . . . . 0.0 110.564 -177.595 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . 0.477 ' HB1' ' HA ' ' A' ' 91' ' ' LEU . . . -89.47 90.03 8.11 Favored 'General case' 0 C--N 1.313 -0.992 0 CA-C-N 115.147 -0.933 . . . . 0.0 110.627 -179.8 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 12.9 m -65.83 93.92 0.2 Allowed 'General case' 0 N--CA 1.428 -1.543 0 CA-C-N 115.419 -0.81 . . . . 0.0 110.248 176.258 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.428 HD11 ' CG1' ' A' ' 99' ' ' VAL . 20.6 tt -76.09 148.29 7.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.702 -175.859 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -91.56 -108.21 1.56 Allowed Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.98 -0.629 . . . . 0.0 112.032 178.112 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 10.8 t30 -130.84 111.88 12.51 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.107 0.479 . . . . 0.0 110.259 179.343 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.428 ' CG1' HD11 ' A' ' 96' ' ' ILE . 5.7 m -86.35 138.29 19.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 115.604 -0.725 . . . . 0.0 111.157 -178.433 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 18.4 m -91.61 154.21 19.2 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.224 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 5.9 m -86.46 3.94 41.79 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.279 0.561 . . . . 0.0 110.65 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 40.4 t -106.16 112.29 38.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.645 -175.552 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 129.92 -14.17 5.74 Favored Glycine 0 N--CA 1.449 -0.45 0 CA-C-N 115.855 -0.611 . . . . 0.0 112.495 177.145 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.409 ' O ' HD13 ' A' ' 108' ' ' LEU . 19.2 t -59.27 -33.41 50.79 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.271 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 176.719 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -51.69 -43.37 62.74 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 114.968 -1.015 . . . . 0.0 110.577 175.414 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 20.0 m -80.82 -35.74 32.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.56 -177.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 24.1 m -61.88 -32.43 72.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.399 0.619 . . . . 0.0 110.517 179.571 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.523 ' O ' HG12 ' A' ' 111' ' ' VAL . 3.3 mt -64.31 -26.29 68.42 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.683 -0.689 . . . . 0.0 111.777 176.362 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . 0.468 ' N ' HD21 ' A' ' 109' ' ' ASN . 0.9 OUTLIER -73.43 -32.17 64.25 Favored 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 121.006 -0.278 . . . . 0.0 111.046 -177.322 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 8.7 p -87.28 -28.69 5.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 N-CA-C 111.781 0.289 . . . . 0.0 111.781 -175.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.523 HG12 ' O ' ' A' ' 108' ' ' LEU . 7.9 p -63.14 -30.02 48.66 Favored 'Isoleucine or valine' 0 C--O 1.234 0.247 0 CA-C-O 121.532 0.682 . . . . 0.0 109.992 177.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . 0.518 ' HG3' ' O ' ' A' ' 108' ' ' LEU . 26.5 mt-30 -64.38 -32.43 74.04 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.125 -0.943 . . . . 0.0 111.48 -178.223 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -70.95 -34.42 71.44 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.969 -177.109 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 6.0 m -78.55 -34.93 46.7 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.541 -0.754 . . . . 0.0 112.239 -171.521 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . 0.454 HG13 HD23 ' B' ' 81' ' ' LEU . 7.6 p -113.19 -25.15 3.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 N-CA-C 111.844 0.312 . . . . 0.0 111.844 -173.836 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -59.21 -26.07 60.92 Favored Glycine 0 C--N 1.33 0.221 0 C-N-CA 121.21 -0.519 . . . . 0.0 112.776 -176.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.75 2.22 34.94 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 111.699 0.259 . . . . 0.0 111.699 -178.295 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . 0.44 ' HB3' HD23 ' A' ' 76' ' ' LEU . 74.7 m-85 -114.81 -34.51 5.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.735 0.302 . . . . 0.0 110.655 177.498 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 33.8 m . . . . . 0 C--N 1.327 -0.375 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.429 178.565 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 3.5 m . . . . . 0 N--CA 1.449 -0.493 0 CA-C-O 120.997 0.427 . . . . 0.0 111.831 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -148.14 121.53 9.05 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 175.739 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -76.94 -31.25 56.49 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 121.16 0.505 . . . . 0.0 111.235 -178.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -66.23 -23.45 71.55 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.984 -0.627 . . . . 0.0 112.956 -177.523 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 26' ' ' ALA . . . . . 0.447 ' HB2' ' HB2' ' B' ' 78' ' ' GLN . . . -72.26 -12.56 61.21 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.448 0.642 . . . . 0.0 109.649 176.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 27' ' ' VAL . . . . . 0.444 HG22 ' CD1' ' B' ' 81' ' ' LEU . 3.5 t -98.55 -44.47 12.13 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.559 0 CA-C-N 114.894 -1.048 . . . . 0.0 110.084 178.322 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 64.0 m-80 -62.85 -27.27 69.22 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 120.775 0.321 . . . . 0.0 111.601 -177.485 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 6.3 ptp180 -78.72 0.68 25.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.361 -177.687 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . 0.41 ' HG ' ' O ' ' B' ' 27' ' ' VAL . 76.1 mt -79.76 -18.39 51.18 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.968 0.413 . . . . 0.0 110.936 -179.263 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 49.0 m -75.65 -2.09 27.76 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.614 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 72.8 m -87.06 149.51 24.67 Favored 'General case' 0 N--CA 1.44 -0.962 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.344 178.244 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.84 -16.03 60.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.954 0.407 . . . . 0.0 111.547 -177.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -57.66 -48.91 78.18 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.399 177.719 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 35' ' ' ALA . . . . . 0.633 ' O ' HG22 ' B' ' 39' ' ' VAL . . . -59.31 -53.08 62.34 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.667 -0.697 . . . . 0.0 109.972 177.085 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -51.11 -35.29 34.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.837 -177.646 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 42.2 t -70.49 -21.93 62.71 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.411 -177.735 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 38' ' ' ARG . . . . . 0.428 ' HD2' ' OE1' ' B' ' 82' ' ' GLU . 56.4 mtt180 -99.2 -47.64 5.12 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.947 0.88 . . . . 0.0 109.17 -178.724 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 39' ' ' VAL . . . . . 0.633 HG22 ' O ' ' B' ' 35' ' ' ALA . 34.3 t -59.85 -43.1 91.23 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-N 114.062 -1.426 . . . . 0.0 111.047 -178.268 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 35.9 t -78.05 -6.33 54.26 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.854 0.359 . . . . 0.0 111.411 -178.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 47.9 t -84.39 -13.78 51.27 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.505 0.669 . . . . 0.0 109.47 177.096 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 45.3 m-80 -121.65 1.58 10.03 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.625 -175.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 2.0 pt -61.92 -37.83 79.17 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.18 0 CA-C-O 120.957 0.408 . . . . 0.0 110.478 177.264 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -76.62 -15.89 59.71 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.033 -179.022 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -82.97 -53.28 5.95 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.999 -176.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 46' ' ' ILE . . . . . 0.405 HG22 ' HB3' ' B' ' 87' ' ' LEU . 48.8 mt -64.31 -32.33 57.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.121 -179.28 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . 0.406 ' HB3' HD12 ' A' ' 96' ' ' ILE . . . -63.56 -23.79 67.54 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.078 177.268 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 24.9 t -92.77 -50.53 5.53 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.134 -177.697 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -88.18 -18.23 56.04 Favored Glycine 0 CA--C 1.52 0.398 0 C-N-CA 120.773 -0.727 . . . . 0.0 113.626 -174.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 73.25 -80.24 0.74 Allowed Glycine 0 N--CA 1.451 -0.348 0 N-CA-C 111.775 -0.53 . . . . 0.0 111.775 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -116.92 -24.62 7.55 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-O 121.055 0.455 . . . . 0.0 110.195 179.565 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 5.3 t -74.6 -9.56 58.69 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.013 -0.54 . . . . 0.0 109.982 -177.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -91.36 -14.27 31.01 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.628 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 54' ' ' LEU . . . . . 0.415 ' N ' ' HD2' ' B' ' 55' ' ' PRO . 49.2 mt -55.59 -57.79 19.13 Favored Pre-proline 0 CA--C 1.534 0.353 0 CA-C-N 116.632 -0.258 . . . . 0.0 111.53 -179.291 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 55' ' ' PRO . . . . . 0.415 ' HD2' ' N ' ' B' ' 54' ' ' LEU . 16.8 Cg_endo -60.44 -28.25 86.38 Favored 'Trans proline' 0 C--N 1.35 0.62 0 C-N-CA 122.18 1.92 . . . . 0.0 112.288 179.758 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 8.0 m -76.4 -42.09 45.58 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.054 0.454 . . . . 0.0 110.485 179.096 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 53.5 t -85.68 -42.69 16.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.694 -171.2 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 58' ' ' ILE . . . . . 0.52 HG12 ' HG ' ' B' ' 83' ' ' LEU . 50.6 mt -55.85 -44.03 76.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 121.083 0.468 . . . . 0.0 110.308 178.538 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 75.1 m -69.59 -28.72 66.2 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.886 -178.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -67.57 -51.38 51.26 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-O 121.241 0.543 . . . . 0.0 110.699 176.503 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 54.8 mt -70.13 -42.29 79.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.918 -177.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 62' ' ' TYR . . . . . 0.447 ' O ' HG21 ' B' ' 66' ' ' VAL . 62.3 t80 -55.65 -52.23 64.52 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.604 -178.595 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 22.3 m -61.52 -33.03 73.12 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.773 179.678 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -70.24 -38.56 71.87 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.789 -0.719 . . . . 0.0 111.781 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 65' ' ' VAL . . . . . 0.465 HG12 HG12 ' B' ' 70' ' ' VAL . 92.9 t -71.96 -48.01 52.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-O 120.802 0.334 . . . . 0.0 111.181 178.45 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 66' ' ' VAL . . . . . 0.447 HG21 ' O ' ' B' ' 62' ' ' TYR . 96.2 t -58.76 -33.91 50.51 Favored 'Isoleucine or valine' 0 C--O 1.235 0.309 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.177 -178.188 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.94 -12.79 53.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.449 . . . . 0.0 112.031 179.51 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 34.7 t -80.02 -12.24 59.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.038 0.447 . . . . 0.0 110.769 179.302 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 101.72 2.98 52.8 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.51 -0.852 . . . . 0.0 112.27 178.478 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . 0.465 HG12 HG12 ' B' ' 65' ' ' VAL . 10.3 p -66.69 156.79 6.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 N-CA-C 110.376 -0.231 . . . . 0.0 110.376 179.11 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 10.4 t -71.77 155.16 40.76 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 110.209 -0.293 . . . . 0.0 110.209 179.129 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 3.0 p -56.14 -58.76 6.57 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 113.261 0.837 . . . . 0.0 113.261 -172.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -73.14 -25.92 61.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 122.229 -0.294 . . . . 0.0 110.652 -174.148 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -71.52 -35.66 70.79 Favored 'General case' 0 C--N 1.332 -0.161 0 N-CA-C 109.546 -0.538 . . . . 0.0 109.546 174.254 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -62.7 -38.57 90.94 Favored 'General case' 0 C--O 1.223 -0.296 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.574 176.303 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 76' ' ' LEU . . . . . 0.445 ' O ' HD22 ' B' ' 80' ' ' LEU . 2.8 tm? -52.65 -52.03 57.46 Favored 'General case' 0 CA--C 1.518 -0.261 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 177.15 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 77' ' ' ILE . . . . . 0.629 ' O ' ' HG ' ' B' ' 81' ' ' LEU . 42.1 mm -62.1 -54.97 27.36 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.906 -178.125 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 78' ' ' GLN . . . . . 0.447 ' HB2' ' HB2' ' B' ' 26' ' ' ALA . 24.1 tt0 -57.5 -47.84 80.84 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.323 -179.059 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.3 -40.64 97.92 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.818 -178.755 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 80' ' ' LEU . . . . . 0.657 ' O ' ' HG ' ' B' ' 84' ' ' LEU . 2.8 mm? -62.06 -43.41 98.9 Favored 'General case' 0 C--O 1.221 -0.414 0 CA-C-N 116.594 -0.275 . . . . 0.0 110.473 176.491 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . 0.629 ' HG ' ' O ' ' B' ' 77' ' ' ILE . 15.7 mt -68.87 -40.6 79.18 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.597 0.237 . . . . 0.0 111.369 -177.486 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 82' ' ' GLU . . . . . 0.428 ' OE1' ' HD2' ' B' ' 38' ' ' ARG . 50.2 mt-10 -60.85 -37.4 81.97 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.243 0.544 . . . . 0.0 110.019 172.32 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 83' ' ' LEU . . . . . 0.52 ' HG ' HG12 ' B' ' 58' ' ' ILE . 3.4 tm? -63.21 -44.17 96.09 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.421 176.172 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 84' ' ' LEU . . . . . 0.657 ' HG ' ' O ' ' B' ' 80' ' ' LEU . 13.0 mt -64.38 -16.76 62.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.004 -177.106 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 28.1 m -89.87 -28.16 19.43 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 121.035 0.445 . . . . 0.0 110.82 -174.54 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 86' ' ' ALA . . . . . 0.437 ' O ' HG12 ' B' ' 90' ' ' VAL . . . -71.0 -42.74 69.22 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.23 0.538 . . . . 0.0 110.76 -178.102 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 87' ' ' LEU . . . . . 0.489 HD11 ' N ' ' B' ' 88' ' ' VAL . 1.6 pp -82.18 -22.74 35.87 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.604 -0.725 . . . . 0.0 112.829 -171.749 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 88' ' ' VAL . . . . . 0.489 ' N ' HD11 ' B' ' 87' ' ' LEU . 17.2 m -86.37 -21.88 7.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 C-N-CA 119.97 -0.692 . . . . 0.0 110.571 177.118 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 89' ' ' HIS . . . . . . . . . . . . . 72.3 t60 -71.41 -37.42 71.52 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.196 178.294 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 90' ' ' VAL . . . . . 0.473 HG23 ' O ' ' B' ' 87' ' ' LEU . 23.7 m -64.4 -27.24 42.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.464 -175.366 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 91' ' ' LEU . . . . . 0.417 ' HA ' ' HB1' ' B' ' 94' ' ' ALA . 3.3 mm? -64.41 -26.18 68.34 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.316 -179.618 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 36.9 t -62.32 -27.62 69.16 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.605 -179.311 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 19.7 m -117.5 12.61 14.2 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-O 121.241 0.543 . . . . 0.0 110.505 178.632 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 94' ' ' ALA . . . . . 0.417 ' HB1' ' HA ' ' B' ' 91' ' ' LEU . . . -108.76 98.36 7.87 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.427 179.028 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 5.1 t -76.81 87.39 3.41 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 96' ' ' ILE . . . . . 0.422 HD11 ' CG1' ' B' ' 99' ' ' VAL . 17.0 tt -62.59 148.38 10.86 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.314 0 CA-C-N 115.52 -0.763 . . . . 0.0 111.667 -178.421 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 97' ' ' GLY . . . . . . . . . . . . . . . -93.88 -85.98 1.62 Allowed Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.867 -0.682 . . . . 0.0 111.731 178.341 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 98' ' ' ASN . . . . . . . . . . . . . 11.2 t30 -150.88 123.54 8.54 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.874 0.369 . . . . 0.0 110.767 177.011 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 99' ' ' VAL . . . . . 0.422 ' CG1' HD11 ' B' ' 96' ' ' ILE . 4.8 m -98.36 152.95 4.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.901 179.807 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 100' ' ' SER . . . . . . . . . . . . . 49.5 m -119.19 163.07 17.62 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.453 178.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 6.9 p -79.91 -11.1 59.83 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.363 0.601 . . . . 0.0 111.448 -178.445 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 48.9 t -83.83 107.1 14.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.397 -174.191 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . 122.67 -10.08 9.13 Favored Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.716 -0.754 . . . . 0.0 113.296 173.523 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 104' ' ' VAL . . . . . 0.5 ' O ' HD13 ' B' ' 108' ' ' LEU . 26.6 t -58.31 -36.62 58.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 175.871 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -55.41 -43.92 75.71 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.14 -0.936 . . . . 0.0 110.379 177.136 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 14.6 m -69.65 -37.22 76.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.443 -0.799 . . . . 0.0 111.083 -178.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 48.8 m -62.84 -35.03 78.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.074 0.464 . . . . 0.0 110.636 179.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 108' ' ' LEU . . . . . 0.509 ' O ' HG11 ' B' ' 111' ' ' VAL . 1.1 mt -61.55 -24.76 66.86 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.826 -0.624 . . . . 0.0 111.599 178.177 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 109' ' ' ASN . . . . . 0.444 HD21 ' N ' ' B' ' 109' ' ' ASN . 0.9 OUTLIER -66.78 -28.18 68.19 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.104 0.478 . . . . 0.0 110.461 178.661 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 110' ' ' VAL . . . . . . . . . . . . . 20.7 t -87.81 -35.21 7.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.246 -175.719 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 111' ' ' VAL . . . . . 0.509 HG11 ' O ' ' B' ' 108' ' ' LEU . 7.9 p -63.34 -29.75 48.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 121.26 0.552 . . . . 0.0 110.179 -179.109 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 112' ' ' GLN . . . . . 0.466 ' HG3' ' O ' ' B' ' 108' ' ' LEU . 25.3 mt-30 -70.45 -23.41 62.7 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 121.344 0.592 . . . . 0.0 111.001 -179.181 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 113' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -84.17 -34.12 24.07 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.45 -0.795 . . . . 0.0 110.724 -173.542 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 4.8 p -83.96 -42.45 16.25 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.416 -0.811 . . . . 0.0 112.443 -172.045 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 115' ' ' VAL . . . . . 0.494 HG11 ' O ' ' B' ' 111' ' ' VAL . 12.2 p -105.38 -20.16 6.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 121.005 0.431 . . . . 0.0 110.963 -175.403 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 116' ' ' GLY . . . . . . . . . . . . . . . -62.24 -23.61 64.45 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 121.083 -0.58 . . . . 0.0 112.598 -179.416 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -88.09 5.9 38.9 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.555 0.217 . . . . 0.0 111.467 -179.291 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 118' ' ' TYR . . . . . . . . . . . . . 73.2 m-85 -116.9 -32.61 5.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.846 0.355 . . . . 0.0 110.843 177.308 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 119' ' ' VAL . . . . . . . . . . . . . 27.4 m -80.2 -1.86 5.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.994 0.426 . . . . 0.0 111.18 178.679 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.184 0 CA-C-O 118.184 -1.342 . . . . 0.0 110.976 177.163 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.413 ' HB3' ' O ' ' B' ' 119' ' ' VAL . 16.3 m . . . . . 0 N--CA 1.445 -0.709 0 CA-C-O 120.953 0.406 . . . . 0.0 110.971 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.597 ' CE1' ' HA ' ' A' ' 74' ' ' GLU . 0.1 OUTLIER -148.8 117.84 6.76 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.358 177.902 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -79.7 -23.58 42.29 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 116.134 -0.484 . . . . 0.0 112.07 -175.242 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.2 -30.62 78.3 Favored Glycine 0 CA--C 1.509 -0.343 0 C-N-CA 120.895 -0.669 . . . . 0.0 111.936 -179.288 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.428 ' HB3' ' HB2' ' A' ' 78' ' ' GLN . . . -68.68 -14.55 63.09 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.097 0.475 . . . . 0.0 110.237 177.276 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 3.4 t -95.34 -44.29 13.1 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.438 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.402 -179.37 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 43.1 m-80 -64.22 -32.11 73.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.093 0.473 . . . . 0.0 110.174 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 78.3 ttt180 -65.5 -12.15 50.0 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.512 -178.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.44 HD11 ' HB3' ' A' ' 81' ' ' LEU . 74.5 mt -68.66 -27.83 66.33 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.021 0.439 . . . . 0.0 110.968 -179.729 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 76.0 p -81.53 12.02 4.12 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.776 -179.406 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 34.6 t -94.82 162.67 13.66 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.013 -0.54 . . . . 0.0 109.902 176.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.86 -19.75 65.99 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.96 179.803 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -55.73 -62.72 1.5 Allowed 'General case' 0 C--O 1.233 0.236 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.663 179.182 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.487 ' O ' HG21 ' A' ' 39' ' ' VAL . . . -60.42 -49.84 75.97 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.065 -179.069 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -51.61 -36.69 46.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.539 -0.3 . . . . 0.0 111.514 -177.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 47.9 m -75.39 -22.8 57.17 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.616 0.598 . . . . 0.0 112.616 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 53.2 mtm-85 -95.31 -49.5 5.44 Favored 'General case' 0 CA--C 1.512 -0.483 0 CA-C-O 121.419 0.628 . . . . 0.0 109.768 -178.41 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.487 HG21 ' O ' ' A' ' 35' ' ' ALA . 60.3 t -59.12 -32.73 48.6 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.837 0 CA-C-N 114.511 -1.222 . . . . 0.0 111.394 -177.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.485 ' HB2' ' HB3' ' B' ' 101' ' ' SER . 33.4 p -72.62 -12.8 61.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.962 0.411 . . . . 0.0 111.612 -179.422 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 35.3 t -90.91 -18.55 24.57 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.719 0.771 . . . . 0.0 109.124 176.613 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . 0.492 ' OD1' HD12 ' A' ' 61' ' ' ILE . 9.4 m120 -90.77 -27.91 18.6 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 114.878 -1.056 . . . . 0.0 110.141 -174.155 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.526 HG13 ' N ' ' A' ' 44' ' ' ALA . 5.3 pt -56.05 -41.32 68.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.377 -0.828 . . . . 0.0 111.654 -178.456 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.526 ' N ' HG13 ' A' ' 43' ' ' ILE . . . -79.84 -11.21 59.83 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.0 0.428 . . . . 0.0 110.861 -176.691 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -90.33 -51.23 5.54 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.423 -179.193 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 55.3 mt -67.66 -33.41 61.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.597 -178.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.425 ' HB1' HD13 ' B' ' 96' ' ' ILE . . . -62.23 -24.33 67.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.138 0.494 . . . . 0.0 110.763 177.404 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 43.6 t -92.37 -50.36 5.68 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.114 -178.466 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -83.41 -24.32 51.35 Favored Glycine 0 CA--C 1.519 0.284 0 C-N-CA 120.814 -0.708 . . . . 0.0 113.441 -174.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 73.13 -73.68 1.05 Allowed Glycine 0 C--O 1.226 -0.368 0 N-CA-C 111.632 -0.587 . . . . 0.0 111.632 -178.523 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -120.99 -25.94 5.26 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.03 0.443 . . . . 0.0 110.52 178.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 32.9 t -71.58 -14.69 62.16 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.728 -176.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -86.69 -17.7 33.08 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.636 -178.066 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.411 ' N ' ' HD2' ' A' ' 55' ' ' PRO . 41.0 mt -55.63 -58.7 14.25 Favored Pre-proline 0 CA--C 1.534 0.348 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.977 -176.517 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.411 ' HD2' ' N ' ' A' ' 54' ' ' LEU . 20.3 Cg_endo -61.26 -20.84 69.8 Favored 'Trans proline' 0 C--N 1.356 0.927 0 C-N-CA 122.134 1.889 . . . . 0.0 112.52 -176.454 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 15.0 m -89.23 -44.54 10.2 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.046 0.451 . . . . 0.0 110.803 -179.363 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 70.8 t -75.65 -39.18 39.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.388 -174.011 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.506 HG12 ' HG ' ' A' ' 83' ' ' LEU . 64.5 mt -58.64 -42.36 84.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.085 176.587 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 35.0 t -65.07 -42.02 94.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.43 . . . . 0.0 109.959 178.757 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 78.6 m-20 -56.23 -51.03 69.58 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.202 179.08 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.492 HD12 ' OD1' ' A' ' 42' ' ' ASN . 36.7 mt -72.16 -45.69 61.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.067 -178.578 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.447 ' O ' HG21 ' A' ' 66' ' ' VAL . 60.3 t80 -55.91 -54.03 49.62 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-O 120.471 0.177 . . . . 0.0 110.935 -177.004 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 20.2 t -59.66 -34.12 72.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.02 0.438 . . . . 0.0 109.929 -179.706 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -67.65 -44.53 81.47 Favored Glycine 0 C--N 1.332 0.325 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.898 179.677 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.445 HG11 HG13 ' A' ' 70' ' ' VAL . 58.5 t -68.88 -41.07 81.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 120.784 0.326 . . . . 0.0 110.887 179.615 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.447 HG21 ' O ' ' A' ' 62' ' ' TYR . 91.8 t -62.72 -38.33 81.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.691 0.282 . . . . 0.0 110.762 179.286 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.35 -13.61 62.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.296 178.73 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 32.8 t -76.76 -18.23 58.58 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.611 179.049 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 102.26 25.72 7.71 Favored Glycine 0 C--N 1.333 0.391 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.919 178.182 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.445 HG13 HG11 ' A' ' 65' ' ' VAL . 12.7 p -89.68 163.4 2.36 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 N-CA-C 110.225 -0.287 . . . . 0.0 110.225 -179.389 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 37.9 t -68.43 147.98 51.29 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.735 -0.468 . . . . 0.0 109.735 174.319 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 5.1 m -57.25 -49.58 75.59 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.128 0.418 . . . . 0.0 112.128 -174.531 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -74.22 -31.41 62.61 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.802 0.334 . . . . 0.0 110.487 -175.02 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.597 ' HA ' ' CE1' ' A' ' 23' ' ' TYR . 37.7 tt0 -71.55 -31.36 66.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.1 0.476 . . . . 0.0 109.72 177.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.67 -37.93 85.88 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.635 -0.711 . . . . 0.0 111.133 177.424 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -55.53 -45.26 77.19 Favored 'General case' 0 CA--C 1.52 -0.21 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 179.216 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.655 ' O ' ' HG ' ' A' ' 81' ' ' LEU . 42.1 mm -65.33 -56.21 16.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.815 -178.465 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . 0.428 ' HB2' ' HB3' ' A' ' 26' ' ' ALA . 17.8 tt0 -57.91 -46.74 84.52 Favored 'General case' 0 N--CA 1.463 0.212 0 C-N-CA 121.157 -0.217 . . . . 0.0 111.304 -179.762 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.81 -37.51 82.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.959 0.409 . . . . 0.0 110.794 -178.767 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.606 ' O ' HD23 ' A' ' 84' ' ' LEU . 6.0 mt -73.67 -41.34 62.81 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.951 178.024 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.655 ' HG ' ' O ' ' A' ' 77' ' ' ILE . 93.4 mt -59.35 -42.32 91.28 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.883 0.373 . . . . 0.0 110.828 178.59 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -66.43 -35.25 79.83 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.533 175.344 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.506 ' HG ' HG12 ' A' ' 58' ' ' ILE . 3.5 tm? -66.05 -42.55 89.36 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-O 121.311 0.577 . . . . 0.0 109.684 177.526 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.606 HD23 ' O ' ' A' ' 80' ' ' LEU . 4.0 mm? -66.54 -13.27 60.74 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.251 -0.886 . . . . 0.0 111.709 -179.716 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 48.6 m -91.81 -32.13 15.48 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 120.967 0.413 . . . . 0.0 110.577 -176.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -68.56 -47.46 66.79 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.987 -177.522 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.471 ' O ' HG23 ' A' ' 90' ' ' VAL . 1.0 OUTLIER -76.28 -24.21 54.43 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 113.046 0.758 . . . . 0.0 113.046 -171.566 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.46 ' N ' HD12 ' A' ' 87' ' ' LEU . 19.5 m -85.41 -21.31 7.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 C-N-CA 120.093 -0.643 . . . . 0.0 110.428 177.043 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 70.7 t60 -71.78 -37.22 70.48 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.29 178.382 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.471 HG23 ' O ' ' A' ' 87' ' ' LEU . 16.6 m -64.41 -26.12 39.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 C-N-CA 120.699 -0.401 . . . . 0.0 111.178 -175.123 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.452 ' HA ' ' HB1' ' A' ' 94' ' ' ALA . 3.6 mm? -66.94 -22.07 65.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.037 179.223 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 26.2 t -59.76 -29.52 68.23 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-O 120.79 0.329 . . . . 0.0 110.684 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 8.5 t -123.2 13.28 9.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.408 0.623 . . . . 0.0 109.915 -179.683 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . 0.452 ' HB1' ' HA ' ' A' ' 91' ' ' LEU . . . -101.93 98.0 8.28 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.618 179.573 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 33.2 t -72.63 84.57 1.16 Allowed 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.169 -0.469 . . . . 0.0 109.789 176.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.443 HD11 ' HB3' ' B' ' 47' ' ' ALA . 18.6 tt -68.0 142.79 15.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.703 178.58 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -82.5 -97.16 0.5 Allowed Glycine 0 N--CA 1.447 -0.605 0 C-N-CA 120.595 -0.812 . . . . 0.0 111.586 178.617 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 11.3 t30 -145.23 124.73 13.15 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.869 0.366 . . . . 0.0 110.299 176.63 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.422 HG12 ' HB2' ' B' ' 93' ' ' SER . 15.4 m -100.26 151.95 4.95 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.493 -179.748 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 48.7 m -117.16 150.22 39.07 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.459 -178.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' SER . . . . . 0.437 ' HB3' ' HB2' ' B' ' 40' ' ' SER . 47.2 m -80.46 44.38 0.7 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.451 -177.399 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 7.7 p -136.22 130.81 48.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-O 121.081 0.467 . . . . 0.0 110.423 -178.024 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 101.11 -12.3 58.8 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.829 -0.7 . . . . 0.0 112.504 178.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.422 ' O ' HD12 ' A' ' 108' ' ' LEU . 21.2 t -57.23 -33.51 43.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.716 0.293 . . . . 0.0 110.318 178.209 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -50.8 -42.37 58.03 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.595 177.696 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 15.5 m -77.12 -39.11 50.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.35 -178.214 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 31.8 m -59.75 -35.42 74.56 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-O 121.148 0.499 . . . . 0.0 110.57 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.509 ' O ' ' HG3' ' A' ' 112' ' ' GLN . 2.9 mt -61.47 -26.1 67.68 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.517 -0.765 . . . . 0.0 111.754 179.268 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . 0.497 ' N ' HD21 ' A' ' 109' ' ' ASN . 0.8 OUTLIER -72.95 -23.7 60.71 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.073 0.464 . . . . 0.0 110.325 179.855 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 33.5 t -85.07 -39.47 14.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.934 -176.741 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.502 HG13 ' O ' ' A' ' 108' ' ' LEU . 11.3 p -60.58 -29.43 44.7 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.332 0 CA-C-O 121.301 0.572 . . . . 0.0 110.535 -178.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . 0.509 ' HG3' ' O ' ' A' ' 108' ' ' LEU . 25.4 mt-30 -67.39 -21.52 65.6 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.29 -178.499 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -85.62 -26.33 26.12 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.317 0.58 . . . . 0.0 110.809 -173.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 6.7 m -83.82 -44.85 13.92 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.709 -173.604 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . 0.446 HG13 HD22 ' B' ' 81' ' ' LEU . 9.6 p -107.98 -21.41 5.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-O 121.045 0.45 . . . . 0.0 111.376 -173.106 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -57.82 -28.88 60.98 Favored Glycine 0 C--O 1.229 -0.205 0 CA-C-N 115.919 -0.582 . . . . 0.0 113.192 -176.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . 0.407 HE21 ' HB2' ' A' ' 117' ' ' GLN . 0.0 OUTLIER -78.47 -14.81 59.19 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-O 120.606 0.241 . . . . 0.0 111.532 -178.637 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 82.7 m-85 -97.08 -35.43 10.81 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-O 121.037 0.446 . . . . 0.0 110.376 -179.39 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 33.5 m . . . . . 0 C--N 1.323 -0.551 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.963 178.85 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 8.8 m . . . . . 0 N--CA 1.443 -0.802 0 N-CA-C 110.243 -0.28 . . . . 0.0 110.243 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -148.29 126.18 11.96 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.332 -178.891 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -82.12 -15.16 54.34 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.446 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.14 -30.49 77.92 Favored Glycine 0 CA--C 1.509 -0.296 0 C-N-CA 120.996 -0.621 . . . . 0.0 111.851 179.121 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 26' ' ' ALA . . . . . 0.408 ' HB1' ' HB2' ' B' ' 78' ' ' GLN . . . -78.16 -0.24 27.57 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.072 0.463 . . . . 0.0 110.913 178.642 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 27' ' ' VAL . . . . . 0.506 HG21 ' CD1' ' B' ' 81' ' ' LEU . 2.6 t -110.45 -49.27 6.68 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.441 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.021 -177.659 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 10.4 p30 -74.15 0.79 12.84 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 120.382 -0.527 . . . . 0.0 111.079 -177.32 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 80.4 ttt180 -93.69 -5.01 49.5 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.35 0.595 . . . . 0.0 109.962 175.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . 0.43 ' HG ' ' O ' ' B' ' 27' ' ' VAL . 84.9 mt -74.42 -22.59 59.07 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.962 -177.817 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 59.8 p -81.23 6.8 12.97 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.422 179.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 41.5 t -89.04 156.35 18.9 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.572 -0.74 . . . . 0.0 109.756 177.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.55 -21.98 63.15 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.791 0.329 . . . . 0.0 111.116 -179.809 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -52.53 -63.33 1.18 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.958 178.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 35' ' ' ALA . . . . . 0.45 ' O ' HG23 ' B' ' 39' ' ' VAL . . . -61.44 -46.12 91.42 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.104 -178.482 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -58.66 -24.28 60.89 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.676 0.274 . . . . 0.0 111.737 -177.047 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 28.6 t -88.31 -16.72 32.35 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.739 179.663 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 58.4 mtm-85 -101.61 -49.96 3.86 Favored 'General case' 0 CA--C 1.513 -0.447 0 CA-C-O 121.49 0.662 . . . . 0.0 109.729 -179.19 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 39' ' ' VAL . . . . . 0.479 HG22 HD21 ' A' ' 108' ' ' LEU . 67.6 t -58.31 -31.66 43.07 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.756 0 CA-C-N 114.604 -1.18 . . . . 0.0 111.472 -178.254 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 40' ' ' SER . . . . . 0.437 ' HB2' ' HB3' ' A' ' 101' ' ' SER . 63.8 p -78.05 -7.05 56.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.898 0.38 . . . . 0.0 111.276 -177.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 40.8 t -94.19 -21.5 19.03 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.756 0.788 . . . . 0.0 109.068 174.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 42' ' ' ASN . . . . . 0.461 ' OD1' HD11 ' B' ' 61' ' ' ILE . 10.2 m120 -86.34 -28.3 23.75 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 114.81 -1.086 . . . . 0.0 109.81 -173.113 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 43' ' ' ILE . . . . . 0.518 HG13 ' N ' ' B' ' 44' ' ' ALA . 5.4 pt -55.11 -42.36 64.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 114.976 -1.011 . . . . 0.0 111.966 -176.891 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 44' ' ' ALA . . . . . 0.518 ' N ' HG13 ' B' ' 43' ' ' ILE . . . -80.18 -12.46 59.64 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.174 0.511 . . . . 0.0 111.014 -175.11 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -90.31 -50.44 5.97 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.041 -179.332 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 54.2 mt -65.42 -33.71 65.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.433 -179.776 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . 0.443 ' HB3' HD11 ' A' ' 96' ' ' ILE . . . -65.05 -17.03 64.1 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.612 179.457 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 24.7 t -99.37 -39.03 8.59 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.782 0.325 . . . . 0.0 111.05 -177.716 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -99.53 -22.03 13.46 Favored Glycine 0 CA--C 1.518 0.25 0 C-N-CA 120.445 -0.884 . . . . 0.0 113.539 -175.096 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 76.2 -81.73 1.05 Allowed Glycine 0 N--CA 1.448 -0.562 0 N-CA-C 111.132 -0.787 . . . . 0.0 111.132 -178.237 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -115.17 -20.27 10.48 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-O 121.325 0.584 . . . . 0.0 109.84 177.055 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 8.4 t -74.72 -6.92 51.49 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.401 -0.818 . . . . 0.0 110.415 -176.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -101.03 -11.39 19.7 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.904 179.759 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 54' ' ' LEU . . . . . 0.426 ' N ' ' HD2' ' B' ' 55' ' ' PRO . 59.1 mt -56.99 -56.16 36.3 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.894 -177.082 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 55' ' ' PRO . . . . . 0.426 ' HD2' ' N ' ' B' ' 54' ' ' LEU . 19.7 Cg_endo -62.02 -25.94 78.08 Favored 'Trans proline' 0 C--N 1.349 0.588 0 C-N-CA 121.85 1.7 . . . . 0.0 112.558 -178.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 15.3 m -78.05 -36.66 48.17 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.326 0.584 . . . . 0.0 110.601 178.635 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 57.0 t -90.56 -44.78 14.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.567 -171.356 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 58' ' ' ILE . . . . . 0.482 HG12 ' HG ' ' B' ' 83' ' ' LEU . 51.6 mt -56.41 -43.19 76.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 121.01 0.433 . . . . 0.0 110.982 -179.682 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 74.3 m -68.97 -28.41 66.59 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.89 -177.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 80.1 m-20 -68.36 -45.02 73.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.986 0.422 . . . . 0.0 110.543 175.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . 0.461 HD11 ' OD1' ' B' ' 42' ' ' ASN . 40.1 mt -71.18 -45.74 69.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.036 179.366 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 62' ' ' TYR . . . . . 0.43 ' O ' HG22 ' B' ' 66' ' ' VAL . 52.3 t80 -56.78 -50.61 71.78 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.866 -177.077 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 63.1 m -60.56 -30.71 69.95 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.931 0.396 . . . . 0.0 110.683 178.65 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -70.93 -43.74 57.31 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.797 -0.716 . . . . 0.0 111.852 179.47 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 65' ' ' VAL . . . . . 0.452 HG13 HG12 ' B' ' 70' ' ' VAL . 79.3 t -68.43 -45.85 81.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-O 120.783 0.325 . . . . 0.0 111.185 -179.414 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 66' ' ' VAL . . . . . 0.43 HG22 ' O ' ' B' ' 62' ' ' TYR . 88.5 t -60.85 -37.07 75.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.251 -178.889 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.33 -15.25 62.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.779 179.724 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 39.3 t -74.47 -18.64 60.6 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.93 0.395 . . . . 0.0 110.656 179.041 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 95.97 35.04 5.7 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.609 -0.805 . . . . 0.0 112.23 -178.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . 0.452 HG12 HG13 ' B' ' 65' ' ' VAL . 14.5 p -97.36 161.51 2.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 110.076 -0.342 . . . . 0.0 110.076 179.661 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 34.3 t -61.96 144.82 54.5 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 110.074 -0.343 . . . . 0.0 110.074 175.213 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 5.3 p -60.55 -47.08 87.76 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 111.924 0.342 . . . . 0.0 111.924 -175.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -70.91 -30.83 67.28 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.891 0.376 . . . . 0.0 110.124 -178.27 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -76.64 -32.6 58.1 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.129 0.49 . . . . 0.0 110.008 179.735 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.55 -39.46 91.16 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.67 -0.695 . . . . 0.0 111.304 177.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 76' ' ' LEU . . . . . 0.408 ' O ' ' HB2' ' B' ' 80' ' ' LEU . 2.7 tm? -53.99 -39.97 66.53 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.227 178.649 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 77' ' ' ILE . . . . . 0.615 ' O ' ' HG ' ' B' ' 81' ' ' LEU . 43.0 mm -69.63 -55.52 14.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.223 -178.568 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 78' ' ' GLN . . . . . 0.408 ' HB2' ' HB1' ' B' ' 26' ' ' ALA . 30.9 tt0 -57.86 -47.03 83.92 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 120.616 0.246 . . . . 0.0 111.162 179.373 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.5 -35.67 76.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.796 -178.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 80' ' ' LEU . . . . . 0.581 ' O ' HD23 ' B' ' 84' ' ' LEU . 4.0 mt -75.93 -42.23 49.41 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.218 178.666 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . 0.615 ' HG ' ' O ' ' B' ' 77' ' ' ILE . 20.4 mt -65.19 -36.88 85.58 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 120.748 0.309 . . . . 0.0 110.915 -177.862 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 -63.47 -35.94 82.09 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.195 171.72 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 83' ' ' LEU . . . . . 0.482 ' HG ' HG12 ' B' ' 58' ' ' ILE . 3.4 tm? -67.27 -41.85 84.84 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-O 121.172 0.511 . . . . 0.0 109.688 177.686 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 84' ' ' LEU . . . . . 0.581 HD23 ' O ' ' B' ' 80' ' ' LEU . 4.2 mm? -66.54 -12.67 58.81 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.438 -0.801 . . . . 0.0 111.736 -179.741 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 85' ' ' SER . . . . . 0.451 ' OG ' HG11 ' A' ' 111' ' ' VAL . 47.7 m -91.71 -31.99 15.6 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 120.978 0.418 . . . . 0.0 110.408 -177.181 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -69.11 -46.03 68.72 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.9 -176.593 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 87' ' ' LEU . . . . . 0.435 HD13 ' N ' ' B' ' 88' ' ' VAL . 1.4 pp -77.34 -18.04 57.76 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.494 -0.776 . . . . 0.0 113.087 -171.692 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 88' ' ' VAL . . . . . 0.435 ' N ' HD13 ' B' ' 87' ' ' LEU . 15.6 m -90.6 -21.84 6.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 C-N-CA 120.097 -0.641 . . . . 0.0 110.677 176.584 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 89' ' ' HIS . . . . . . . . . . . . . 74.7 t60 -71.4 -35.11 70.9 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.051 178.019 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 90' ' ' VAL . . . . . 0.422 HG23 ' O ' ' B' ' 87' ' ' LEU . 22.2 m -65.18 -28.53 44.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.751 -176.437 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 91' ' ' LEU . . . . . 0.444 ' HA ' ' HB1' ' B' ' 94' ' ' ALA . 3.1 mm? -62.82 -23.35 67.23 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.924 -179.756 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 22.7 t -67.19 -20.37 65.7 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.065 -179.725 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 93' ' ' SER . . . . . 0.422 ' HB2' HG12 ' A' ' 99' ' ' VAL . 17.9 m -124.27 12.43 8.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.357 0.599 . . . . 0.0 110.169 177.238 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 94' ' ' ALA . . . . . 0.444 ' HB1' ' HA ' ' B' ' 91' ' ' LEU . . . -111.0 101.13 9.71 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.048 -178.353 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 22.7 t -78.0 89.54 4.16 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 176.695 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 96' ' ' ILE . . . . . 0.425 HD13 ' HB1' ' A' ' 47' ' ' ALA . 20.1 tt -67.47 144.07 14.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.268 -179.222 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 97' ' ' GLY . . . . . . . . . . . . . . . -95.73 -116.93 3.15 Favored Glycine 0 N--CA 1.445 -0.722 0 C-N-CA 120.864 -0.684 . . . . 0.0 112.408 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 98' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -112.42 103.65 11.76 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.064 0.459 . . . . 0.0 110.591 -176.526 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 99' ' ' VAL . . . . . . . . . . . . . 14.4 m -89.29 163.82 2.31 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.35 175.651 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 100' ' ' SER . . . . . . . . . . . . . 66.5 m -142.67 157.65 44.46 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.211 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 101' ' ' SER . . . . . 0.485 ' HB3' ' HB2' ' A' ' 40' ' ' SER . 51.0 m -74.72 -14.42 60.72 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.332 0.587 . . . . 0.0 111.191 -177.536 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 44.4 t -77.88 101.2 3.48 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.944 -176.047 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . 129.35 -10.26 6.17 Favored Glycine 0 N--CA 1.448 -0.503 0 CA-C-N 115.758 -0.656 . . . . 0.0 112.952 176.779 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 104' ' ' VAL . . . . . . . . . . . . . 29.6 t -59.61 -35.36 58.99 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.272 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 175.146 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -49.47 -41.41 40.3 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.044 -0.98 . . . . 0.0 110.811 175.364 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 20.5 m -81.67 -35.11 30.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.579 -176.646 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 23.9 m -63.2 -38.13 89.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.143 0.497 . . . . 0.0 111.072 -179.677 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 108' ' ' LEU . . . . . 0.609 ' O ' HG11 ' B' ' 111' ' ' VAL . 4.5 mt -57.81 -33.87 69.04 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.442 -0.799 . . . . 0.0 111.964 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 109' ' ' ASN . . . . . . . . . . . . . 19.0 m-80 -69.39 -20.35 63.81 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.817 0.341 . . . . 0.0 111.406 -179.385 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 110' ' ' VAL . . . . . . . . . . . . . 40.1 t -87.88 -38.8 12.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.024 -178.153 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 111' ' ' VAL . . . . . 0.609 HG11 ' O ' ' B' ' 108' ' ' LEU . 7.7 p -61.39 -27.53 42.11 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.274 0 CA-C-O 121.519 0.676 . . . . 0.0 110.303 -179.059 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 112' ' ' GLN . . . . . 0.505 ' HG3' ' O ' ' B' ' 108' ' ' LEU . 24.7 mt-30 -67.15 -22.35 65.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.295 -0.866 . . . . 0.0 111.242 -179.463 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 113' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -79.88 -38.8 31.85 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.599 -175.583 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 4.2 m -77.89 -41.52 36.38 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.311 -0.858 . . . . 0.0 112.151 -169.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 115' ' ' VAL . . . . . . . . . . . . . 8.7 p -108.36 -19.67 6.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-O 120.851 0.358 . . . . 0.0 111.364 -173.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 116' ' ' GLY . . . . . . . . . . . . . . . -57.53 -26.38 56.87 Favored Glycine 0 C--O 1.227 -0.314 0 CA-C-N 116.095 -0.502 . . . . 0.0 113.149 -178.359 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -87.28 6.53 32.89 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 111.899 0.333 . . . . 0.0 111.899 -178.086 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 118' ' ' TYR . . . . . . . . . . . . . 66.4 m-85 -119.86 -27.63 5.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.172 0.51 . . . . 0.0 110.428 176.781 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 119' ' ' VAL . . . . . 0.413 ' O ' ' HB3' ' A' ' 22' ' ' SER . 31.0 m -91.26 1.99 8.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.286 177.742 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.112 -1.382 . . . . 0.0 111.805 179.277 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 19.2 m . . . . . 0 N--CA 1.442 -0.841 0 CA-C-O 120.678 0.275 . . . . 0.0 110.418 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.52 ' CE1' ' HA ' ' A' ' 74' ' ' GLU . 0.1 OUTLIER -148.4 117.88 6.97 Favored 'General case' 0 N--CA 1.446 -0.629 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 -179.937 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -80.44 -23.69 40.12 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.798 -176.326 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.31 -29.73 75.98 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.805 -0.712 . . . . 0.0 111.623 -178.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.436 ' HB2' ' HB2' ' A' ' 78' ' ' GLN . . . -70.0 -9.63 55.89 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.227 0.537 . . . . 0.0 110.219 176.85 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.476 HG21 ' CD1' ' A' ' 81' ' ' LEU . 2.9 t -102.81 -46.93 10.94 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.464 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.461 179.547 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 46.8 m-80 -61.62 -30.39 70.67 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-O 121.287 0.565 . . . . 0.0 110.282 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 78.8 ttt180 -67.74 -14.13 62.69 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.247 -0.888 . . . . 0.0 111.371 -179.499 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.498 ' HB3' HD11 ' B' ' 108' ' ' LEU . 96.0 mt -66.65 -25.65 66.67 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.514 -177.627 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 31.8 p -80.99 10.91 4.46 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.281 0.562 . . . . 0.0 111.09 -179.713 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 28.2 t -93.69 159.62 15.13 Favored 'General case' 0 N--CA 1.449 -0.51 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 175.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.97 -21.28 63.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.236 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -52.21 -59.83 3.93 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.163 178.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.64 ' O ' HG23 ' A' ' 39' ' ' VAL . . . -61.24 -57.99 10.13 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.246 -179.43 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.88 -31.18 16.64 Favored 'General case' 0 N--CA 1.464 0.259 0 O-C-N 123.247 0.342 . . . . 0.0 111.815 -176.556 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 28.5 t -74.8 -26.77 59.96 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.698 -179.133 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.521 ' HD2' ' OE1' ' A' ' 82' ' ' GLU . 60.1 mtt180 -95.41 -46.04 6.87 Favored 'General case' 0 CA--C 1.516 -0.34 0 CA-C-O 121.944 0.878 . . . . 0.0 109.595 -177.668 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.64 HG23 ' O ' ' A' ' 35' ' ' ALA . 45.7 t -58.64 -40.72 80.09 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.773 0 CA-C-N 114.118 -1.401 . . . . 0.0 111.308 -176.715 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.468 ' HB2' ' HB3' ' B' ' 101' ' ' SER . 81.0 p -74.25 -12.36 60.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.062 0.458 . . . . 0.0 111.244 -178.082 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 40.1 t -89.03 -9.65 50.5 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.471 179.747 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 40.2 m-80 -120.91 -3.6 9.66 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.543 -174.712 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.507 HG13 ' N ' ' A' ' 44' ' ' ALA . 5.6 pt -58.56 -41.3 81.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.916 177.238 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.507 ' N ' HG13 ' A' ' 43' ' ' ILE . . . -77.45 -13.01 60.02 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.081 0.467 . . . . 0.0 110.79 -176.703 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -79.94 -52.96 7.2 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.97 179.335 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.4 HG22 ' HB3' ' A' ' 87' ' ' LEU . 27.9 mt -66.32 -33.84 66.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.492 -179.48 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.415 ' HB1' HD11 ' B' ' 96' ' ' ILE . . . -61.57 -22.28 65.05 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.388 178.399 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 34.0 m -101.77 -41.37 6.55 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.606 -175.101 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -93.76 -24.32 20.89 Favored Glycine 0 CA--C 1.517 0.204 0 C-N-CA 120.532 -0.842 . . . . 0.0 113.192 -176.64 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 73.73 -76.61 0.99 Allowed Glycine 0 N--CA 1.451 -0.333 0 N-CA-C 111.728 -0.549 . . . . 0.0 111.728 -178.537 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -114.95 -27.34 7.41 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 121.082 0.468 . . . . 0.0 110.103 179.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 13.3 m -71.36 -9.97 59.0 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.516 -179.112 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -88.58 -20.06 25.51 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.583 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 50.8 mt -54.02 -56.5 25.19 Favored Pre-proline 0 CA--C 1.537 0.469 0 CA-C-N 116.175 -0.466 . . . . 0.0 112.136 -177.322 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_endo -65.78 -11.6 31.5 Favored 'Trans proline' 0 C--N 1.354 0.84 0 C-N-CA 122.13 1.887 . . . . 0.0 112.829 -179.199 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 29.8 m -92.55 -45.27 8.19 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.081 0.467 . . . . 0.0 110.223 176.746 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 89.0 t -77.24 -40.36 29.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.614 -172.036 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.476 HG12 HD22 ' A' ' 83' ' ' LEU . 58.3 mt -59.41 -46.17 92.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.119 176.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 58.1 m -68.5 -28.66 67.21 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.917 -178.309 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -65.29 -56.58 11.92 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.163 0.506 . . . . 0.0 110.504 175.163 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 55.3 mt -70.03 -43.14 79.46 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 115.517 -0.765 . . . . 0.0 111.496 -174.678 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 50.3 t80 -54.56 -48.05 72.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.251 -177.617 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 13.3 t -64.95 -25.5 67.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.112 0.482 . . . . 0.0 110.591 -179.419 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -76.57 -38.65 32.01 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.722 -0.751 . . . . 0.0 111.349 178.004 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.466 HG11 HG13 ' A' ' 70' ' ' VAL . 92.5 t -71.43 -45.77 67.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 120.848 0.356 . . . . 0.0 111.077 179.446 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 71.1 t -59.99 -34.53 56.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-O 121.034 0.445 . . . . 0.0 111.099 -179.463 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.37 -15.26 47.55 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.967 178.352 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 43.0 t -78.61 -16.22 57.62 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.592 0.234 . . . . 0.0 111.411 -178.638 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 91.08 32.24 9.1 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.567 -0.825 . . . . 0.0 111.948 -177.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.466 HG13 HG11 ' A' ' 65' ' ' VAL . 12.2 p -90.94 161.42 2.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 115.605 -0.297 . . . . 0.0 110.251 -178.505 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 46.7 t -61.41 147.17 45.89 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 110.148 -0.316 . . . . 0.0 110.148 175.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 9.5 m -56.41 -51.51 68.1 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-O 121.016 0.436 . . . . 0.0 111.458 -176.648 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -74.69 -27.23 60.31 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.184 -175.686 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.52 ' HA ' ' CE1' ' A' ' 23' ' ' TYR . 36.1 tt0 -74.98 -33.85 61.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.008 0.432 . . . . 0.0 110.495 179.38 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.18 -37.53 77.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.84 177.162 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -56.53 -43.68 80.07 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.234 179.045 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.582 ' O ' ' HG ' ' A' ' 81' ' ' LEU . 43.8 mm -66.43 -56.87 12.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.054 -177.88 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . 0.436 ' HB2' ' HB2' ' A' ' 26' ' ' ALA . 23.1 tt0 -57.08 -47.79 80.18 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.643 0.259 . . . . 0.0 111.104 -179.635 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.37 -35.93 78.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.953 -178.628 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.425 ' O ' ' HB3' ' A' ' 83' ' ' LEU . 4.2 mt -71.91 -45.23 61.95 Favored 'General case' 0 N--CA 1.449 -0.525 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.878 178.79 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.582 ' HG ' ' O ' ' A' ' 77' ' ' ILE . 20.2 mt -63.38 -35.98 82.21 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 120.925 0.393 . . . . 0.0 110.572 -177.804 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.521 ' OE1' ' HD2' ' A' ' 38' ' ' ARG . 53.1 mt-10 -65.11 -31.24 72.34 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.603 172.564 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.476 HD22 HG12 ' A' ' 58' ' ' ILE . 21.0 tp -70.87 -47.57 58.55 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-O 120.703 0.287 . . . . 0.0 110.837 175.123 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.467 ' O ' HG22 ' A' ' 88' ' ' VAL . 6.3 mp -59.58 -14.98 15.43 Favored 'General case' 0 C--O 1.223 -0.321 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.384 -178.838 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 39.8 m -88.27 -33.95 17.87 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.769 0.318 . . . . 0.0 111.067 -178.715 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -69.95 -41.39 74.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.384 0.612 . . . . 0.0 110.662 -175.782 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.543 HD13 ' N ' ' A' ' 88' ' ' VAL . 1.8 pp -79.13 -25.62 42.9 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.424 -0.807 . . . . 0.0 112.729 -172.495 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.543 ' N ' HD13 ' A' ' 87' ' ' LEU . 17.2 m -86.6 -22.72 7.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 C-N-CA 120.057 -0.657 . . . . 0.0 110.704 177.641 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 72.9 t60 -66.56 -38.95 88.19 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.241 178.159 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.438 ' HB ' ' CD1' ' B' ' 96' ' ' ILE . 22.3 m -67.41 -26.75 36.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.781 -174.267 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.477 ' HA ' ' HB1' ' A' ' 94' ' ' ALA . 3.4 mm? -61.78 -23.23 66.06 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.555 0.217 . . . . 0.0 111.185 -179.702 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 19.2 t -60.33 -31.93 70.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.768 -179.293 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 13.7 t -116.77 3.38 12.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.614 0.721 . . . . 0.0 109.795 -178.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . 0.477 ' HB1' ' HA ' ' A' ' 91' ' ' LEU . . . -94.53 102.55 14.49 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.629 -179.822 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 12.3 t -73.67 89.33 1.75 Allowed 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.716 178.145 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.449 ' CD1' ' HB ' ' B' ' 90' ' ' VAL . 16.3 tt -73.96 148.82 8.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.603 -178.657 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -89.06 -131.51 4.13 Favored Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 120.984 -0.627 . . . . 0.0 111.803 176.273 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 11.0 t30 -116.03 95.38 5.07 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.456 0.646 . . . . 0.0 110.299 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.435 HG11 ' HB3' ' B' ' 93' ' ' SER . 21.4 m -73.58 131.85 34.29 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.528 179.762 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 43.4 m -105.02 152.23 22.98 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.33 -177.246 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' SER . . . . . 0.426 ' HB3' ' HB2' ' B' ' 40' ' ' SER . 19.4 m -78.7 27.92 0.21 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.159 -0.473 . . . . 0.0 112.118 -175.809 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 63.4 t -122.47 120.11 60.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 120.802 0.334 . . . . 0.0 110.428 -177.068 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 113.15 -9.6 24.84 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.882 -0.675 . . . . 0.0 112.604 177.73 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.41 HG22 ' CD2' ' B' ' 89' ' ' HIS . 21.4 t -59.83 -30.47 45.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 C-N-CA 122.214 0.206 . . . . 0.0 111.146 -178.477 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -51.05 -38.85 53.98 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-O 121.263 0.554 . . . . 0.0 111.241 -179.567 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 23.2 t -71.55 -29.36 64.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.078 -178.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 19.2 m -71.88 -35.71 69.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.611 -176.668 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.578 ' O ' HG12 ' A' ' 111' ' ' VAL . 4.5 mm? -57.86 -36.1 71.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.738 177.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 18.0 m-80 -70.36 -16.6 62.99 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.644 -177.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 40.1 t -92.37 -39.55 11.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 120.704 0.288 . . . . 0.0 110.969 -178.252 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.578 HG12 ' O ' ' A' ' 108' ' ' LEU . 7.8 p -60.44 -28.49 42.38 Favored 'Isoleucine or valine' 0 C--O 1.236 0.351 0 CA-C-O 121.415 0.626 . . . . 0.0 110.611 -178.698 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . 0.507 ' HG3' ' O ' ' A' ' 108' ' ' LEU . 24.4 mt-30 -65.55 -26.84 68.06 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.027 -178.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -77.52 -34.68 53.95 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.747 -174.449 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 5.4 m -82.07 -41.31 20.74 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.671 -0.695 . . . . 0.0 112.094 -171.109 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . 0.473 HG12 HD22 ' B' ' 81' ' ' LEU . 12.9 p -105.57 -21.53 5.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 120.817 0.341 . . . . 0.0 111.196 -173.154 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -57.33 -28.23 58.86 Favored Glycine 0 C--N 1.331 0.278 0 CA-C-N 116.042 -0.526 . . . . 0.0 113.171 -176.658 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.88 -1.8 57.63 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.635 0.255 . . . . 0.0 111.595 -177.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 84.7 m-85 -110.85 -29.96 7.74 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.878 0.371 . . . . 0.0 110.624 177.523 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . 0.438 ' O ' ' HB3' ' B' ' 22' ' ' SER . 35.6 m . . . . . 0 C--N 1.328 -0.357 0 CA-C-O 121.254 0.549 . . . . 0.0 110.468 175.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 22' ' ' SER . . . . . 0.438 ' HB3' ' O ' ' A' ' 119' ' ' VAL . 27.2 m . . . . . 0 N--CA 1.447 -0.593 0 N-CA-C 110.101 -0.333 . . . . 0.0 110.101 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 23' ' ' TYR . . . . . 0.498 ' OH ' ' HB3' ' B' ' 73' ' ' ASN . 0.1 OUTLIER -148.95 117.55 6.57 Favored 'General case' 0 N--CA 1.445 -0.676 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.32 -178.166 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.14 -22.72 52.15 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.734 179.326 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.02 -28.77 73.3 Favored Glycine 0 N--CA 1.453 -0.201 0 C-N-CA 121.08 -0.581 . . . . 0.0 112.53 -178.533 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 26' ' ' ALA . . . . . 0.436 ' HB2' ' HB2' ' B' ' 78' ' ' GLN . . . -71.46 -19.88 62.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.307 0.575 . . . . 0.0 110.166 177.897 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 27' ' ' VAL . . . . . 0.45 ' CG1' ' HA ' ' A' ' 112' ' ' GLN . 2.3 t -90.34 -42.21 13.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.254 -0.884 . . . . 0.0 109.92 179.707 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 77.8 m-20 -67.17 -21.63 65.79 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.445 -0.798 . . . . 0.0 111.409 -175.185 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 6.5 ptp180 -88.83 3.9 49.56 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.937 0.399 . . . . 0.0 110.777 -179.363 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . 0.455 ' HB3' HD11 ' A' ' 108' ' ' LEU . 91.5 mt -75.1 -26.42 59.26 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.204 -178.821 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 11.2 p -78.59 1.77 21.51 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.248 0.547 . . . . 0.0 110.72 178.64 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 47.2 t -77.15 151.24 35.41 Favored 'General case' 0 N--CA 1.445 -0.687 0 N-CA-C 108.947 -0.761 . . . . 0.0 108.947 173.31 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.34 -16.77 49.41 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.895 0.378 . . . . 0.0 111.425 -178.16 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . 0.413 ' O ' ' HG3' ' B' ' 38' ' ' ARG . 27.6 mt-10 -55.72 -61.46 2.34 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.892 178.507 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 35' ' ' ALA . . . . . 0.528 ' O ' HG22 ' B' ' 39' ' ' VAL . . . -57.02 -51.8 67.82 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.665 179.619 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -58.05 -18.33 23.78 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 112.263 0.468 . . . . 0.0 112.263 -177.139 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 31.8 t -89.45 -27.98 20.02 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.384 178.274 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 38' ' ' ARG . . . . . 0.505 ' HD2' ' OE1' ' B' ' 82' ' ' GLU . 70.5 mtt180 -92.44 -47.44 7.16 Favored 'General case' 0 CA--C 1.515 -0.388 0 CA-C-O 121.938 0.875 . . . . 0.0 109.425 -176.151 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 39' ' ' VAL . . . . . 0.55 ' O ' HG21 ' B' ' 43' ' ' ILE . 59.9 t -57.52 -41.32 78.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 CA-C-N 114.02 -1.445 . . . . 0.0 110.673 -178.67 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 40' ' ' SER . . . . . 0.426 ' HB2' ' HB3' ' A' ' 101' ' ' SER . 65.2 p -72.78 -13.87 61.41 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.729 -177.453 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 35.3 t -90.84 -11.54 39.02 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.234 0.54 . . . . 0.0 110.399 -178.223 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 43.4 m-80 -117.75 -6.12 11.08 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.307 -175.616 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 43' ' ' ILE . . . . . 0.55 HG21 ' O ' ' B' ' 39' ' ' VAL . 6.6 pt -56.75 -43.43 79.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.472 179.556 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 44' ' ' ALA . . . . . 0.496 ' N ' HG13 ' B' ' 43' ' ' ILE . . . -74.8 -15.65 60.74 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.081 0.467 . . . . 0.0 111.166 -174.382 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -78.97 -51.08 10.12 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.8 179.573 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 34.2 mt -64.47 -33.61 64.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.512 179.483 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . 0.429 ' HB1' HD13 ' A' ' 96' ' ' ILE . . . -63.82 -25.78 68.33 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.415 179.222 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 38.9 m -99.37 -33.58 10.65 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.593 -175.579 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -97.36 -21.67 19.16 Favored Glycine 0 CA--C 1.517 0.215 0 C-N-CA 120.438 -0.887 . . . . 0.0 113.102 -178.064 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 74.43 -76.55 1.11 Allowed Glycine 0 N--CA 1.451 -0.334 0 N-CA-C 111.476 -0.65 . . . . 0.0 111.476 -178.763 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -123.2 -17.36 6.66 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-O 121.126 0.489 . . . . 0.0 110.57 179.066 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 7.7 m -72.2 -20.65 61.54 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.447 -177.686 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -90.42 -13.22 35.37 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.785 -176.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 54' ' ' LEU . . . . . 0.542 ' O ' HG13 ' B' ' 58' ' ' ILE . 37.4 mt -54.74 -58.63 13.45 Favored Pre-proline 0 C--N 1.326 -0.422 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.8 -177.566 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 55' ' ' PRO . . . . . 0.417 ' HD2' ' N ' ' B' ' 54' ' ' LEU . 19.6 Cg_endo -59.37 -22.93 68.0 Favored 'Trans proline' 0 C--N 1.353 0.804 0 C-N-CA 122.12 1.88 . . . . 0.0 112.417 -177.159 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 5.7 m -86.85 -40.25 15.08 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.213 0.53 . . . . 0.0 110.677 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 42.3 t -79.24 -39.05 20.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.497 -173.217 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 58' ' ' ILE . . . . . 0.542 HG13 ' O ' ' B' ' 54' ' ' LEU . 57.9 mt -59.04 -39.65 78.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.794 176.678 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 7.5 t -69.17 -38.22 78.6 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.088 -178.473 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 96.2 m-20 -61.03 -46.56 90.24 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.754 179.328 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 63.7 mt -74.75 -45.17 45.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 115.54 -0.755 . . . . 0.0 111.052 -178.789 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 62' ' ' TYR . . . . . 0.435 ' O ' HG23 ' B' ' 66' ' ' VAL . 53.8 t80 -56.29 -48.89 75.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.913 -179.253 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 32.3 t -60.61 -31.03 70.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.97 0.414 . . . . 0.0 110.444 179.124 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -73.6 -42.16 41.1 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.802 -0.714 . . . . 0.0 111.56 179.291 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 65' ' ' VAL . . . . . 0.452 HG12 HG13 ' B' ' 70' ' ' VAL . 96.0 t -66.51 -46.13 87.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-O 121.019 0.438 . . . . 0.0 110.92 178.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 66' ' ' VAL . . . . . 0.435 HG23 ' O ' ' B' ' 62' ' ' TYR . 98.9 t -62.87 -38.81 82.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.042 -179.005 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -73.18 -6.29 44.86 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.86 0.362 . . . . 0.0 111.668 -179.724 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 22.9 t -85.36 -14.65 45.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.932 0.396 . . . . 0.0 110.465 179.633 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 93.29 34.9 6.48 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.465 -0.874 . . . . 0.0 112.342 -179.281 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . 0.452 HG13 HG12 ' B' ' 65' ' ' VAL . 12.7 p -82.24 162.42 3.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 N-CA-C 110.133 -0.321 . . . . 0.0 110.133 177.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 28.9 t -66.31 146.09 54.99 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 174.349 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 7.4 m -52.53 -55.93 18.76 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 112.834 0.679 . . . . 0.0 112.834 -170.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 73' ' ' ASN . . . . . 0.498 ' HB3' ' OH ' ' B' ' 23' ' ' TYR . 0.2 OUTLIER -79.43 -24.99 42.11 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.967 0.413 . . . . 0.0 110.358 -176.363 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -69.03 -28.28 66.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.984 0.421 . . . . 0.0 110.203 179.122 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -54.68 -43.8 72.78 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.393 178.465 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -58.02 -43.74 86.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.449 -179.747 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 77' ' ' ILE . . . . . 0.625 ' O ' ' HG ' ' B' ' 81' ' ' LEU . 45.9 mm -65.79 -56.15 16.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.035 -177.306 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 78' ' ' GLN . . . . . 0.436 ' HB2' ' HB2' ' B' ' 26' ' ' ALA . 29.4 tt0 -58.05 -47.48 82.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.658 -0.246 . . . . 0.0 111.044 -179.663 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.91 -37.54 82.61 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.956 0.408 . . . . 0.0 110.787 -178.741 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 80' ' ' LEU . . . . . 0.402 ' O ' ' HB3' ' B' ' 83' ' ' LEU . 3.6 mt -70.96 -44.83 65.24 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.913 178.65 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . 0.625 ' HG ' ' O ' ' B' ' 77' ' ' ILE . 19.9 mt -63.9 -36.47 84.04 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 121.011 0.434 . . . . 0.0 110.682 -177.482 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 82' ' ' GLU . . . . . 0.505 ' OE1' ' HD2' ' B' ' 38' ' ' ARG . 50.6 mt-10 -63.76 -34.37 77.75 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.413 171.889 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 83' ' ' LEU . . . . . 0.483 HD23 HG12 ' B' ' 58' ' ' ILE . 23.6 tp -69.38 -46.33 67.18 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.873 0.368 . . . . 0.0 110.745 176.558 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 10.6 mp -59.62 -15.64 20.36 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.242 -179.626 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 85' ' ' SER . . . . . 0.417 ' OG ' HD13 ' A' ' 108' ' ' LEU . 30.3 m -91.46 -29.17 17.18 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.762 0.315 . . . . 0.0 110.802 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -71.47 -43.91 65.72 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.407 0.622 . . . . 0.0 110.437 -177.128 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 87' ' ' LEU . . . . . 0.425 HD13 ' N ' ' B' ' 88' ' ' VAL . 1.4 pp -80.19 -17.27 52.85 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.239 -0.891 . . . . 0.0 112.891 -172.08 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 88' ' ' VAL . . . . . 0.425 ' N ' HD13 ' B' ' 87' ' ' LEU . 17.0 m -92.5 -24.88 5.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 C-N-CA 120.509 -0.476 . . . . 0.0 110.64 175.85 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 89' ' ' HIS . . . . . 0.41 ' CD2' HG22 ' A' ' 104' ' ' VAL . 77.3 t60 -66.14 -35.91 81.73 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.013 -0.54 . . . . 0.0 109.886 178.514 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 90' ' ' VAL . . . . . 0.449 ' HB ' ' CD1' ' A' ' 96' ' ' ILE . 22.3 m -65.92 -25.62 36.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.456 -175.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 91' ' ' LEU . . . . . 0.444 ' HA ' ' HB1' ' B' ' 94' ' ' ALA . 3.5 mm? -66.33 -20.22 66.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.813 0.34 . . . . 0.0 111.141 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 22.9 t -66.46 -22.29 66.2 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.855 179.162 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 93' ' ' SER . . . . . 0.435 ' HB3' HG11 ' A' ' 99' ' ' VAL . 23.1 t -121.85 11.44 10.39 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.613 0.72 . . . . 0.0 109.594 177.782 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 94' ' ' ALA . . . . . 0.444 ' HB1' ' HA ' ' B' ' 91' ' ' LEU . . . -108.26 95.92 6.0 Favored 'General case' 0 N--CA 1.446 -0.65 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.805 -179.324 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 16.7 t -77.03 87.26 3.54 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.538 -0.542 . . . . 0.0 109.538 177.663 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 96' ' ' ILE . . . . . 0.438 ' CD1' ' HB ' ' A' ' 90' ' ' VAL . 17.8 tt -67.78 144.6 14.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.22 -179.031 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 97' ' ' GLY . . . . . . . . . . . . . . . -92.87 -96.06 1.44 Allowed Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 120.847 -0.692 . . . . 0.0 112.369 -179.604 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 98' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -133.2 118.9 19.19 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.637 0.256 . . . . 0.0 110.728 -178.391 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 99' ' ' VAL . . . . . . . . . . . . . 4.2 m -111.4 128.41 67.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.773 177.374 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 100' ' ' SER . . . . . . . . . . . . . 26.1 m -94.96 151.98 18.73 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.225 179.383 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 101' ' ' SER . . . . . 0.468 ' HB3' ' HB2' ' A' ' 40' ' ' SER . 48.2 m -80.7 7.78 9.46 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.896 0.379 . . . . 0.0 111.902 -177.115 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 60.5 t -103.17 115.77 45.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 120.893 0.378 . . . . 0.0 110.371 -178.234 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . 123.02 -8.06 9.21 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.908 -0.663 . . . . 0.0 112.84 177.263 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 104' ' ' VAL . . . . . . . . . . . . . 38.3 t -61.69 -28.71 44.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 N-CA-C 111.597 0.221 . . . . 0.0 111.597 -177.48 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -46.41 -44.98 17.69 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.767 -179.725 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 36.0 t -69.07 -30.13 68.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.366 -177.646 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 20.3 m -71.22 -24.76 62.26 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.188 0.518 . . . . 0.0 110.123 -178.021 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 108' ' ' LEU . . . . . 0.5 ' O ' ' HG3' ' B' ' 112' ' ' GLN . 4.5 mm? -68.34 -21.56 64.73 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.534 175.249 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 109' ' ' ASN . . . . . 0.535 HD21 ' N ' ' B' ' 109' ' ' ASN . 0.8 OUTLIER -78.22 -38.04 44.05 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.825 -177.735 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 110' ' ' VAL . . . . . . . . . . . . . 8.7 p -81.89 -27.58 9.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.428 -174.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 111' ' ' VAL . . . . . 0.416 HG12 ' O ' ' B' ' 108' ' ' LEU . 10.1 p -64.99 -33.34 63.04 Favored 'Isoleucine or valine' 0 C--O 1.236 0.355 0 CA-C-O 121.173 0.511 . . . . 0.0 110.192 178.04 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 112' ' ' GLN . . . . . 0.5 ' HG3' ' O ' ' B' ' 108' ' ' LEU . 25.4 mt-30 -64.08 -27.86 69.39 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.648 -0.706 . . . . 0.0 110.389 179.064 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 113' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -76.67 -29.95 56.57 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 114.992 -1.004 . . . . 0.0 110.932 -175.249 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 6.3 m -85.27 -41.71 15.31 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.593 -0.73 . . . . 0.0 112.019 -172.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 115' ' ' VAL . . . . . 0.452 HG12 ' CD2' ' A' ' 81' ' ' LEU . 14.7 p -106.72 -22.04 5.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 120.783 0.325 . . . . 0.0 111.646 -172.404 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 116' ' ' GLY . . . . . . . . . . . . . . . -60.35 -22.68 59.06 Favored Glycine 0 C--O 1.228 -0.257 0 CA-C-N 116.201 -0.454 . . . . 0.0 113.107 -176.161 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.54 -0.2 52.24 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 111.729 0.27 . . . . 0.0 111.729 -178.75 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 118' ' ' TYR . . . . . . . . . . . . . 82.8 m-85 -115.01 -37.31 4.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.856 0.36 . . . . 0.0 110.67 177.432 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 119' ' ' VAL . . . . . 0.441 HG23 HG22 ' A' ' 27' ' ' VAL . 35.9 m -85.24 -1.06 6.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.485 -177.852 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.128 0 CA-C-O 117.904 -1.498 . . . . 0.0 111.408 178.756 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 5.7 m . . . . . 0 N--CA 1.451 -0.41 0 CA-C-O 120.678 0.275 . . . . 0.0 110.75 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.442 ' CE1' ' HA ' ' A' ' 74' ' ' GLU . 0.1 OUTLIER -150.06 111.26 4.4 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 178.766 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -78.06 -15.9 58.5 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.755 -177.41 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.66 -30.68 78.35 Favored Glycine 0 N--CA 1.452 -0.29 0 N-CA-C 111.47 -0.652 . . . . 0.0 111.47 179.527 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.504 ' HB2' ' HB2' ' A' ' 78' ' ' GLN . . . -71.27 -11.39 60.89 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.189 0.519 . . . . 0.0 110.537 177.053 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.583 HG22 ' CD1' ' A' ' 81' ' ' LEU . 3.4 t -98.0 -43.17 11.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.866 -176.799 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 47.1 m-80 -62.0 -31.96 72.38 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-O 121.098 0.475 . . . . 0.0 110.949 -178.21 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 79.4 ttt180 -68.25 -13.99 62.65 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.639 -0.709 . . . . 0.0 111.695 -178.339 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 81.6 mt -68.7 -21.12 64.43 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.838 0.351 . . . . 0.0 111.638 -176.437 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 32.0 t -79.3 -3.19 44.89 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.054 -177.601 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 39.8 m -86.83 157.56 19.53 Favored 'General case' 0 N--CA 1.442 -0.873 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.134 176.302 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.59 -16.49 48.6 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.779 -178.258 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -52.32 -59.88 3.88 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.707 178.512 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.627 ' O ' HG22 ' A' ' 39' ' ' VAL . . . -62.73 -51.98 65.05 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.527 -0.761 . . . . 0.0 110.179 179.011 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -48.51 -38.14 19.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.993 -176.393 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 32.5 m -74.29 -20.72 60.03 Favored 'General case' 0 CA--C 1.539 0.534 0 N-CA-C 112.152 0.427 . . . . 0.0 112.152 -178.156 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 50.6 mtm-85 -99.01 -40.79 7.87 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.593 0.711 . . . . 0.0 109.808 -177.608 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.627 HG22 ' O ' ' A' ' 35' ' ' ALA . 35.2 t -65.47 -39.88 86.53 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.832 0 CA-C-N 114.677 -1.147 . . . . 0.0 110.915 -178.813 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 80.8 p -77.47 -3.72 41.85 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.843 0.354 . . . . 0.0 111.872 -177.304 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 15.4 t -94.69 -16.81 22.79 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.508 0.67 . . . . 0.0 109.848 179.193 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 42.4 m-80 -110.97 -3.08 15.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.224 -176.293 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.447 HG21 ' O ' ' A' ' 39' ' ' VAL . 3.3 pt -61.21 -34.48 60.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-O 121.185 0.516 . . . . 0.0 110.464 175.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.438 ' N ' HG13 ' A' ' 43' ' ' ILE . . . -83.81 1.92 40.7 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.068 -178.371 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -99.73 -51.68 3.67 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.241 177.579 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 34.0 mt -65.8 -33.34 62.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.749 -178.325 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.414 ' HB2' HD11 ' B' ' 96' ' ' ILE . . . -66.92 -14.44 62.79 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.607 179.181 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 44.6 t -98.17 -42.9 7.22 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.099 -177.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -99.05 -21.59 15.24 Favored Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.418 -0.896 . . . . 0.0 113.334 -175.751 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 72.9 -76.75 0.84 Allowed Glycine 0 N--CA 1.452 -0.297 0 N-CA-C 111.596 -0.602 . . . . 0.0 111.596 -178.138 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -114.34 -22.64 9.8 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-O 121.219 0.533 . . . . 0.0 110.151 179.486 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.7 m -72.82 -11.56 60.65 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.609 -179.29 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -91.7 -19.36 22.71 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.717 -178.683 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.451 HD11 HG13 ' B' ' 88' ' ' VAL . 51.0 mt -53.51 -58.93 10.78 Favored Pre-proline 0 CA--C 1.534 0.352 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.918 -176.216 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.411 ' HD3' ' HB2' ' A' ' 54' ' ' LEU . 38.5 Cg_endo -66.44 -7.95 19.26 Favored 'Trans proline' 0 C--N 1.353 0.793 0 C-N-CA 122.213 1.942 . . . . 0.0 112.862 -176.321 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 46.4 m -101.54 -38.67 7.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.979 0.419 . . . . 0.0 110.926 178.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 71.6 t -80.19 -40.8 20.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.41 -175.657 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.457 HG12 ' HG ' ' A' ' 83' ' ' LEU . 68.8 mt -58.18 -38.33 67.5 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.318 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.945 176.529 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 31.8 t -66.6 -41.33 88.62 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.108 -179.406 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 95.5 m-20 -59.97 -53.9 52.39 Favored 'General case' 0 C--O 1.231 0.117 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.049 178.735 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 54.9 mt -68.57 -43.85 83.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 115.502 -0.772 . . . . 0.0 111.581 -176.124 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.424 ' O ' HG23 ' A' ' 66' ' ' VAL . 58.9 t80 -55.98 -50.47 70.74 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.735 0.302 . . . . 0.0 110.731 -177.835 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 55.7 m -66.67 -20.94 66.09 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.475 -178.597 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -79.14 -39.69 18.75 Favored Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 120.519 -0.848 . . . . 0.0 111.415 176.461 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.433 HG11 HG11 ' A' ' 70' ' ' VAL . 84.9 t -72.02 -44.25 66.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-O 120.825 0.345 . . . . 0.0 111.322 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.424 HG23 ' O ' ' A' ' 62' ' ' TYR . 95.3 t -60.04 -36.79 69.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.751 0.31 . . . . 0.0 111.075 -178.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.56 -8.12 31.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.864 179.6 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 22.7 t -83.84 -12.45 55.57 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.94 -179.5 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 96.35 32.82 6.48 Favored Glycine 0 N--CA 1.453 -0.225 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.428 179.332 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.433 HG11 HG11 ' A' ' 65' ' ' VAL . 12.6 p -100.79 156.48 4.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-O 120.553 0.216 . . . . 0.0 110.494 178.345 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 45.4 t -65.91 153.16 42.8 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.596 -0.274 . . . . 0.0 110.37 177.484 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 4.8 m -59.61 -51.13 71.15 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 112.039 0.385 . . . . 0.0 112.039 -174.722 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -71.3 -30.43 66.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.97 0.414 . . . . 0.0 110.05 -176.515 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.442 ' HA ' ' CE1' ' A' ' 23' ' ' TYR . 31.5 tt0 -75.09 -33.27 61.62 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.146 0.498 . . . . 0.0 110.029 178.499 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -62.66 -39.81 95.07 Favored 'General case' 0 CA--C 1.517 -0.312 0 CA-C-N 115.762 -0.653 . . . . 0.0 110.816 175.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -53.2 -42.64 66.47 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.038 178.264 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.701 ' O ' ' HG ' ' A' ' 81' ' ' LEU . 45.3 mm -66.48 -58.32 6.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.045 -179.482 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . 0.504 ' HB2' ' HB2' ' A' ' 26' ' ' ALA . 24.0 tt0 -56.43 -46.25 80.37 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-O 120.608 0.242 . . . . 0.0 111.312 -179.769 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.66 -39.18 90.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.98 -178.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.531 ' O ' HD21 ' A' ' 84' ' ' LEU . 5.8 mt -70.01 -37.71 75.74 Favored 'General case' 0 C--O 1.221 -0.444 0 CA-C-O 120.829 0.347 . . . . 0.0 110.923 177.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.701 ' HG ' ' O ' ' A' ' 77' ' ' ILE . 81.6 mt -69.08 -33.35 73.39 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-O 120.819 0.343 . . . . 0.0 111.067 -179.743 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -75.06 -15.68 60.61 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.256 0.55 . . . . 0.0 110.561 172.837 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.457 ' HG ' HG12 ' A' ' 58' ' ' ILE . 3.4 tm? -85.31 -43.98 13.24 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 175.492 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.531 HD21 ' O ' ' A' ' 80' ' ' LEU . 4.2 mm? -68.64 -9.18 48.36 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.275 -0.875 . . . . 0.0 112.024 -178.611 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 2.0 p -96.78 -32.1 12.3 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 120.876 0.369 . . . . 0.0 111.075 -179.331 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -66.0 -45.23 82.34 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.783 -179.467 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.466 ' O ' HG23 ' A' ' 90' ' ' VAL . 1.3 pp -79.5 -17.73 53.48 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 112.997 0.74 . . . . 0.0 112.997 -172.396 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.441 ' N ' HD13 ' A' ' 87' ' ' LEU . 16.9 m -91.5 -22.03 6.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 C-N-CA 120.19 -0.604 . . . . 0.0 110.592 176.623 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 67.8 t60 -70.3 -35.46 73.69 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 176.712 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.466 HG23 ' O ' ' A' ' 87' ' ' LEU . 19.0 m -64.86 -25.53 37.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.068 -177.589 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.456 ' HA ' ' HB2' ' A' ' 94' ' ' ALA . 2.8 mm? -63.7 -18.76 64.34 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.027 178.338 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 33.8 t -65.52 -23.55 66.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.74 178.272 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 6.7 t -127.68 11.55 6.74 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.665 0.745 . . . . 0.0 109.808 179.545 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . 0.456 ' HB2' ' HA ' ' A' ' 91' ' ' LEU . . . -108.5 89.1 2.89 Favored 'General case' 0 N--CA 1.446 -0.646 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.275 178.585 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 11.5 t -75.54 87.11 2.65 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.691 -179.794 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.468 ' CD1' ' HB ' ' B' ' 90' ' ' VAL . 18.1 tt -66.82 149.17 11.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 115.183 -0.917 . . . . 0.0 111.764 -176.849 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -97.59 -106.91 2.5 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.509 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -124.52 117.67 24.88 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.82 0.343 . . . . 0.0 110.389 -179.418 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.408 HG11 ' HA ' ' B' ' 90' ' ' VAL . 6.1 m -102.41 142.09 17.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.049 -179.637 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 36.8 t -92.01 145.94 24.13 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.163 -178.384 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 5.7 p -82.35 -0.94 48.14 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.296 0.569 . . . . 0.0 110.346 176.606 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 48.8 t -94.67 107.19 19.08 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.28 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.966 -175.287 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 122.23 -2.41 10.57 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.681 177.298 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.472 ' O ' HD12 ' A' ' 108' ' ' LEU . 39.9 t -59.54 -35.98 62.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 120.465 0.174 . . . . 0.0 110.729 178.911 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -54.51 -41.96 70.25 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 121.477 0.656 . . . . 0.0 109.688 179.181 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 6.0 m -72.07 -35.17 69.21 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 115.249 -0.887 . . . . 0.0 111.475 -177.56 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 59.8 m -64.46 -34.62 78.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.172 0.511 . . . . 0.0 110.039 177.153 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.654 ' O ' ' HG3' ' A' ' 112' ' ' GLN . 1.4 mt -61.72 -23.92 66.45 Favored 'General case' 0 C--O 1.221 -0.415 0 CA-C-N 115.604 -0.725 . . . . 0.0 111.025 177.681 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . 0.462 ' N ' HD21 ' A' ' 109' ' ' ASN . 0.9 OUTLIER -67.63 -31.82 72.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.075 0.464 . . . . 0.0 110.536 178.099 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 26.3 t -82.12 -37.87 15.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.844 -176.08 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.554 HG12 ' O ' ' A' ' 108' ' ' LEU . 7.6 p -61.61 -31.0 49.43 Favored 'Isoleucine or valine' 0 C--O 1.234 0.277 0 CA-C-O 121.384 0.611 . . . . 0.0 110.057 -178.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . 0.654 ' HG3' ' O ' ' A' ' 108' ' ' LEU . 25.1 mt-30 -66.07 -20.7 66.25 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.825 -179.053 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -87.79 -32.92 18.83 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.445 -175.7 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 12.9 m -81.52 -43.52 18.66 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.806 -173.1 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . 0.465 HG13 ' O ' ' A' ' 111' ' ' VAL . 7.3 p -108.18 -22.2 5.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 120.811 0.338 . . . . 0.0 111.283 -174.675 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -59.06 -28.42 63.82 Favored Glycine 0 CA--C 1.518 0.26 0 C-N-CA 121.279 -0.486 . . . . 0.0 113.002 -177.528 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.15 -5.22 58.3 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 111.792 0.293 . . . . 0.0 111.792 -178.593 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 89.3 m-85 -106.35 -28.7 10.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.945 0.402 . . . . 0.0 110.649 177.783 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . 0.473 ' O ' ' HB3' ' B' ' 22' ' ' SER . 35.1 m . . . . . 0 C--N 1.327 -0.371 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.979 177.653 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 22' ' ' SER . . . . . 0.473 ' HB3' ' O ' ' A' ' 119' ' ' VAL . 30.5 m . . . . . 0 N--CA 1.446 -0.657 0 CA-C-O 120.778 0.323 . . . . 0.0 110.443 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 23' ' ' TYR . . . . . 0.486 ' CE1' ' HA ' ' B' ' 74' ' ' GLU . 0.2 OUTLIER -150.04 120.05 7.19 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.278 -179.219 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -83.0 -19.87 36.17 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.101 179.667 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -67.69 -27.51 73.6 Favored Glycine 0 CA--C 1.508 -0.394 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.298 -177.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 26' ' ' ALA . . . . . 0.421 ' HB2' ' HB2' ' B' ' 78' ' ' GLN . . . -70.36 -14.04 62.4 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.175 0.512 . . . . 0.0 109.925 176.266 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 27' ' ' VAL . . . . . 0.464 ' CG1' ' HA ' ' A' ' 112' ' ' GLN . 2.6 t -96.24 -45.65 13.01 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.439 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.548 -178.625 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 58.5 m-80 -63.05 -23.17 67.32 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-O 120.873 0.368 . . . . 0.0 111.486 -176.045 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 4.3 ptm180 -92.41 8.96 36.23 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.047 0.451 . . . . 0.0 110.871 -174.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . 0.456 HD13 ' HB3' ' B' ' 81' ' ' LEU . 95.2 mt -73.57 -25.89 60.57 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.94 179.309 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 13.6 t -84.89 20.64 1.78 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.278 0.561 . . . . 0.0 110.134 177.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 69.7 m -94.68 151.18 19.5 Favored 'General case' 0 N--CA 1.44 -0.968 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.763 174.775 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -56.98 -23.39 45.52 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.781 -178.35 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -57.99 -54.68 44.22 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.439 178.151 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 35' ' ' ALA . . . . . 0.634 ' O ' HG23 ' B' ' 39' ' ' VAL . . . -67.76 -53.95 23.19 Favored 'General case' 0 CA--C 1.514 -0.426 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.729 -179.754 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.19 -37.43 34.96 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.03 0.381 . . . . 0.0 112.03 -175.406 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 29.6 m -80.08 -12.22 59.7 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 112.377 0.51 . . . . 0.0 112.377 -178.716 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 34.8 mtm180 -98.81 -47.84 5.15 Favored 'General case' 0 CA--C 1.515 -0.396 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 177.078 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 39' ' ' VAL . . . . . 0.634 HG23 ' O ' ' B' ' 35' ' ' ALA . 24.4 t -60.09 -36.83 70.09 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 CA-C-N 114.535 -1.211 . . . . 0.0 111.084 -178.568 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 60.6 p -72.98 -10.36 59.72 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.096 0.474 . . . . 0.0 111.332 179.611 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 22.8 t -92.61 -14.35 28.33 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.791 0.805 . . . . 0.0 109.149 177.077 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 42' ' ' ASN . . . . . 0.449 ' OD1' HD12 ' B' ' 61' ' ' ILE . 11.4 m120 -96.1 -27.3 15.14 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.063 -0.971 . . . . 0.0 109.967 -174.65 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 43' ' ' ILE . . . . . 0.574 HG13 ' N ' ' B' ' 44' ' ' ALA . 5.8 pt -56.56 -40.61 69.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 115.408 -0.814 . . . . 0.0 111.427 -178.845 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 44' ' ' ALA . . . . . 0.574 ' N ' HG13 ' B' ' 43' ' ' ILE . . . -81.72 -8.61 59.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.05 0.452 . . . . 0.0 111.077 -176.612 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -94.98 -49.46 5.54 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.094 -179.584 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 57.8 mt -65.51 -34.8 72.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.324 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . 0.404 ' CB ' HD11 ' A' ' 96' ' ' ILE . . . -68.74 -6.53 27.02 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.676 179.211 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 30.6 t -103.1 -11.31 18.18 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.797 -0.183 . . . . 0.0 111.4 -177.047 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -140.55 -27.3 0.21 Allowed Glycine 0 C--N 1.33 0.222 0 C-N-CA 119.979 -1.105 . . . . 0.0 113.414 -176.75 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 86.26 -73.07 2.57 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 121.145 -0.55 . . . . 0.0 111.728 -178.369 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -118.04 -21.88 8.08 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.796 0.331 . . . . 0.0 111.167 -179.255 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 6.1 m -70.2 -20.41 63.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.228 0.537 . . . . 0.0 111.047 -176.408 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -90.27 -13.72 34.75 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.127 -176.684 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 54' ' ' LEU . . . . . 0.418 HD11 HG12 ' A' ' 88' ' ' VAL . 39.9 mt -56.11 -57.99 19.05 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-N 116.069 -0.514 . . . . 0.0 112.022 -176.011 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 55' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -60.31 -26.82 83.57 Favored 'Trans proline' 0 C--N 1.353 0.781 0 C-N-CA 121.89 1.727 . . . . 0.0 112.669 -177.678 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 33.7 m -86.69 -23.95 25.39 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.062 0.458 . . . . 0.0 111.112 -178.372 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 42.8 t -92.99 -42.17 13.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.868 -177.267 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 58' ' ' ILE . . . . . 0.43 HG12 ' HG ' ' B' ' 83' ' ' LEU . 63.7 mt -61.08 -38.9 80.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.802 0.334 . . . . 0.0 110.522 179.503 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 5.6 t -65.47 -36.99 85.53 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.219 -0.446 . . . . 0.0 109.823 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 -62.82 -51.08 68.44 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.807 177.543 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . 0.449 HD12 ' OD1' ' B' ' 42' ' ' ASN . 46.7 mt -65.64 -47.3 86.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 115.648 -0.705 . . . . 0.0 111.215 -178.065 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 62' ' ' TYR . . . . . 0.461 ' O ' HG23 ' B' ' 66' ' ' VAL . 54.6 t80 -56.91 -47.96 79.34 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.787 0.327 . . . . 0.0 110.433 -178.66 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 23.0 m -64.02 -25.15 67.99 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.031 -0.532 . . . . 0.0 111.052 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -78.14 -43.37 13.66 Favored Glycine 0 N--CA 1.449 -0.473 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 176.203 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 65' ' ' VAL . . . . . 0.511 HG11 HG13 ' B' ' 70' ' ' VAL . 76.0 t -64.56 -46.86 91.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 115.285 -0.457 . . . . 0.0 111.084 -179.442 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 66' ' ' VAL . . . . . 0.461 HG23 ' O ' ' B' ' 62' ' ' TYR . 80.3 t -62.09 -40.0 85.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.949 -179.826 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -69.03 -13.87 62.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.678 -179.225 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 68' ' ' SER . . . . . 0.406 ' HB2' ' O ' ' B' ' 65' ' ' VAL . 56.9 m -73.05 -26.24 61.22 Favored 'General case' 0 N--CA 1.441 -0.881 0 CA-C-O 120.88 0.371 . . . . 0.0 110.94 179.288 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 104.1 39.24 2.51 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.659 -0.782 . . . . 0.0 111.855 -176.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . 0.511 HG13 HG11 ' B' ' 65' ' ' VAL . 13.6 p -97.08 163.34 2.45 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 N-CA-C 110.284 -0.265 . . . . 0.0 110.284 179.411 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 1.1 m -66.47 153.09 43.78 Favored 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 110.146 -0.316 . . . . 0.0 110.146 175.049 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 15.5 m -56.34 -56.36 22.08 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 112.718 0.636 . . . . 0.0 112.718 -173.145 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 73' ' ' ASN . . . . . 0.404 ' HB3' ' OH ' ' B' ' 23' ' ' TYR . 0.2 OUTLIER -79.44 -22.85 43.64 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.105 0.479 . . . . 0.0 110.243 -176.189 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 74' ' ' GLU . . . . . 0.486 ' HA ' ' CE1' ' B' ' 23' ' ' TYR . 32.4 tt0 -70.84 -29.28 65.37 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.917 178.861 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.1 -39.82 91.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.324 -0.853 . . . . 0.0 111.11 176.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 76' ' ' LEU . . . . . 0.414 HD21 ' HB3' ' B' ' 118' ' ' TYR . 2.7 tm? -56.28 -47.32 78.85 Favored 'General case' 0 CA--C 1.518 -0.257 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.977 179.594 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 77' ' ' ILE . . . . . 0.708 ' O ' ' HG ' ' B' ' 81' ' ' LEU . 41.5 mm -62.04 -57.74 10.7 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-N 115.284 -0.871 . . . . 0.0 110.953 -177.835 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 78' ' ' GLN . . . . . 0.421 ' HB2' ' HB2' ' B' ' 26' ' ' ALA . 36.3 tt0 -57.13 -46.48 82.63 Favored 'General case' 0 C--O 1.234 0.263 0 O-C-N 122.997 0.186 . . . . 0.0 111.282 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -59.68 -39.05 83.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.893 0.378 . . . . 0.0 110.878 -179.034 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 80' ' ' LEU . . . . . 0.682 ' O ' ' HG ' ' B' ' 84' ' ' LEU . 7.1 mt -72.11 -43.09 65.29 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.141 178.1 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . 0.708 ' HG ' ' O ' ' B' ' 77' ' ' ILE . 68.3 mt -58.53 -42.52 87.95 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.909 0.385 . . . . 0.0 111.007 -179.597 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 56.9 mt-10 -64.91 -33.57 76.34 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.477 176.279 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 83' ' ' LEU . . . . . 0.43 ' HG ' HG12 ' B' ' 58' ' ' ILE . 3.4 tm? -69.61 -39.62 77.11 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.608 -0.516 . . . . 0.0 109.608 177.883 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 84' ' ' LEU . . . . . 0.682 ' HG ' ' O ' ' B' ' 80' ' ' LEU . 12.8 mt -65.09 -17.64 64.63 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.202 -177.852 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 33.8 m -91.98 -32.16 15.34 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.001 0.429 . . . . 0.0 110.951 -173.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 86' ' ' ALA . . . . . 0.4 ' O ' HG11 ' B' ' 90' ' ' VAL . . . -67.41 -41.77 84.35 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.027 -176.661 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 87' ' ' LEU . . . . . 0.466 HD13 ' N ' ' B' ' 88' ' ' VAL . 1.3 pp -82.71 -20.24 36.47 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 112.934 0.716 . . . . 0.0 112.934 -172.23 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 88' ' ' VAL . . . . . 0.466 ' N ' HD13 ' B' ' 87' ' ' LEU . 15.9 m -89.06 -22.49 6.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 C-N-CA 120.175 -0.61 . . . . 0.0 110.758 177.25 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 89' ' ' HIS . . . . . . . . . . . . . 60.7 t60 -69.18 -37.96 78.43 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.049 177.016 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 90' ' ' VAL . . . . . 0.468 ' HB ' ' CD1' ' A' ' 96' ' ' ILE . 25.7 m -66.57 -28.36 43.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 N-CA-C 112.172 0.434 . . . . 0.0 112.172 -174.485 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 91' ' ' LEU . . . . . 0.432 ' HA ' ' HB2' ' B' ' 94' ' ' ALA . 2.3 mm? -62.59 -21.76 65.86 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-O 120.802 0.334 . . . . 0.0 111.082 -179.737 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 13.9 t -63.68 -24.17 67.67 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.164 -178.642 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 13.0 t -125.93 12.47 7.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.382 0.611 . . . . 0.0 110.043 178.311 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 94' ' ' ALA . . . . . 0.432 ' HB2' ' HA ' ' B' ' 91' ' ' LEU . . . -103.11 98.16 8.14 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.137 177.09 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 23.1 t -75.42 92.05 2.8 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.127 0.489 . . . . 0.0 109.708 179.02 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 96' ' ' ILE . . . . . 0.435 ' CD1' ' HB ' ' A' ' 90' ' ' VAL . 20.4 tt -73.47 145.62 11.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.968 -178.581 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 97' ' ' GLY . . . . . . . . . . . . . . . -92.72 -113.39 2.12 Favored Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.858 -0.687 . . . . 0.0 112.098 177.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 98' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -119.98 117.02 26.95 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.956 0.408 . . . . 0.0 110.593 -178.393 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 99' ' ' VAL . . . . . 0.412 ' CG1' HD13 ' B' ' 96' ' ' ILE . 11.6 m -99.45 151.9 4.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.647 178.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 100' ' ' SER . . . . . . . . . . . . . 22.3 t -120.17 161.28 21.32 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.155 -176.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 11.9 p -81.63 -0.06 40.78 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.066 0.46 . . . . 0.0 110.943 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 48.6 t -91.09 111.02 23.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.25 -175.749 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . 121.16 -12.21 9.78 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.914 173.634 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 104' ' ' VAL . . . . . 0.415 ' O ' HD12 ' B' ' 108' ' ' LEU . 18.2 t -58.95 -33.93 51.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 N-CA-C 110.18 -0.304 . . . . 0.0 110.18 179.283 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -53.12 -43.23 66.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.267 178.086 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 25.8 m -80.02 -35.61 37.06 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.169 -178.449 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 31.3 m -59.92 -34.82 73.72 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 121.333 0.587 . . . . 0.0 110.337 177.446 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 108' ' ' LEU . . . . . 0.567 ' O ' ' HG3' ' B' ' 112' ' ' GLN . 3.1 mt -62.04 -27.51 68.94 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.523 -0.762 . . . . 0.0 111.354 177.459 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 109' ' ' ASN . . . . . 0.435 HD21 ' N ' ' B' ' 109' ' ' ASN . 0.9 OUTLIER -68.55 -25.71 65.05 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.075 0.464 . . . . 0.0 110.135 178.501 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 110' ' ' VAL . . . . . . . . . . . . . 34.4 t -84.86 -39.37 14.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.952 -177.097 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 111' ' ' VAL . . . . . 0.487 HG11 ' O ' ' B' ' 108' ' ' LEU . 7.8 p -62.78 -28.73 45.49 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.299 0 CA-C-O 121.31 0.576 . . . . 0.0 110.439 -178.836 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 112' ' ' GLN . . . . . 0.567 ' HG3' ' O ' ' B' ' 108' ' ' LEU . 26.3 mt-30 -68.76 -30.45 69.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.852 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 113' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -72.64 -39.0 67.53 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.365 -0.834 . . . . 0.0 110.447 -175.159 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 5.9 m -74.08 -41.92 60.94 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.303 -0.862 . . . . 0.0 112.324 -169.751 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 115' ' ' VAL . . . . . . . . . . . . . 12.6 p -113.1 -17.88 8.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-O 120.807 0.337 . . . . 0.0 111.823 -173.461 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 116' ' ' GLY . . . . . . . . . . . . . . . -56.29 -31.4 59.44 Favored Glycine 0 C--O 1.226 -0.381 0 C-N-CA 121.167 -0.539 . . . . 0.0 113.034 -178.479 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.07 -0.65 40.82 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 111.78 0.289 . . . . 0.0 111.78 -176.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 118' ' ' TYR . . . . . 0.414 ' HB3' HD21 ' B' ' 76' ' ' LEU . 64.7 m-85 -112.11 -23.16 10.61 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.1 0.476 . . . . 0.0 110.5 178.582 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 119' ' ' VAL . . . . . . . . . . . . . 34.4 m -95.52 -5.05 10.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.347 175.457 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.989 0 CA-C-O 118.564 -1.131 . . . . 0.0 112.243 179.186 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 34.2 m . . . . . 0 N--CA 1.451 -0.401 0 CA-C-O 120.803 0.335 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.591 ' CE1' ' HA ' ' A' ' 74' ' ' GLU . 0.0 OUTLIER -152.14 121.94 7.0 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 179.443 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -81.09 -21.2 40.15 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.651 -176.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.13 -32.52 82.72 Favored Glycine 0 CA--C 1.511 -0.194 0 C-N-CA 120.996 -0.621 . . . . 0.0 112.205 179.716 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.453 ' HB2' ' HB2' ' A' ' 78' ' ' GLN . . . -69.87 -11.98 61.28 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.101 0.477 . . . . 0.0 110.477 178.46 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.431 HG11 ' HG2' ' B' ' 112' ' ' GLN . 3.4 t -96.76 -42.4 11.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.537 -178.418 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 47.2 m-80 -64.96 -33.99 77.34 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 121.039 0.447 . . . . 0.0 110.723 -178.226 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 16.8 ttp180 -59.47 -18.06 36.64 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 115.664 -0.698 . . . . 0.0 112.26 179.587 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.444 HD11 ' HB3' ' A' ' 81' ' ' LEU . 64.1 mt -68.24 -27.41 66.33 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.566 -177.266 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 32.4 t -77.95 -2.9 39.18 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.994 -177.385 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 66.4 m -85.19 155.08 21.58 Favored 'General case' 0 N--CA 1.44 -0.933 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 174.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.79 -16.18 57.01 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.737 -175.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -57.43 -55.33 36.15 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.756 179.462 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.523 ' O ' HG21 ' A' ' 39' ' ' VAL . . . -60.79 -47.79 84.75 Favored 'General case' 0 CA--C 1.515 -0.39 0 CA-C-O 120.9 0.381 . . . . 0.0 110.059 176.841 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -56.63 -17.21 7.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.863 -178.425 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 45.1 m -94.73 -16.52 22.99 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 112.26 0.467 . . . . 0.0 112.26 179.395 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 62.2 mtp85 -103.01 -42.89 5.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.757 0.789 . . . . 0.0 109.443 178.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.523 HG21 ' O ' ' A' ' 35' ' ' ALA . 40.7 t -61.66 -40.77 87.86 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-N 114.772 -1.104 . . . . 0.0 111.04 -179.648 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 84.0 p -75.32 -8.27 56.21 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.956 0.408 . . . . 0.0 111.419 -178.132 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 33.6 t -88.76 -16.95 30.89 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.271 0.558 . . . . 0.0 109.836 179.228 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 46.6 m-80 -116.28 -1.68 12.3 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.444 -173.718 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.449 HG13 ' N ' ' A' ' 44' ' ' ALA . 4.0 pt -58.76 -41.73 83.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.055 177.455 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.449 ' N ' HG13 ' A' ' 43' ' ' ILE . . . -77.46 -16.05 58.98 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.939 0.399 . . . . 0.0 110.726 -176.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -78.14 -51.07 10.82 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.244 -179.531 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.454 HG22 ' HB3' ' A' ' 87' ' ' LEU . 45.3 mt -68.26 -31.01 49.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.302 179.728 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.413 ' HB2' HD11 ' B' ' 96' ' ' ILE . . . -62.91 -28.17 69.87 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.008 178.544 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 36.3 t -95.58 -51.06 4.69 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.133 -178.335 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -80.09 -24.56 59.36 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.532 -0.842 . . . . 0.0 113.181 -175.265 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 72.15 -78.99 0.65 Allowed Glycine 0 N--CA 1.449 -0.466 0 N-CA-C 111.765 -0.534 . . . . 0.0 111.765 -179.06 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -116.22 -22.48 8.86 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 115.151 -0.524 . . . . 0.0 110.543 179.772 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 31.0 t -74.45 -14.42 60.84 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.253 0.549 . . . . 0.0 110.525 -178.18 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -89.24 -17.8 28.31 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.77 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.438 ' N ' ' HD2' ' A' ' 55' ' ' PRO . 40.4 mt -54.4 -57.25 19.44 Favored Pre-proline 0 C--N 1.326 -0.438 0 CA-C-N 116.104 -0.498 . . . . 0.0 112.04 -175.779 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.438 ' HD2' ' N ' ' A' ' 54' ' ' LEU . 18.4 Cg_endo -60.88 -22.34 73.71 Favored 'Trans proline' 0 C--N 1.351 0.679 0 C-N-CA 122.221 1.947 . . . . 0.0 112.481 -176.807 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 15.2 m -88.02 -42.25 12.55 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.986 0.422 . . . . 0.0 110.502 -179.695 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 74.7 t -76.38 -41.41 35.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.322 -174.187 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.515 HG12 ' HG ' ' A' ' 83' ' ' LEU . 55.6 mt -57.63 -40.71 76.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.294 176.753 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 4.4 t -70.35 -39.4 74.69 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.14 -178.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 88.3 m-20 -58.64 -44.49 90.06 Favored 'General case' 0 CA--C 1.517 -0.309 0 CA-C-O 121.337 0.589 . . . . 0.0 110.828 178.464 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.426 HG23 ' HB2' ' A' ' 82' ' ' GLU . 62.4 mt -76.08 -47.53 31.33 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.108 -179.256 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.443 ' O ' HG23 ' A' ' 66' ' ' VAL . 53.3 t80 -52.75 -55.34 23.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.973 -178.669 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 8.1 t -63.47 -29.73 70.96 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.515 -177.202 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -69.82 -34.84 72.24 Favored Glycine 0 N--CA 1.448 -0.511 0 C-N-CA 120.923 -0.656 . . . . 0.0 112.176 -178.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 39.9 t -81.95 -40.45 17.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 120.771 0.32 . . . . 0.0 110.73 179.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.443 HG23 ' O ' ' A' ' 62' ' ' TYR . 98.4 t -59.18 -36.6 63.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.86 179.549 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.69 -16.61 50.45 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.849 179.418 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 20.1 t -78.84 -22.2 46.48 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.839 0.352 . . . . 0.0 110.612 179.772 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 106.14 30.93 4.27 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.559 -0.829 . . . . 0.0 112.918 178.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 13.9 p -95.35 158.15 3.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 177.586 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 48.0 t -65.08 144.94 56.92 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.979 -0.378 . . . . 0.0 109.979 175.569 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 4.2 p -59.4 -41.74 90.13 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 112.173 0.434 . . . . 0.0 112.173 -176.216 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -69.57 -35.6 75.52 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.84 0.352 . . . . 0.0 110.352 -177.357 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.591 ' HA ' ' CE1' ' A' ' 23' ' ' TYR . 31.4 tt0 -77.89 -32.57 51.92 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.18 0.514 . . . . 0.0 109.963 178.859 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.65 -39.15 90.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.544 174.629 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.418 ' O ' HD21 ' A' ' 80' ' ' LEU . 2.7 tm? -51.21 -52.67 42.25 Favored 'General case' 0 CA--C 1.517 -0.297 0 O-C-N 123.747 0.654 . . . . 0.0 109.927 178.129 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.733 ' O ' ' HG ' ' A' ' 81' ' ' LEU . 37.8 mm -58.9 -57.41 11.37 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.194 -177.786 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . 0.453 ' HB2' ' HB2' ' A' ' 26' ' ' ALA . 10.3 tt0 -56.61 -46.14 81.08 Favored 'General case' 0 N--CA 1.465 0.286 0 C-N-CA 121.179 -0.208 . . . . 0.0 111.373 179.82 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -59.09 -39.43 82.18 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.834 0.35 . . . . 0.0 110.814 179.732 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.418 HD21 ' O ' ' A' ' 76' ' ' LEU . 3.4 mm? -69.59 -37.12 76.79 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.049 177.005 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.733 ' HG ' ' O ' ' A' ' 77' ' ' ILE . 63.4 mt -68.45 -37.93 80.65 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 120.74 0.305 . . . . 0.0 110.84 -179.457 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.426 ' HB2' HG23 ' A' ' 61' ' ' ILE . 46.7 mt-10 -71.51 -21.0 61.98 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.355 0.598 . . . . 0.0 110.595 175.147 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.515 ' HG ' HG12 ' A' ' 58' ' ' ILE . 3.4 tm? -79.5 -45.87 18.49 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.629 176.581 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -74.8 0.76 14.35 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.791 -0.64 . . . . 0.0 112.116 -176.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.9 p -101.78 -30.6 11.2 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.984 0.421 . . . . 0.0 110.741 177.757 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -66.33 -47.91 71.97 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.291 0.567 . . . . 0.0 110.828 179.762 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.454 ' HB3' HG22 ' A' ' 46' ' ' ILE . 1.1 pp -77.21 -17.16 58.71 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 113.165 0.802 . . . . 0.0 113.165 -171.835 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.426 ' N ' HD12 ' A' ' 87' ' ' LEU . 16.2 m -91.4 -19.91 6.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 C-N-CA 120.242 -0.583 . . . . 0.0 110.541 177.099 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 59.5 t60 -73.3 -37.2 66.3 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 176.824 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.41 ' HB ' HD13 ' B' ' 96' ' ' ILE . 26.8 m -66.28 -25.94 36.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.71 -175.451 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.481 ' HA ' ' HB3' ' A' ' 94' ' ' ALA . 2.9 mm? -66.65 -20.43 65.99 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.651 0.263 . . . . 0.0 111.061 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 32.3 t -66.63 -17.96 65.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.763 0.316 . . . . 0.0 110.844 -179.652 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.9 t -131.09 17.08 5.06 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.621 0.724 . . . . 0.0 109.674 177.156 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . 0.481 ' HB3' ' HA ' ' A' ' 91' ' ' LEU . . . -107.45 96.53 6.47 Favored 'General case' 0 N--CA 1.446 -0.647 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.277 178.222 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 31.4 t -72.18 87.21 1.09 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.804 179.592 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.425 ' HA ' ' HA ' ' B' ' 94' ' ' ALA . 20.8 tt -71.04 148.76 10.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.796 -178.193 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -101.08 -114.49 3.77 Favored Glycine 0 C--N 1.334 0.417 0 CA-C-N 116.088 -0.505 . . . . 0.0 112.425 179.496 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 10.1 t30 -114.54 111.83 21.99 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.78 0.324 . . . . 0.0 110.516 -179.144 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.405 HG11 HD13 ' A' ' 96' ' ' ILE . 7.3 m -95.74 137.72 23.11 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-O 121.216 0.532 . . . . 0.0 111.21 -179.701 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 21.8 p -87.7 138.78 31.17 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.494 -0.775 . . . . 0.0 110.89 -177.701 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 5.5 p -86.62 32.11 0.66 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.185 0.517 . . . . 0.0 110.542 178.666 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 10.3 p -139.93 142.48 32.0 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.556 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 -178.562 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 99.58 -10.06 60.84 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.887 -0.673 . . . . 0.0 111.687 -177.436 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.444 ' O ' HD13 ' A' ' 108' ' ' LEU . 25.8 t -59.78 -32.18 48.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.553 0.216 . . . . 0.0 110.71 177.525 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -52.03 -44.81 64.35 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 121.744 0.783 . . . . 0.0 110.1 177.47 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 9.5 m -71.04 -36.65 72.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.159 -0.928 . . . . 0.0 111.066 -179.223 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 26.0 m -63.83 -37.18 86.43 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.934 0.397 . . . . 0.0 110.95 179.787 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.677 ' O ' HG12 ' A' ' 111' ' ' VAL . 1.6 mt -61.12 -34.1 74.44 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.471 179.847 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 11.0 m-80 -61.21 -27.64 68.57 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.979 0.419 . . . . 0.0 111.221 176.02 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 30.1 t -81.78 -37.19 14.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.746 -178.166 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.677 HG12 ' O ' ' A' ' 108' ' ' LEU . 6.3 p -65.62 -30.14 49.21 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.234 0 CA-C-O 121.377 0.608 . . . . 0.0 109.897 -179.761 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . 0.651 ' HG3' ' O ' ' A' ' 108' ' ' LEU . 21.7 mt-30 -67.33 -25.44 66.01 Favored 'General case' 0 CA--C 1.521 -0.149 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.034 178.656 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -79.37 -33.16 43.09 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.243 -0.89 . . . . 0.0 110.418 -178.178 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 5.2 m -78.76 -39.29 36.51 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.341 -0.845 . . . . 0.0 112.21 -171.086 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 14.8 p -123.64 -14.21 5.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 120.961 0.41 . . . . 0.0 111.585 -173.305 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -59.41 -28.44 64.74 Favored Glycine 0 C--O 1.229 -0.203 0 C-N-CA 121.123 -0.56 . . . . 0.0 112.833 -177.811 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.44 1.65 50.59 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.794 0.33 . . . . 0.0 111.528 -179.241 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . 0.415 ' HB3' HD22 ' A' ' 76' ' ' LEU . 66.3 m-85 -111.5 -27.28 8.66 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.956 0.407 . . . . 0.0 110.334 178.101 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . 0.475 ' O ' ' HB3' ' B' ' 22' ' ' SER . 35.8 m . . . . . 0 C--N 1.328 -0.335 0 CA-C-O 121.368 0.604 . . . . 0.0 110.257 173.272 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 22' ' ' SER . . . . . 0.475 ' HB3' ' O ' ' A' ' 119' ' ' VAL . 15.4 m . . . . . 0 N--CA 1.446 -0.663 0 N-CA-C 110.112 -0.329 . . . . 0.0 110.112 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -149.22 126.43 11.4 Favored 'General case' 0 N--CA 1.446 -0.646 0 CA-C-O 120.844 0.354 . . . . 0.0 110.595 -176.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . 0.403 ' HA ' HG22 ' B' ' 27' ' ' VAL . . . -86.65 -16.21 37.32 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.084 179.16 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -66.19 -24.3 71.87 Favored Glycine 0 C--N 1.33 0.197 0 C-N-CA 120.974 -0.631 . . . . 0.0 112.414 -178.686 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 26' ' ' ALA . . . . . 0.44 ' HB2' ' HB2' ' B' ' 78' ' ' GLN . . . -76.7 -18.7 58.37 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.167 0.508 . . . . 0.0 110.473 177.185 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 27' ' ' VAL . . . . . 0.441 HG12 ' HG2' ' A' ' 112' ' ' GLN . 1.9 t -93.03 -45.79 13.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.575 -0.738 . . . . 0.0 110.602 -176.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 58.3 m-20 -63.22 -25.15 68.2 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.542 -0.753 . . . . 0.0 111.482 -173.199 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 17.7 ptp180 -84.17 0.25 49.37 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.417 -176.474 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . 0.461 HD11 ' HB3' ' B' ' 81' ' ' LEU . 85.3 mt -75.64 -21.35 57.79 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.096 0.474 . . . . 0.0 110.809 -179.446 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 38.9 t -80.71 12.82 2.91 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.301 0.572 . . . . 0.0 110.358 179.6 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 60.4 m -100.79 151.05 22.15 Favored 'General case' 0 N--CA 1.437 -1.118 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.144 175.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.18 -19.22 62.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.733 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -52.57 -56.92 11.9 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.489 176.231 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 35' ' ' ALA . . . . . 0.691 ' O ' HG22 ' B' ' 39' ' ' VAL . . . -61.03 -53.33 58.58 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.187 176.732 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -49.79 -31.99 12.93 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.886 -176.286 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 55.9 m -72.9 -28.94 62.77 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.108 -0.497 . . . . 0.0 112.025 -179.215 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 49.3 mtp85 -95.01 -40.66 9.54 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.598 0.714 . . . . 0.0 109.356 -176.569 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 39' ' ' VAL . . . . . 0.691 HG22 ' O ' ' B' ' 35' ' ' ALA . 15.7 t -63.68 -42.14 95.02 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.777 0 CA-C-N 114.841 -1.072 . . . . 0.0 110.749 -179.54 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 40' ' ' SER . . . . . 0.509 ' O ' HG12 ' B' ' 43' ' ' ILE . 90.4 p -72.58 -12.86 61.23 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-O 120.944 0.402 . . . . 0.0 111.039 -179.074 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 35.1 t -87.63 -11.37 48.69 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.989 0.423 . . . . 0.0 110.308 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 39.0 m-80 -116.66 -4.9 11.64 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.224 -175.073 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 43' ' ' ILE . . . . . 0.522 HG13 ' N ' ' B' ' 44' ' ' ALA . 6.4 pt -59.01 -41.54 83.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 121.019 0.438 . . . . 0.0 110.934 177.129 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 44' ' ' ALA . . . . . 0.522 ' N ' HG13 ' B' ' 43' ' ' ILE . . . -80.54 -7.27 59.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.108 0.48 . . . . 0.0 110.821 -176.678 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -86.3 -49.53 7.61 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.922 178.301 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 46' ' ' ILE . . . . . 0.437 HG22 ' HB3' ' B' ' 87' ' ' LEU . 39.9 mt -68.86 -34.52 64.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.483 179.291 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . 0.424 ' HB2' HD11 ' A' ' 96' ' ' ILE . . . -66.75 -8.0 25.12 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.721 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 45.4 t -104.63 -47.46 4.06 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.044 -179.1 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -98.27 -15.71 34.64 Favored Glycine 0 C--N 1.331 0.285 0 C-N-CA 120.466 -0.873 . . . . 0.0 113.546 -175.127 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 69.95 -81.37 0.34 Allowed Glycine 0 N--CA 1.45 -0.426 0 N-CA-C 111.761 -0.536 . . . . 0.0 111.761 -179.284 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -109.04 -25.6 10.61 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-O 121.093 0.473 . . . . 0.0 110.477 -179.259 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 25.8 t -73.4 -11.11 60.36 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.374 -178.797 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -89.66 -20.73 23.31 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.684 -179.653 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 54' ' ' LEU . . . . . 0.439 ' N ' ' HD2' ' B' ' 55' ' ' PRO . 45.2 mt -52.06 -56.61 20.25 Favored Pre-proline 0 CA--C 1.534 0.35 0 CA-C-N 115.923 -0.581 . . . . 0.0 112.015 -176.819 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 55' ' ' PRO . . . . . 0.439 ' HD2' ' N ' ' B' ' 54' ' ' LEU . 26.1 Cg_endo -62.67 -18.92 66.46 Favored 'Trans proline' 0 C--N 1.352 0.754 0 C-N-CA 122.042 1.828 . . . . 0.0 112.501 -176.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 40.2 m -92.82 -36.88 12.61 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.116 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 69.8 t -81.5 -41.01 18.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.43 -173.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 58' ' ' ILE . . . . . 0.437 HG12 ' HG ' ' B' ' 83' ' ' LEU . 74.2 mt -58.92 -37.88 69.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.925 -0.579 . . . . 0.0 109.841 176.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 32.9 t -69.36 -40.53 77.41 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.241 179.741 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 -56.54 -42.29 78.25 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 121.318 0.58 . . . . 0.0 110.438 178.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . 0.478 ' O ' HG22 ' B' ' 65' ' ' VAL . 64.2 mt -82.17 -48.03 18.65 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.599 -178.101 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 62' ' ' TYR . . . . . 0.417 ' O ' HG21 ' B' ' 66' ' ' VAL . 47.8 t80 -55.57 -50.84 69.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.589 -0.278 . . . . 0.0 110.977 -175.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 42.2 m -61.09 -28.84 69.37 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.912 179.801 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -73.33 -43.5 38.12 Favored Glycine 0 N--CA 1.447 -0.568 0 C-N-CA 120.947 -0.645 . . . . 0.0 111.664 178.073 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 65' ' ' VAL . . . . . 0.478 HG22 ' O ' ' B' ' 61' ' ' ILE . 50.8 t -65.68 -45.61 91.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-O 120.919 0.39 . . . . 0.0 111.025 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 66' ' ' VAL . . . . . 0.417 HG21 ' O ' ' B' ' 62' ' ' TYR . 86.5 t -60.68 -39.97 83.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.945 -179.552 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -70.68 -5.27 28.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.782 179.444 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 23.9 t -86.73 -8.63 57.22 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.942 0.401 . . . . 0.0 110.616 179.347 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 84.18 37.4 11.23 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.675 -0.774 . . . . 0.0 111.847 -178.404 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . 0.461 HG13 HG11 ' B' ' 65' ' ' VAL . 14.4 p -87.08 160.63 2.96 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.797 0 N-CA-C 109.959 -0.386 . . . . 0.0 109.959 178.928 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 21.3 t -61.4 135.63 57.76 Favored 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 109.049 -0.723 . . . . 0.0 109.049 172.788 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 3.1 p -49.41 -49.12 46.23 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 113.22 0.822 . . . . 0.0 113.22 -172.41 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -80.92 -26.79 36.47 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 120.82 -0.352 . . . . 0.0 110.878 -176.339 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -69.37 -28.61 66.35 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 121.022 0.439 . . . . 0.0 110.204 177.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -56.59 -40.56 75.46 Favored 'General case' 0 CA--C 1.519 -0.223 0 CA-C-N 115.749 -0.66 . . . . 0.0 111.235 178.291 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 76' ' ' LEU . . . . . 0.4 HD22 ' HB3' ' B' ' 118' ' ' TYR . 2.8 tm? -56.52 -48.29 77.55 Favored 'General case' 0 CA--C 1.518 -0.282 0 CA-C-N 115.912 -0.585 . . . . 0.0 109.868 178.829 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 77' ' ' ILE . . . . . 0.727 ' O ' ' HG ' ' B' ' 81' ' ' LEU . 39.2 mm -61.81 -55.59 23.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.097 -176.43 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 78' ' ' GLN . . . . . 0.44 ' HB2' ' HB2' ' B' ' 26' ' ' ALA . 24.1 tt0 -58.25 -45.73 87.25 Favored 'General case' 0 N--CA 1.464 0.262 0 C-N-CA 120.989 -0.284 . . . . 0.0 111.057 179.285 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -57.85 -40.8 80.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.6 -179.651 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 80' ' ' LEU . . . . . 0.432 ' O ' ' HB3' ' B' ' 83' ' ' LEU . 2.8 mm? -67.93 -49.78 59.89 Favored 'General case' 0 N--CA 1.444 -0.748 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.095 175.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . 0.727 ' HG ' ' O ' ' B' ' 77' ' ' ILE . 73.0 mt -55.84 -42.57 75.98 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.521 0.201 . . . . 0.0 111.311 -176.391 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -64.94 -40.13 94.56 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.994 0.426 . . . . 0.0 110.548 175.291 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 83' ' ' LEU . . . . . 0.437 ' HG ' HG12 ' B' ' 58' ' ' ILE . 3.3 tm? -58.72 -48.37 81.37 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.059 175.297 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 7.8 mp -61.12 -16.12 40.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.834 -179.647 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 40.4 m -93.69 -33.71 13.54 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.983 0.421 . . . . 0.0 111.092 -174.454 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 86' ' ' ALA . . . . . 0.451 ' O ' HG11 ' B' ' 90' ' ' VAL . . . -67.16 -43.22 82.81 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.932 -177.667 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 87' ' ' LEU . . . . . 0.437 ' HB3' HG22 ' B' ' 46' ' ' ILE . 1.1 pp -82.11 -14.12 56.23 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 113.096 0.776 . . . . 0.0 113.096 -171.433 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 88' ' ' VAL . . . . . . . . . . . . . 16.7 m -94.42 -22.46 5.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 C-N-CA 120.278 -0.569 . . . . 0.0 110.725 176.361 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 89' ' ' HIS . . . . . . . . . . . . . 52.5 t60 -70.96 -34.08 71.08 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 176.657 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 90' ' ' VAL . . . . . 0.451 HG11 ' O ' ' B' ' 86' ' ' ALA . 27.0 m -66.47 -26.56 37.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.545 -175.726 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 91' ' ' LEU . . . . . 0.464 ' HA ' ' HB3' ' B' ' 94' ' ' ALA . 3.4 mm? -65.43 -20.03 66.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.642 -0.254 . . . . 0.0 111.059 -179.547 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 35.2 t -58.27 -33.1 69.03 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.91 0.386 . . . . 0.0 110.562 177.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 12.7 t -119.72 15.85 12.72 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.49 0.662 . . . . 0.0 109.753 -179.38 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 94' ' ' ALA . . . . . 0.464 ' HB3' ' HA ' ' B' ' 91' ' ' LEU . . . -104.47 96.96 6.96 Favored 'General case' 0 N--CA 1.446 -0.65 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.68 178.292 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 45.8 t -73.28 91.43 1.7 Allowed 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 176.692 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 96' ' ' ILE . . . . . 0.422 HD13 ' CG1' ' B' ' 99' ' ' VAL . 19.0 tt -74.28 142.87 14.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.921 -179.216 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 97' ' ' GLY . . . . . . . . . . . . . . . -90.5 -112.06 1.55 Allowed Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.878 -0.677 . . . . 0.0 112.249 179.492 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 98' ' ' ASN . . . . . . . . . . . . . 10.1 t30 -122.43 108.3 13.04 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.882 0.372 . . . . 0.0 110.44 -179.399 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 99' ' ' VAL . . . . . 0.422 ' CG1' HD13 ' B' ' 96' ' ' ILE . 5.4 m -89.34 134.75 27.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-O 121.142 0.496 . . . . 0.0 111.353 -178.258 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 100' ' ' SER . . . . . . . . . . . . . 18.7 p -85.38 142.07 29.55 Favored 'General case' 0 N--CA 1.446 -0.654 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.464 179.594 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 2.9 p -84.43 10.39 10.89 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.457 0.646 . . . . 0.0 110.243 176.5 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 60.8 t -114.64 126.81 72.28 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.68 0 CA-C-N 115.345 -0.843 . . . . 0.0 109.827 -177.337 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . 113.91 -9.45 23.29 Favored Glycine 0 N--CA 1.448 -0.516 0 CA-C-N 115.846 -0.615 . . . . 0.0 112.332 178.81 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 104' ' ' VAL . . . . . 0.438 ' O ' HD13 ' B' ' 108' ' ' LEU . 15.9 t -61.69 -31.42 50.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.651 0.262 . . . . 0.0 110.342 179.125 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -51.69 -37.91 52.78 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 115.518 -0.765 . . . . 0.0 110.356 177.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 106' ' ' SER . . . . . 0.451 ' O ' ' HB2' ' B' ' 109' ' ' ASN . 17.4 m -83.45 -35.55 24.88 Favored 'General case' 0 N--CA 1.454 -0.225 0 CA-C-N 115.802 -0.636 . . . . 0.0 111.51 -178.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 37.8 m -62.46 -32.61 73.52 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.102 0.477 . . . . 0.0 110.387 178.48 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 108' ' ' LEU . . . . . 0.561 ' O ' ' HG3' ' B' ' 112' ' ' GLN . 3.0 mt -61.48 -23.31 65.81 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.444 -0.798 . . . . 0.0 111.195 176.746 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 109' ' ' ASN . . . . . 0.451 ' HB2' ' O ' ' B' ' 106' ' ' SER . 0.9 OUTLIER -65.83 -33.9 76.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.152 0.501 . . . . 0.0 110.243 176.066 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 110' ' ' VAL . . . . . . . . . . . . . 29.4 t -80.33 -34.12 14.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.968 -175.483 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 111' ' ' VAL . . . . . 0.545 HG13 ' O ' ' B' ' 108' ' ' LEU . 9.6 p -67.26 -26.3 35.84 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.349 0 CA-C-O 121.247 0.546 . . . . 0.0 110.145 -179.181 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 112' ' ' GLN . . . . . 0.561 ' HG3' ' O ' ' B' ' 108' ' ' LEU . 24.8 mt-30 -74.81 -22.31 58.79 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.813 179.412 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 113' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -79.68 -39.44 31.3 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.204 -0.907 . . . . 0.0 110.705 -175.442 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 4.6 p -80.68 -43.21 20.72 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.12 -0.946 . . . . 0.0 112.517 -170.398 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 115' ' ' VAL . . . . . 0.501 HG12 ' O ' ' B' ' 111' ' ' VAL . 10.4 p -105.92 -17.86 7.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-O 121.018 0.437 . . . . 0.0 111.117 -174.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 116' ' ' GLY . . . . . . . . . . . . . . . -62.29 -21.92 62.6 Favored Glycine 0 C--O 1.228 -0.27 0 C-N-CA 121.091 -0.576 . . . . 0.0 112.621 -179.178 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.51 -3.52 59.03 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 111.687 0.254 . . . . 0.0 111.687 -179.231 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 118' ' ' TYR . . . . . 0.4 ' HB3' HD22 ' B' ' 76' ' ' LEU . 77.3 m-85 -111.98 -28.13 8.14 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.926 0.394 . . . . 0.0 110.874 178.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 119' ' ' VAL . . . . . . . . . . . . . 34.2 m -89.45 -5.23 10.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.83 176.592 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.878 -0.957 . . . . 0.0 111.545 179.403 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.449 ' HB3' ' O ' ' B' ' 119' ' ' VAL . 37.8 m . . . . . 0 N--CA 1.451 -0.391 0 CA-C-O 120.404 0.145 . . . . 0.0 111.171 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.44 ' OH ' ' HB3' ' A' ' 73' ' ' ASN . 0.0 OUTLIER -157.64 131.79 8.22 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.739 177.412 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -89.77 -11.27 42.68 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 121.169 0.509 . . . . 0.0 110.058 174.624 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -67.2 -31.1 76.56 Favored Glycine 0 CA--C 1.507 -0.453 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.841 -176.784 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -69.71 -15.85 63.23 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.26 0.552 . . . . 0.0 110.165 176.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.575 ' CG1' ' HA ' ' B' ' 112' ' ' GLN . 3.9 t -92.18 -43.23 13.84 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.733 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.385 -176.097 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 45.4 m-80 -62.08 -33.89 75.26 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 121.082 0.468 . . . . 0.0 110.362 -179.294 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 35.7 ttp180 -66.99 -12.91 61.21 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-N 115.258 -0.883 . . . . 0.0 112.192 -178.316 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.517 ' HB3' HD11 ' B' ' 108' ' ' LEU . 90.8 mt -69.45 -24.85 63.86 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.007 0.373 . . . . 0.0 112.007 -177.603 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 24.1 p -69.82 -13.35 62.22 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.436 -174.116 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 42.1 t -71.75 150.31 44.57 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.187 -0.46 . . . . 0.0 109.951 178.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.68 -12.0 41.76 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.92 0.39 . . . . 0.0 111.238 -178.664 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -61.1 -56.08 25.08 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.357 178.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.535 ' O ' HG23 ' A' ' 39' ' ' VAL . . . -57.98 -46.95 84.37 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.654 175.052 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -56.42 -19.11 13.46 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.034 -0.53 . . . . 0.0 112.059 -178.697 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 40.0 m -95.44 -23.84 16.95 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.521 -0.309 . . . . 0.0 111.783 179.46 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.543 ' NH1' ' HA ' ' A' ' 61' ' ' ILE . 8.4 mtp180 -91.52 -43.14 9.86 Favored 'General case' 0 CA--C 1.516 -0.335 0 CA-C-O 121.591 0.71 . . . . 0.0 109.483 -179.133 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.535 HG23 ' O ' ' A' ' 35' ' ' ALA . 61.4 t -60.4 -40.41 84.01 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.86 0 CA-C-N 114.434 -1.257 . . . . 0.0 110.42 177.88 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.401 ' HB2' ' HB3' ' B' ' 101' ' ' SER . 78.7 p -76.46 -8.12 56.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.1 -179.21 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 48.1 t -91.78 -8.05 47.84 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.208 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 46.2 m-80 -122.2 -4.66 8.94 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.269 -177.277 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.492 HG13 ' N ' ' A' ' 44' ' ' ALA . 5.0 pt -58.2 -42.56 83.71 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.133 0 CA-C-O 120.839 0.352 . . . . 0.0 111.229 179.349 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.492 ' N ' HG13 ' A' ' 43' ' ' ILE . . . -75.41 -15.7 60.42 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.097 0.475 . . . . 0.0 111.181 -175.652 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -80.47 -52.56 7.5 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.285 -178.8 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 33.4 mt -65.95 -34.24 68.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.441 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.431 ' HB2' HD13 ' B' ' 96' ' ' ILE . . . -61.01 -26.21 67.44 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.201 179.243 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 38.6 m -95.87 -42.2 8.44 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.42 -176.582 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -91.05 -21.09 36.84 Favored Glycine 0 CA--C 1.518 0.276 0 C-N-CA 120.62 -0.8 . . . . 0.0 113.422 -175.359 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 73.68 -77.01 0.95 Allowed Glycine 0 N--CA 1.451 -0.356 0 N-CA-C 111.667 -0.573 . . . . 0.0 111.667 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -120.99 -22.84 6.02 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-O 121.019 0.437 . . . . 0.0 110.536 179.449 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 9.0 t -72.73 -13.81 61.42 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.274 0.559 . . . . 0.0 110.122 -177.64 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -88.31 -17.18 31.21 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.83 -179.263 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.44 ' N ' ' HD2' ' A' ' 55' ' ' PRO . 43.7 mt -54.92 -57.55 18.89 Favored Pre-proline 0 C--N 1.327 -0.397 0 CA-C-N 116.027 -0.533 . . . . 0.0 112.097 -175.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.44 ' HD2' ' N ' ' A' ' 54' ' ' LEU . 17.0 Cg_endo -59.04 -24.29 72.8 Favored 'Trans proline' 0 C--N 1.35 0.628 0 C-N-CA 122.21 1.94 . . . . 0.0 112.519 -177.193 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 24.9 m -88.78 -39.8 13.66 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.984 0.421 . . . . 0.0 110.915 -179.456 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 59.2 t -76.44 -37.8 31.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 121.098 0.475 . . . . 0.0 110.144 -175.526 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.423 HG12 HD22 ' A' ' 83' ' ' LEU . 64.9 mt -57.6 -43.39 83.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.925 174.829 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 22.6 t -68.02 -38.17 82.26 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.2 -0.454 . . . . 0.0 109.969 -178.582 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -59.81 -49.17 78.76 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.813 179.191 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.543 ' HA ' ' NH1' ' A' ' 38' ' ' ARG . 50.6 mt -74.78 -47.26 38.69 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.175 -178.17 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.439 ' O ' HG21 ' A' ' 66' ' ' VAL . 43.4 t80 -53.5 -53.6 49.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.982 -178.703 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 42.7 t -59.87 -32.13 70.42 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.971 0.415 . . . . 0.0 110.75 -179.695 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . 0.522 ' HA3' ' NH1' ' A' ' 38' ' ' ARG . . . -66.52 -40.22 94.2 Favored Glycine 0 C--N 1.329 0.191 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.004 -179.398 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.402 HG23 ' O ' ' A' ' 61' ' ' ILE . 18.6 t -78.4 -42.4 26.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-O 120.819 0.343 . . . . 0.0 111.044 -178.841 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.439 HG21 ' O ' ' A' ' 62' ' ' TYR . 94.5 t -60.1 -37.1 71.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.046 -179.161 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -70.88 -5.72 32.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.51 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 11.9 t -90.0 -11.96 40.04 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.6 -0.273 . . . . 0.0 110.537 179.237 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 96.61 30.28 7.74 Favored Glycine 0 C--N 1.331 0.265 0 C-N-CA 120.624 -0.798 . . . . 0.0 112.847 178.141 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 11.6 p -91.13 159.25 2.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 N-CA-C 110.221 -0.289 . . . . 0.0 110.221 178.182 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 27.1 t -66.77 147.16 53.62 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 110.105 -0.332 . . . . 0.0 110.105 175.302 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 6.4 p -58.62 -44.69 90.07 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 112.43 0.53 . . . . 0.0 112.43 -173.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . 0.44 ' HB3' ' OH ' ' A' ' 23' ' ' TYR . 0.2 OUTLIER -73.14 -35.92 66.58 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.881 -0.328 . . . . 0.0 110.428 -176.231 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -70.52 -34.1 71.92 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 176.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -58.94 -40.2 83.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.635 175.589 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.413 ' O ' HD21 ' A' ' 80' ' ' LEU . 2.7 tm? -56.75 -54.23 48.6 Favored 'General case' 0 CA--C 1.517 -0.298 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 176.202 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.752 ' O ' ' HG ' ' A' ' 81' ' ' LEU . 39.5 mm -58.49 -56.97 13.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 115.461 -0.79 . . . . 0.0 110.714 -178.738 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 24.6 tp60 -51.94 -48.9 64.06 Favored 'General case' 0 N--CA 1.467 0.391 0 O-C-N 123.249 0.343 . . . . 0.0 111.366 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.92 -40.13 96.67 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.061 -178.755 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.49 ' O ' HD23 ' A' ' 84' ' ' LEU . 3.6 mm? -67.93 -37.59 81.83 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.971 178.531 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.752 ' HG ' ' O ' ' A' ' 77' ' ' ILE . 59.5 mt -63.52 -46.19 87.16 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.845 0.355 . . . . 0.0 110.357 178.779 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -61.15 -42.71 99.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.569 176.315 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.527 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 57.5 tp -59.2 -46.41 88.51 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.95 177.535 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.497 HD22 HD22 ' B' ' 84' ' ' LEU . 3.7 mm? -69.4 -1.42 8.33 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.719 -178.023 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 20.3 m -102.78 -27.93 12.39 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.019 0.438 . . . . 0.0 110.403 176.757 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -75.48 -46.42 32.54 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.16 0.505 . . . . 0.0 110.672 -176.691 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.527 ' HG ' ' O ' ' A' ' 83' ' ' LEU . 1.0 OUTLIER -78.7 -13.97 59.54 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.585 -0.734 . . . . 0.0 112.849 -172.319 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.405 HG12 HD13 ' A' ' 87' ' ' LEU . 17.4 m -94.78 -27.47 4.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 C-N-CA 120.547 -0.461 . . . . 0.0 110.795 177.049 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 70.0 t60 -65.83 -34.46 78.2 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 178.737 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 33.1 m -65.16 -26.82 40.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.111 -175.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.421 ' HA ' ' HB3' ' A' ' 94' ' ' ALA . 3.9 mm? -67.05 -21.25 65.91 Favored 'General case' 0 N--CA 1.462 0.147 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.273 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 34.9 t -71.03 -17.8 62.6 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.826 0.346 . . . . 0.0 111.049 -179.792 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' SER . . . . . 0.494 ' HB2' HG12 ' B' ' 99' ' ' VAL . 73.5 m -119.33 -9.88 9.82 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.624 0.725 . . . . 0.0 110.454 178.496 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . 0.421 ' HB3' ' HA ' ' A' ' 91' ' ' LEU . . . -88.46 104.12 16.51 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.114 -0.948 . . . . 0.0 111.27 -179.666 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 12.2 t -75.16 87.99 2.45 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.457 -0.571 . . . . 0.0 109.457 176.188 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.456 HD12 ' HB3' ' B' ' 47' ' ' ALA . 20.8 tt -70.41 145.18 13.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.339 -177.864 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -94.12 -99.06 1.6 Allowed Glycine 0 N--CA 1.446 -0.656 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.204 179.301 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -133.12 111.6 11.07 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.844 0.354 . . . . 0.0 111.077 -177.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 13.1 m -93.18 153.66 3.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.438 177.129 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 48.5 m -129.75 147.96 51.58 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.644 -178.475 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' SER . . . . . 0.48 ' HB3' ' HB2' ' B' ' 40' ' ' SER . 21.3 m -74.63 -6.29 47.84 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.737 -177.06 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 60.7 t -88.11 108.79 18.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.791 -176.409 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 124.44 -11.75 8.0 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.852 -0.689 . . . . 0.0 112.888 176.602 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 46.9 t -59.83 -29.28 42.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.431 0.158 . . . . 0.0 111.185 -178.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -48.8 -46.48 41.76 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-O 121.404 0.621 . . . . 0.0 110.507 178.464 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 15.5 m -70.42 -25.33 63.17 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.452 -0.795 . . . . 0.0 111.523 -177.131 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 20.3 m -72.56 -35.71 68.05 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.874 0.369 . . . . 0.0 110.172 -178.14 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.577 ' O ' HG12 ' A' ' 111' ' ' VAL . 4.4 mm? -58.53 -37.82 76.45 Favored 'General case' 0 C--O 1.224 -0.28 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.371 175.529 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 16.1 m-80 -67.34 -21.46 65.64 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.68 -177.365 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 26.2 t -91.99 -37.56 9.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.187 -178.03 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.577 HG12 ' O ' ' A' ' 108' ' ' LEU . 7.9 p -61.04 -28.93 44.69 Favored 'Isoleucine or valine' 0 C--O 1.233 0.216 0 CA-C-O 121.256 0.551 . . . . 0.0 110.168 -179.827 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . 0.544 ' HG3' ' O ' ' A' ' 108' ' ' LEU . 24.1 mt-30 -64.47 -25.44 68.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.699 179.237 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -81.3 -38.65 26.45 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.419 -0.809 . . . . 0.0 110.263 -178.042 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' SER . . . . . 0.42 ' OG ' ' HD3' ' A' ' 55' ' ' PRO . 6.6 m -73.64 -43.38 59.68 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.172 -0.922 . . . . 0.0 112.107 -172.49 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . 0.432 HG11 ' O ' ' A' ' 111' ' ' VAL . 10.8 p -117.52 -19.09 6.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 N-CA-C 112.114 0.413 . . . . 0.0 112.114 -172.166 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -61.64 -22.3 61.6 Favored Glycine 0 C--O 1.23 -0.152 0 C-N-CA 120.93 -0.653 . . . . 0.0 112.692 -177.523 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.34 4.41 52.46 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.547 0.213 . . . . 0.0 111.219 -179.53 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 90.4 m-85 -113.0 -26.54 8.45 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.896 0.379 . . . . 0.0 110.229 177.74 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 35.2 m . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.67 176.017 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 26.5 m . . . . . 0 N--CA 1.445 -0.697 0 CA-C-O 120.488 0.185 . . . . 0.0 110.679 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 23' ' ' TYR . . . . . 0.435 ' CE1' ' HA ' ' B' ' 74' ' ' GLU . 0.2 OUTLIER -151.93 117.88 5.49 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.025 177.475 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -74.5 -27.11 60.41 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-O 121.226 0.536 . . . . 0.0 110.621 177.316 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.75 -28.88 72.38 Favored Glycine 0 N--CA 1.452 -0.287 0 CA-C-N 115.832 -0.622 . . . . 0.0 112.24 -179.11 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -76.05 -8.31 56.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.438 0.637 . . . . 0.0 110.346 178.163 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 27' ' ' VAL . . . . . 0.47 ' CG1' ' HA ' ' A' ' 112' ' ' GLN . 3.5 t -97.54 -42.86 11.92 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.076 178.887 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 57.9 m-80 -60.93 -35.24 76.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.824 0.345 . . . . 0.0 110.843 -179.169 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 25.2 ttp180 -66.4 -14.67 62.47 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 116.04 -0.527 . . . . 0.0 112.165 -177.652 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . 0.528 ' HB3' HD11 ' A' ' 108' ' ' LEU . 91.5 mt -64.71 -25.5 67.97 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.917 -178.388 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 43.9 p -75.68 4.79 7.13 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.198 -177.442 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 47.0 t -94.65 166.11 12.18 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.365 178.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.32 -21.88 66.76 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.694 178.664 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -49.72 -58.89 4.44 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.784 179.046 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 35' ' ' ALA . . . . . 0.639 ' O ' HG22 ' B' ' 39' ' ' VAL . . . -65.69 -58.79 4.86 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.342 -0.845 . . . . 0.0 110.756 179.684 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -47.97 -36.01 11.82 Favored 'General case' 0 N--CA 1.464 0.268 0 N-CA-C 112.568 0.581 . . . . 0.0 112.568 -173.237 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 50.7 m -70.74 -30.41 66.93 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 112.359 0.504 . . . . 0.0 112.359 -178.465 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -93.02 -40.62 10.43 Favored 'General case' 0 CA--C 1.513 -0.478 0 CA-C-O 121.694 0.759 . . . . 0.0 109.7 -176.222 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 39' ' ' VAL . . . . . 0.639 HG22 ' O ' ' B' ' 35' ' ' ALA . 40.2 t -58.36 -45.38 89.56 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.919 0 CA-C-N 114.569 -1.196 . . . . 0.0 110.705 178.368 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 40' ' ' SER . . . . . 0.48 ' HB2' ' HB3' ' A' ' 101' ' ' SER . 89.0 p -77.72 -5.98 52.43 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.476 -177.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 34.3 t -90.1 -19.48 24.27 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.173 0.511 . . . . 0.0 109.983 179.69 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 38.0 m-80 -113.77 -0.3 14.28 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.093 -174.175 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 43' ' ' ILE . . . . . 0.46 HG21 ' O ' ' B' ' 39' ' ' VAL . 3.7 pt -59.76 -41.93 87.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.02 178.261 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 44' ' ' ALA . . . . . 0.447 ' N ' HG13 ' B' ' 43' ' ' ILE . . . -76.91 -11.63 59.84 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.865 0.364 . . . . 0.0 111.014 -176.249 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -83.26 -52.81 6.25 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.091 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 41.7 mt -64.98 -36.44 77.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.4 -179.495 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . 0.456 ' HB3' HD12 ' A' ' 96' ' ' ILE . . . -62.51 -24.93 67.75 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.49 -179.784 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 37.0 m -100.61 -9.96 21.42 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.67 -175.589 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -120.6 -29.18 1.61 Allowed Glycine 0 N--CA 1.453 -0.199 0 C-N-CA 120.339 -0.934 . . . . 0.0 113.08 -176.461 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 81.71 -78.33 1.96 Allowed Glycine 0 N--CA 1.447 -0.608 0 N-CA-C 111.41 -0.676 . . . . 0.0 111.41 -179.064 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -124.21 -20.09 5.37 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 121.099 0.476 . . . . 0.0 110.879 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 23.0 t -69.68 -18.89 63.59 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.476 -178.79 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . 0.408 ' O ' HG22 ' B' ' 57' ' ' VAL . . . -88.85 -15.7 33.84 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.94 -177.522 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 54' ' ' LEU . . . . . 0.421 ' N ' ' HD2' ' B' ' 55' ' ' PRO . 43.4 mt -54.76 -58.18 15.63 Favored Pre-proline 0 CA--C 1.536 0.414 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.928 -176.004 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 55' ' ' PRO . . . . . 0.425 ' HD3' ' OG ' ' B' ' 114' ' ' SER . 19.6 Cg_endo -60.16 -25.96 81.29 Favored 'Trans proline' 0 C--N 1.354 0.857 0 C-N-CA 122.191 1.928 . . . . 0.0 112.304 -177.679 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 22.4 m -82.2 -42.09 19.45 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.914 -179.348 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . 0.408 HG22 ' O ' ' B' ' 53' ' ' ALA . 79.1 t -77.19 -38.55 27.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.257 -173.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 58' ' ' ILE . . . . . 0.466 HG12 HD22 ' B' ' 83' ' ' LEU . 67.7 mt -58.65 -41.31 81.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.053 175.113 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 15.6 t -66.59 -35.6 80.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.255 -178.205 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -65.72 -49.95 66.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.767 179.281 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . 0.47 ' O ' HG22 ' B' ' 65' ' ' VAL . 62.6 mt -73.48 -47.28 46.09 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.707 -176.281 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 62' ' ' TYR . . . . . 0.53 ' O ' HG22 ' B' ' 66' ' ' VAL . 36.8 t80 -54.62 -54.69 38.21 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.609 -0.269 . . . . 0.0 111.26 -177.565 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 5.2 t -63.66 -29.95 71.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.049 0.452 . . . . 0.0 110.094 -177.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -66.65 -41.81 93.71 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.939 -0.648 . . . . 0.0 111.791 178.182 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 65' ' ' VAL . . . . . 0.47 HG22 ' O ' ' B' ' 61' ' ' ILE . 45.2 t -70.35 -41.42 78.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-O 120.776 0.322 . . . . 0.0 110.751 178.805 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 66' ' ' VAL . . . . . 0.53 HG22 ' O ' ' B' ' 62' ' ' TYR . 89.4 t -60.5 -37.36 74.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.799 -179.806 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -66.92 -12.64 60.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.124 -0.489 . . . . 0.0 112.039 179.346 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 48.4 t -78.92 -17.33 55.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.094 0.473 . . . . 0.0 110.346 178.301 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 92.71 38.25 5.57 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.627 -0.797 . . . . 0.0 111.699 -177.673 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . 0.403 HG11 HG11 ' B' ' 65' ' ' VAL . 13.7 p -91.23 163.39 2.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 N-CA-C 110.036 -0.357 . . . . 0.0 110.036 178.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 38.1 t -61.69 136.74 58.12 Favored 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 109.079 -0.712 . . . . 0.0 109.079 172.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 19.3 m -55.5 -41.85 73.64 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 112.59 0.589 . . . . 0.0 112.59 -173.068 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -85.1 -23.38 28.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.936 0.398 . . . . 0.0 110.385 -176.852 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 74' ' ' GLU . . . . . 0.435 ' HA ' ' CE1' ' B' ' 23' ' ' TYR . 34.3 tt0 -72.5 -30.56 64.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.128 0.49 . . . . 0.0 109.927 176.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.94 -32.52 70.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.471 -0.786 . . . . 0.0 111.264 178.752 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 76' ' ' LEU . . . . . 0.45 HD23 ' HB3' ' B' ' 118' ' ' TYR . 2.8 tm? -57.42 -53.78 54.31 Favored 'General case' 0 CA--C 1.517 -0.298 0 N-CA-C 109.684 -0.487 . . . . 0.0 109.684 177.54 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 77' ' ' ILE . . . . . 0.744 ' O ' ' HG ' ' B' ' 81' ' ' LEU . 37.7 mm -62.15 -54.47 33.96 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.905 -178.215 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 78' ' ' GLN . . . . . . . . . . . . . 33.6 tp60 -52.5 -49.71 64.22 Favored 'General case' 0 C--N 1.33 -0.259 0 O-C-N 123.193 0.308 . . . . 0.0 111.1 179.401 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.65 -40.15 94.94 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.917 -178.517 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 80' ' ' LEU . . . . . 0.676 ' O ' HD23 ' B' ' 84' ' ' LEU . 2.0 mm? -62.4 -45.64 92.23 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.65 177.413 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . 0.744 ' HG ' ' O ' ' B' ' 77' ' ' ILE . 55.4 mt -62.43 -39.31 92.89 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.82 0.343 . . . . 0.0 110.767 -178.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -62.69 -44.62 95.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.936 0.398 . . . . 0.0 110.26 174.753 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 83' ' ' LEU . . . . . 0.474 ' O ' ' HG ' ' B' ' 87' ' ' LEU . 43.9 tp -61.04 -44.69 97.02 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.21 177.298 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 84' ' ' LEU . . . . . 0.676 HD23 ' O ' ' B' ' 80' ' ' LEU . 3.9 mm? -60.27 -13.88 15.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.617 -0.72 . . . . 0.0 111.752 -178.8 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 85' ' ' SER . . . . . 0.423 ' OG ' HD13 ' A' ' 108' ' ' LEU . 20.4 m -98.52 -27.17 14.16 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.786 0.327 . . . . 0.0 111.075 -177.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -73.19 -44.03 60.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.318 0.58 . . . . 0.0 110.625 -176.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 87' ' ' LEU . . . . . 0.474 ' HG ' ' O ' ' B' ' 83' ' ' LEU . 1.0 OUTLIER -80.6 -14.25 58.35 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.409 -0.814 . . . . 0.0 112.689 -172.754 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 88' ' ' VAL . . . . . 0.402 ' N ' HD13 ' B' ' 87' ' ' LEU . 16.0 m -93.46 -26.3 4.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 C-N-CA 120.554 -0.458 . . . . 0.0 110.895 176.86 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 89' ' ' HIS . . . . . . . . . . . . . 46.8 t60 -68.07 -34.69 76.89 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.069 0.461 . . . . 0.0 109.891 179.34 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 90' ' ' VAL . . . . . . . . . . . . . 33.5 m -65.48 -25.96 38.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.44 -176.438 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 91' ' ' LEU . . . . . 0.423 ' HA ' ' HB3' ' B' ' 94' ' ' ALA . 3.8 mm? -65.95 -24.51 66.82 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.622 -0.263 . . . . 0.0 111.232 -179.269 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 11.0 t -62.63 -30.54 71.43 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.086 0.469 . . . . 0.0 110.365 179.804 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 20.4 m -112.63 9.49 19.34 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.294 0.568 . . . . 0.0 110.394 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 94' ' ' ALA . . . . . 0.423 ' HB3' ' HA ' ' B' ' 91' ' ' LEU . . . -107.15 93.58 4.63 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.592 179.822 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 16.8 m -70.01 84.04 0.51 Allowed 'General case' 0 N--CA 1.429 -1.505 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.502 177.322 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 96' ' ' ILE . . . . . 0.431 HD13 ' HB2' ' A' ' 47' ' ' ALA . 20.1 tt -67.91 145.24 13.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.496 -0.775 . . . . 0.0 111.462 -176.749 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 97' ' ' GLY . . . . . . . . . . . . . . . -97.31 -108.64 2.62 Favored Glycine 0 N--CA 1.444 -0.799 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.15 178.184 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 98' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -115.51 115.19 26.08 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.678 0.275 . . . . 0.0 110.421 -176.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 99' ' ' VAL . . . . . 0.494 HG12 ' HB2' ' A' ' 93' ' ' SER . 3.0 m -103.65 115.37 45.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-O 121.139 0.495 . . . . 0.0 110.648 176.313 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 100' ' ' SER . . . . . . . . . . . . . 19.7 m -84.69 149.42 25.81 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.96 178.283 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 101' ' ' SER . . . . . 0.401 ' HB3' ' HB2' ' A' ' 40' ' ' SER . 23.0 m -79.37 21.85 0.46 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.935 0.397 . . . . 0.0 111.336 -178.498 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 48.7 t -117.22 119.93 63.42 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.465 0 CA-C-O 120.973 0.416 . . . . 0.0 110.614 -176.136 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . 119.52 -12.61 11.07 Favored Glycine 0 N--CA 1.446 -0.666 0 CA-C-N 115.79 -0.641 . . . . 0.0 112.074 179.122 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 104' ' ' VAL . . . . . . . . . . . . . 26.4 t -60.44 -30.39 46.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 120.585 0.231 . . . . 0.0 110.716 -179.412 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -50.26 -42.07 51.44 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.704 179.534 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 8.8 m -72.07 -28.01 63.05 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 115.476 -0.784 . . . . 0.0 111.097 -178.561 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 18.1 m -73.33 -33.63 65.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.114 -176.309 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 108' ' ' LEU . . . . . 0.61 ' O ' ' HG3' ' B' ' 112' ' ' GLN . 4.2 mm? -58.84 -31.06 68.17 Favored 'General case' 0 C--O 1.223 -0.312 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.208 175.062 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 109' ' ' ASN . . . . . 0.475 HD21 ' N ' ' B' ' 109' ' ' ASN . 0.8 OUTLIER -72.49 -23.36 61.02 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.602 -178.474 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 110' ' ' VAL . . . . . . . . . . . . . 17.6 t -86.28 -38.73 12.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.868 -177.032 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 111' ' ' VAL . . . . . 0.529 HG13 ' O ' ' B' ' 108' ' ' LEU . 10.1 p -61.78 -33.27 56.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 121.052 0.453 . . . . 0.0 110.096 179.636 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 112' ' ' GLN . . . . . 0.61 ' HG3' ' O ' ' B' ' 108' ' ' LEU . 23.3 mt-30 -64.33 -30.08 71.14 Favored 'General case' 0 CA--C 1.517 -0.303 0 CA-C-O 121.538 0.685 . . . . 0.0 110.239 179.17 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 113' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -79.18 -33.62 43.81 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 114.898 -1.046 . . . . 0.0 110.323 -177.329 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 114' ' ' SER . . . . . 0.425 ' OG ' ' HD3' ' B' ' 55' ' ' PRO . 11.5 m -79.97 -42.42 23.98 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 114.833 -1.076 . . . . 0.0 111.828 -171.641 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 115' ' ' VAL . . . . . 0.465 HG11 ' O ' ' B' ' 111' ' ' VAL . 14.5 p -118.82 -15.17 8.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 N-CA-C 112.109 0.411 . . . . 0.0 112.109 -172.007 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 116' ' ' GLY . . . . . . . . . . . . . . . -64.27 -18.01 62.36 Favored Glycine 0 C--O 1.229 -0.183 0 C-N-CA 120.846 -0.692 . . . . 0.0 113.355 -175.704 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -94.12 -3.81 50.39 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.762 0.315 . . . . 0.0 111.135 178.698 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 118' ' ' TYR . . . . . 0.45 ' HB3' HD23 ' B' ' 76' ' ' LEU . 96.7 m-85 -104.58 -24.32 13.0 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.981 0.42 . . . . 0.0 110.344 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 119' ' ' VAL . . . . . 0.449 ' O ' ' HB3' ' A' ' 22' ' ' SER . 27.7 m -85.32 -6.82 10.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.55 173.862 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.421 -1.211 . . . . 0.0 111.671 178.953 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.8 m . . . . . 0 CA--C 1.519 -0.239 0 CA-C-O 120.873 0.368 . . . . 0.0 111.29 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.505 ' CE1' ' HA ' ' A' ' 74' ' ' GLU . 0.0 OUTLIER -152.77 132.53 13.18 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.03 -177.385 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -96.19 -13.07 23.78 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.661 179.225 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.46 -33.6 87.68 Favored Glycine 0 CA--C 1.508 -0.364 0 C-N-CA 120.703 -0.761 . . . . 0.0 111.52 -179.155 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.476 ' HB3' ' HB2' ' A' ' 78' ' ' GLN . . . -66.29 -13.84 61.08 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.177 -0.511 . . . . 0.0 110.79 175.113 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.505 HG22 ' CD1' ' A' ' 81' ' ' LEU . 2.7 t -100.01 -43.84 11.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.941 -177.165 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 54.2 m-80 -62.23 -38.95 91.17 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 120.724 -0.391 . . . . 0.0 111.047 -176.783 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.406 ' HD3' ' OE1' ' A' ' 78' ' ' GLN . 13.6 ptm180 -69.97 -3.51 16.47 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.645 -176.639 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.527 ' HB3' HD11 ' B' ' 108' ' ' LEU . 88.3 mt -68.85 -27.64 66.0 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.998 0.428 . . . . 0.0 110.604 178.371 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 32.6 p -75.46 -3.44 33.91 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.971 -179.731 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 41.7 t -86.31 168.49 13.83 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.624 178.528 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -68.19 -10.32 53.47 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.802 179.757 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -56.73 -65.0 0.69 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.396 178.284 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.1 -50.71 69.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.714 -0.676 . . . . 0.0 111.363 -179.181 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.07 -8.94 3.75 Favored 'General case' 0 N--CA 1.466 0.332 0 N-CA-C 112.417 0.525 . . . . 0.0 112.417 -176.095 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 32.4 t -92.6 -31.24 15.24 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 120.81 0.338 . . . . 0.0 110.986 175.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 58.7 mtp85 -97.98 -41.86 7.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.286 0.565 . . . . 0.0 110.184 -173.395 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 67.6 t -58.81 -49.86 81.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-N 115.092 -0.958 . . . . 0.0 110.58 177.756 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.7 m -69.68 -6.46 31.77 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.492 -0.776 . . . . 0.0 111.993 -177.05 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 25.1 t -94.69 -17.32 22.34 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.172 0.511 . . . . 0.0 110.141 179.509 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 44.8 m-80 -113.23 0.63 14.94 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.196 -175.371 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 3.1 pt -59.46 -41.62 85.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.098 177.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -77.71 -12.46 59.97 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.922 0.391 . . . . 0.0 110.998 -177.682 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -80.94 -53.86 6.08 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.213 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 48.4 mt -64.98 -35.45 75.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.52 -179.399 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.43 ' HB3' HD12 ' B' ' 96' ' ' ILE . . . -59.53 -28.28 66.95 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.268 179.632 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 34.1 m -89.62 -32.27 17.17 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.67 -0.696 . . . . 0.0 111.64 -175.578 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -98.93 -56.99 0.99 Allowed Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.548 -0.834 . . . . 0.0 112.463 -178.352 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 105.47 -83.4 0.37 Allowed Glycine 0 N--CA 1.442 -0.914 0 N-CA-C 110.58 -1.008 . . . . 0.0 110.58 -175.05 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -110.21 -24.2 10.82 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-O 121.227 0.537 . . . . 0.0 110.035 177.694 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 16.5 p -71.58 -15.2 62.26 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.858 -179.472 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -91.52 -16.4 27.28 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.761 -178.759 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.415 HD12 HG12 ' B' ' 88' ' ' VAL . 57.4 mt -56.94 -58.7 15.92 Favored Pre-proline 0 C--N 1.327 -0.401 0 CA-C-N 116.088 -0.506 . . . . 0.0 112.033 -175.155 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.468 ' HD3' ' OG ' ' A' ' 114' ' ' SER . 19.1 Cg_endo -59.65 -25.1 77.92 Favored 'Trans proline' 0 C--N 1.353 0.8 0 C-N-CA 121.998 1.798 . . . . 0.0 112.126 -176.565 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 12.4 m -83.77 -42.11 16.86 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.854 -179.418 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 75.9 t -77.44 -37.48 25.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.151 -174.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.488 HG12 HD23 ' A' ' 83' ' ' LEU . 71.2 mt -59.26 -38.97 77.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.122 175.234 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 10.8 t -67.85 -40.89 83.6 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.231 -0.441 . . . . 0.0 109.955 -179.716 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 -60.35 -38.68 84.58 Favored 'General case' 0 CA--C 1.52 -0.198 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.904 179.598 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 71.8 mt -84.94 -50.16 15.03 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.856 -178.052 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.431 ' O ' HG23 ' A' ' 66' ' ' VAL . 51.9 t80 -54.17 -50.21 67.52 Favored 'General case' 0 N--CA 1.465 0.313 0 N-CA-C 111.611 0.226 . . . . 0.0 111.611 -175.32 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 16.5 t -63.23 -28.48 70.06 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.153 0.501 . . . . 0.0 110.27 -179.101 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -72.92 -41.62 48.22 Favored Glycine 0 N--CA 1.447 -0.569 0 N-CA-C 111.176 -0.77 . . . . 0.0 111.176 178.048 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.499 HG12 HG12 ' A' ' 70' ' ' VAL . 91.1 t -64.08 -47.76 88.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 115.269 -0.466 . . . . 0.0 110.911 178.034 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.431 HG23 ' O ' ' A' ' 62' ' ' TYR . 64.5 t -61.68 -35.35 66.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.854 -179.731 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -74.96 -2.1 25.59 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.738 179.067 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 30.7 t -87.53 -10.28 52.11 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.752 0.311 . . . . 0.0 110.526 178.01 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 89.37 32.05 10.92 Favored Glycine 0 C--N 1.329 0.193 0 C-N-CA 120.637 -0.792 . . . . 0.0 112.176 179.629 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.499 HG12 HG12 ' A' ' 65' ' ' VAL . 14.0 p -89.82 160.9 2.72 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 N-CA-C 110.137 -0.32 . . . . 0.0 110.137 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 42.8 t -55.87 139.47 45.78 Favored 'General case' 0 N--CA 1.451 -0.379 0 N-CA-C 109.895 -0.409 . . . . 0.0 109.895 173.248 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 20.4 m -57.58 -32.74 67.45 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.046 0.387 . . . . 0.0 112.046 -174.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -90.55 -33.31 15.95 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.709 -0.396 . . . . 0.0 110.507 -177.409 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.505 ' HA ' ' CE1' ' A' ' 23' ' ' TYR . 55.0 tt0 -69.31 -24.87 63.99 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-O 121.101 0.477 . . . . 0.0 110.65 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -57.46 -38.21 74.1 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.561 -0.745 . . . . 0.0 111.528 178.768 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -56.27 -48.18 77.09 Favored 'General case' 0 C--N 1.331 -0.203 0 O-C-N 123.24 0.337 . . . . 0.0 110.21 179.238 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.657 ' O ' ' HG ' ' A' ' 81' ' ' LEU . 32.3 mm -61.37 -55.57 23.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.984 -176.273 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . 0.476 ' HB2' ' HB3' ' A' ' 26' ' ' ALA . 20.1 tt0 -57.73 -46.6 84.23 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 120.609 0.242 . . . . 0.0 111.093 179.352 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -58.05 -39.11 77.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.55 -179.061 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.657 ' O ' HD22 ' A' ' 84' ' ' LEU . 2.7 mm? -68.95 -47.38 65.82 Favored 'General case' 0 N--CA 1.447 -0.575 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.137 176.214 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.657 ' HG ' ' O ' ' A' ' 77' ' ' ILE . 14.3 mt -63.44 -38.66 91.99 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.638 0.256 . . . . 0.0 111.549 -174.523 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -60.4 -44.93 95.22 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.924 0.392 . . . . 0.0 110.368 172.512 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.488 HD23 HG12 ' A' ' 58' ' ' ILE . 32.9 tp -59.46 -44.43 92.99 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.88 176.601 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.657 HD22 ' O ' ' A' ' 80' ' ' LEU . 3.8 mm? -60.85 -13.37 15.07 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.45 -0.795 . . . . 0.0 111.747 -178.349 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.472 ' OG ' HD13 ' B' ' 108' ' ' LEU . 19.5 m -98.38 -28.52 13.61 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.62 -0.264 . . . . 0.0 110.904 -178.922 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.406 ' O ' HG12 ' A' ' 90' ' ' VAL . . . -70.04 -41.36 74.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.273 0.559 . . . . 0.0 110.503 -177.387 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.462 ' HG ' ' O ' ' A' ' 83' ' ' LEU . 1.1 pp -84.82 -15.6 44.27 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.486 -0.779 . . . . 0.0 112.777 -172.199 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.451 ' N ' HD13 ' A' ' 87' ' ' LEU . 15.4 m -91.8 -28.95 4.63 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.294 0 C-N-CA 120.397 -0.521 . . . . 0.0 110.86 177.338 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 60.6 t60 -66.47 -35.99 81.64 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.919 0.39 . . . . 0.0 110.184 179.04 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.406 HG12 ' O ' ' A' ' 86' ' ' ALA . 31.4 m -64.59 -26.39 40.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.247 -176.826 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.441 ' HA ' ' HB3' ' A' ' 94' ' ' ALA . 3.5 mm? -67.02 -21.66 65.92 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.588 -0.278 . . . . 0.0 111.427 -179.292 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 32.8 t -64.25 -29.5 70.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.089 0.471 . . . . 0.0 110.173 178.416 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' SER . . . . . 0.459 ' HB2' HG12 ' B' ' 99' ' ' VAL . 57.3 m -110.52 -15.81 13.81 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.691 -178.153 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . 0.441 ' HB3' ' HA ' ' A' ' 91' ' ' LEU . . . -83.91 101.21 11.51 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.481 -0.782 . . . . 0.0 111.059 178.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 11.8 t -76.51 93.47 3.55 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 176.37 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.449 HD13 ' HB3' ' B' ' 47' ' ' ALA . 19.6 tt -75.01 143.6 13.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.647 -177.623 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -97.11 -106.23 2.38 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.879 -0.677 . . . . 0.0 112.804 -179.526 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -120.03 110.26 16.47 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.773 0.32 . . . . 0.0 110.902 -176.24 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.411 ' CG1' HD12 ' A' ' 96' ' ' ILE . 4.7 m -95.64 140.89 16.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.771 177.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 27.2 m -98.02 152.13 19.6 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.475 -179.391 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 44.3 m -87.23 4.87 40.88 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.007 0.432 . . . . 0.0 110.269 178.639 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 7.1 p -110.95 132.89 58.19 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.596 0 CA-C-O 121.292 0.568 . . . . 0.0 109.647 -179.515 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 109.7 -16.8 30.96 Favored Glycine 0 N--CA 1.446 -0.699 0 CA-C-N 115.506 -0.77 . . . . 0.0 111.755 -179.026 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.414 ' O ' HD22 ' A' ' 108' ' ' LEU . 17.9 t -59.59 -32.67 49.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-O 120.894 0.378 . . . . 0.0 110.027 177.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -50.32 -38.13 40.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.275 -0.875 . . . . 0.0 111.064 178.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 17.9 m -81.39 -27.09 34.96 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.141 -178.343 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 23.3 m -70.32 -32.4 70.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.062 0.458 . . . . 0.0 110.031 -179.626 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.631 ' O ' ' HG3' ' A' ' 112' ' ' GLN . 4.6 mm? -58.02 -27.69 63.78 Favored 'General case' 0 C--O 1.221 -0.418 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.493 174.897 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . 0.535 ' N ' HD21 ' A' ' 109' ' ' ASN . 0.8 OUTLIER -74.19 -27.82 60.99 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.042 0.449 . . . . 0.0 110.502 -178.536 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 15.9 t -81.23 -37.2 15.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.518 -176.707 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.537 HG11 ' O ' ' A' ' 108' ' ' LEU . 9.5 p -64.48 -32.25 56.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.223 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . 0.631 ' HG3' ' O ' ' A' ' 108' ' ' LEU . 22.4 mt-30 -66.4 -24.81 66.54 Favored 'General case' 0 CA--C 1.519 -0.218 0 CA-C-O 121.294 0.569 . . . . 0.0 110.207 179.38 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -85.26 -33.49 22.16 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.312 -0.858 . . . . 0.0 109.936 -177.67 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' SER . . . . . 0.468 ' OG ' ' HD3' ' A' ' 55' ' ' PRO . 15.1 m -77.63 -46.75 21.11 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 114.941 -1.027 . . . . 0.0 111.728 -173.023 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . 0.453 HG13 ' O ' ' A' ' 111' ' ' VAL . 12.0 p -112.24 -19.61 6.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.617 -174.156 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -57.67 -31.47 63.9 Favored Glycine 0 C--O 1.228 -0.248 0 C-N-CA 121.202 -0.523 . . . . 0.0 112.769 -178.306 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.68 -3.33 56.19 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 111.965 0.357 . . . . 0.0 111.965 -179.595 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -107.96 -26.28 10.78 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.8 0.333 . . . . 0.0 110.338 178.095 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . 0.403 ' O ' ' HB3' ' B' ' 22' ' ' SER . 33.4 m . . . . . 0 C--N 1.331 -0.206 0 CA-C-O 121.181 0.515 . . . . 0.0 110.615 175.017 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 22' ' ' SER . . . . . 0.403 ' HB3' ' O ' ' A' ' 119' ' ' VAL . 40.1 m . . . . . 0 N--CA 1.448 -0.565 0 CA-C-O 120.885 0.374 . . . . 0.0 110.872 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 23' ' ' TYR . . . . . 0.432 ' CE1' ' HA ' ' B' ' 74' ' ' GLU . 0.0 OUTLIER -152.91 135.41 15.15 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.205 -0.452 . . . . 0.0 109.783 -178.841 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -94.28 -13.15 26.8 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.457 -178.293 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.54 -34.61 89.99 Favored Glycine 0 N--CA 1.453 -0.207 0 C-N-CA 120.622 -0.799 . . . . 0.0 111.658 -177.757 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 26' ' ' ALA . . . . . 0.493 ' HB3' ' HB2' ' B' ' 78' ' ' GLN . . . -65.62 -26.05 67.65 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.232 0.539 . . . . 0.0 110.799 176.627 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 27' ' ' VAL . . . . . 0.441 ' CG1' ' HA ' ' A' ' 112' ' ' GLN . 2.3 t -86.63 -40.41 14.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-O 121.605 0.717 . . . . 0.0 110.539 -174.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 69.1 m-20 -69.47 -17.22 63.6 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.759 -172.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 29' ' ' ARG . . . . . 0.412 HH21 ' CD ' ' B' ' 34' ' ' GLU . 12.6 ptm180 -95.83 6.86 47.87 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.871 0.367 . . . . 0.0 110.934 -178.749 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . 0.486 ' HB3' HD12 ' A' ' 108' ' ' LEU . 98.8 mt -75.78 -25.93 56.88 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.899 0.381 . . . . 0.0 110.872 -179.027 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 13.7 p -73.6 -2.9 24.87 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.225 0.536 . . . . 0.0 110.769 178.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 68.3 m -85.01 157.83 20.65 Favored 'General case' 0 N--CA 1.443 -0.824 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.756 178.456 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.56 -24.14 66.44 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.369 -179.674 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . 0.412 ' CD ' HH21 ' B' ' 29' ' ' ARG . 28.9 mt-10 -50.4 -57.74 7.29 Favored 'General case' 0 CA--C 1.521 -0.157 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.818 178.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 35' ' ' ALA . . . . . 0.596 ' O ' HG22 ' B' ' 39' ' ' VAL . . . -63.8 -61.07 2.53 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.868 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -48.64 -35.18 13.18 Favored 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 112.592 0.59 . . . . 0.0 112.592 -174.503 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 30.1 t -69.94 -27.65 64.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.712 0.291 . . . . 0.0 111.41 -178.021 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 58.4 mtp85 -96.0 -39.97 9.5 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.646 0.736 . . . . 0.0 109.671 -176.702 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 39' ' ' VAL . . . . . 0.596 HG22 ' O ' ' B' ' 35' ' ' ALA . 39.7 t -61.48 -42.4 93.75 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.762 0 CA-C-N 114.594 -1.185 . . . . 0.0 110.676 179.633 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 78.4 p -74.19 -8.27 55.61 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.993 0.425 . . . . 0.0 111.271 179.73 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 30.6 t -90.66 -17.59 26.55 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.09 0.472 . . . . 0.0 110.319 -179.713 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 46.4 m-80 -114.2 -2.83 13.29 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.281 -175.319 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 43' ' ' ILE . . . . . 0.483 HG23 ' O ' ' B' ' 39' ' ' VAL . 4.0 pt -57.87 -41.86 80.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.991 0.424 . . . . 0.0 111.07 178.173 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 44' ' ' ALA . . . . . 0.447 ' N ' HG13 ' B' ' 43' ' ' ILE . . . -77.2 -14.14 59.82 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.034 0.445 . . . . 0.0 111.015 -176.056 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -81.83 -51.27 8.29 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.365 -179.611 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 46' ' ' ILE . . . . . 0.414 HG23 ' HB3' ' B' ' 87' ' ' LEU . 34.9 mt -67.67 -32.74 58.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.213 179.683 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . 0.449 ' HB3' HD13 ' A' ' 96' ' ' ILE . . . -65.2 -16.56 63.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.511 178.558 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 47.1 m -106.96 -31.07 8.48 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.632 -177.009 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -97.53 -28.59 8.35 Favored Glycine 0 N--CA 1.453 -0.218 0 C-N-CA 120.545 -0.836 . . . . 0.0 112.957 -179.19 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 76.98 -73.41 1.96 Allowed Glycine 0 N--CA 1.448 -0.551 0 N-CA-C 111.664 -0.574 . . . . 0.0 111.664 -178.545 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -120.58 -28.75 4.87 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 120.869 0.366 . . . . 0.0 110.874 -179.394 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 11.3 p -73.91 -10.05 59.26 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.014 0.435 . . . . 0.0 111.206 -176.032 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -89.56 -15.78 32.13 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.559 179.651 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 54' ' ' LEU . . . . . 0.441 HD11 HG12 ' A' ' 88' ' ' VAL . 38.4 mt -56.38 -59.17 12.82 Favored Pre-proline 0 C--N 1.327 -0.385 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.846 -176.81 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 55' ' ' PRO . . . . . 0.432 ' HD2' ' N ' ' B' ' 54' ' ' LEU . 15.8 Cg_endo -57.72 -25.59 69.04 Favored 'Trans proline' 0 C--N 1.353 0.773 0 C-N-CA 122.272 1.981 . . . . 0.0 112.335 -177.059 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 14.9 m -86.76 -42.65 13.16 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.142 -178.763 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 77.6 t -77.52 -37.6 24.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.978 0.418 . . . . 0.0 110.543 -174.319 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 58' ' ' ILE . . . . . 0.448 HG12 ' HG ' ' B' ' 83' ' ' LEU . 67.4 mt -57.95 -38.16 64.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.806 174.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 23.1 t -69.91 -42.84 72.81 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.269 179.676 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 96.1 m-20 -55.99 -47.76 77.12 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.832 179.524 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . 0.426 ' O ' HG23 ' B' ' 65' ' ' VAL . 54.5 mt -75.48 -47.5 34.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 115.521 -0.763 . . . . 0.0 111.583 -177.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 62' ' ' TYR . . . . . 0.423 ' O ' HG23 ' B' ' 66' ' ' VAL . 51.1 t80 -52.62 -50.03 63.93 Favored 'General case' 0 N--CA 1.467 0.388 0 O-C-N 123.087 0.242 . . . . 0.0 111.21 -177.635 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 29.8 t -60.77 -30.52 70.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.499 -179.756 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -74.58 -40.21 39.23 Favored Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 120.4 -0.905 . . . . 0.0 111.155 179.038 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 65' ' ' VAL . . . . . 0.468 HG11 HG12 ' B' ' 70' ' ' VAL . 98.0 t -63.19 -47.4 92.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-N 115.171 -0.514 . . . . 0.0 110.912 178.517 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 66' ' ' VAL . . . . . 0.423 HG23 ' O ' ' B' ' 62' ' ' TYR . 68.6 t -62.14 -37.9 79.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.609 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -70.47 -5.87 31.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.869 178.648 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 30.7 t -89.22 -5.37 57.71 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-O 120.894 0.378 . . . . 0.0 110.706 179.162 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 84.6 29.59 29.29 Favored Glycine 0 C--N 1.33 0.242 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.328 178.118 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . 0.468 HG12 HG11 ' B' ' 65' ' ' VAL . 14.1 p -78.64 164.98 3.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 115.592 -0.304 . . . . 0.0 110.245 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 71' ' ' SER . . . . . 0.418 ' N ' HG22 ' B' ' 70' ' ' VAL . 45.4 t -61.87 139.05 58.4 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 172.475 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 10.0 m -52.68 -38.55 60.71 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 112.378 0.51 . . . . 0.0 112.378 -174.056 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -89.69 -30.95 17.72 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.791 0.329 . . . . 0.0 110.52 -175.883 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 74' ' ' GLU . . . . . 0.432 ' HA ' ' CE1' ' B' ' 23' ' ' TYR . 45.0 tt0 -70.24 -24.47 63.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.875 0.369 . . . . 0.0 110.61 179.608 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -54.93 -37.99 67.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.811 -0.632 . . . . 0.0 111.485 178.096 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -57.49 -48.16 79.97 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 177.054 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 77' ' ' ILE . . . . . 0.704 ' O ' ' HG ' ' B' ' 81' ' ' LEU . 37.5 mm -64.1 -55.19 23.4 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-N 115.453 -0.794 . . . . 0.0 111.259 -176.127 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 78' ' ' GLN . . . . . 0.493 ' HB2' ' HB3' ' B' ' 26' ' ' ALA . 28.6 tt0 -56.59 -45.56 81.3 Favored 'General case' 0 N--CA 1.464 0.269 0 C-N-CA 120.871 -0.332 . . . . 0.0 111.134 179.297 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -57.18 -44.04 83.2 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.982 0.42 . . . . 0.0 110.624 178.649 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 80' ' ' LEU . . . . . 0.627 ' O ' HD21 ' B' ' 84' ' ' LEU . 3.5 mm? -68.26 -38.85 82.18 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.476 177.725 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . 0.704 ' HG ' ' O ' ' B' ' 77' ' ' ILE . 81.1 mt -60.84 -47.48 86.17 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.904 0.383 . . . . 0.0 110.979 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 57.7 mt-10 -64.96 -37.82 88.91 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.637 177.495 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 83' ' ' LEU . . . . . 0.448 ' HG ' HG12 ' B' ' 58' ' ' ILE . 3.4 tm? -60.48 -46.06 91.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.725 -0.671 . . . . 0.0 109.914 176.07 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 84' ' ' LEU . . . . . 0.627 HD21 ' O ' ' B' ' 80' ' ' LEU . 4.0 mm? -68.67 -7.96 38.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.844 -178.759 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 42.1 m -95.43 -34.84 11.95 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 120.86 0.362 . . . . 0.0 110.703 -178.715 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -67.9 -44.46 76.9 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.083 -176.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 87' ' ' LEU . . . . . 0.448 HD12 ' N ' ' B' ' 88' ' ' VAL . 1.2 pp -79.6 -16.78 55.24 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 113.16 0.8 . . . . 0.0 113.16 -171.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 88' ' ' VAL . . . . . 0.448 ' N ' HD12 ' B' ' 87' ' ' LEU . 16.9 m -91.64 -26.02 5.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 C-N-CA 120.228 -0.589 . . . . 0.0 110.735 177.253 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 89' ' ' HIS . . . . . 0.41 ' CD2' HG23 ' A' ' 104' ' ' VAL . 69.3 t60 -67.46 -36.25 80.8 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.063 177.545 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 90' ' ' VAL . . . . . 0.449 ' HB ' ' CD1' ' A' ' 96' ' ' ILE . 32.0 m -64.55 -25.9 39.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.517 -175.694 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 91' ' ' LEU . . . . . 0.432 ' HA ' ' HB3' ' B' ' 94' ' ' ALA . 3.1 mm? -68.43 -20.43 64.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.609 -0.269 . . . . 0.0 111.175 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 33.1 t -62.96 -31.41 72.51 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.054 0.454 . . . . 0.0 110.269 178.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 19.2 m -116.09 13.53 15.82 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.248 0.547 . . . . 0.0 110.305 -179.623 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 94' ' ' ALA . . . . . 0.432 ' HB3' ' HA ' ' B' ' 91' ' ' LEU . . . -109.29 98.83 8.19 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.65 179.232 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 16.8 t -75.24 93.42 2.84 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 177.322 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 96' ' ' ILE . . . . . 0.43 HD12 ' HB3' ' A' ' 47' ' ' ALA . 18.9 tt -71.59 144.85 12.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.711 -177.54 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 97' ' ' GLY . . . . . . . . . . . . . . . -92.03 -106.22 1.55 Allowed Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 120.974 -0.631 . . . . 0.0 112.245 179.517 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 98' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -126.1 109.82 12.81 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 110.148 -0.316 . . . . 0.0 110.148 -178.261 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 99' ' ' VAL . . . . . 0.459 HG12 ' HB2' ' A' ' 93' ' ' SER . 12.8 m -91.91 165.0 2.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.109 175.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 100' ' ' SER . . . . . . . . . . . . . 44.1 m -139.75 155.47 47.3 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 120.725 0.298 . . . . 0.0 110.664 -179.459 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 26.7 m -84.26 6.42 22.87 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.371 -176.652 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 4.8 p -98.35 113.94 34.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-O 121.562 0.696 . . . . 0.0 110.64 -179.425 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . 114.04 -9.43 23.02 Favored Glycine 0 N--CA 1.448 -0.563 0 CA-C-N 115.266 -0.879 . . . . 0.0 112.557 178.488 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 104' ' ' VAL . . . . . . . . . . . . . 46.5 t -62.2 -34.56 64.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 177.2 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -50.89 -43.54 59.72 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 121.741 0.781 . . . . 0.0 110.227 178.628 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 4.4 m -71.34 -25.93 62.6 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.011 -0.995 . . . . 0.0 111.09 -179.087 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 23.1 m -74.69 -34.05 62.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.899 0.38 . . . . 0.0 110.225 -177.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 108' ' ' LEU . . . . . 0.617 ' O ' HG11 ' B' ' 111' ' ' VAL . 4.3 mm? -58.46 -37.38 75.34 Favored 'General case' 0 C--O 1.226 -0.179 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.514 176.2 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 109' ' ' ASN . . . . . . . . . . . . . 19.0 m-80 -65.8 -25.32 67.19 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.497 -178.272 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 110' ' ' VAL . . . . . . . . . . . . . 24.3 t -86.74 -38.69 12.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.062 -177.112 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 111' ' ' VAL . . . . . 0.617 HG11 ' O ' ' B' ' 108' ' ' LEU . 8.8 p -61.46 -28.95 45.0 Favored 'Isoleucine or valine' 0 C--O 1.235 0.299 0 CA-C-O 121.249 0.547 . . . . 0.0 110.115 -179.516 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 112' ' ' GLN . . . . . 0.578 ' HG3' ' O ' ' B' ' 108' ' ' LEU . 25.3 mt-30 -63.85 -23.83 67.51 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.707 179.187 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 113' ' ' ASP . . . . . 0.419 ' O ' ' HG2' ' B' ' 117' ' ' GLN . 28.6 t70 -80.69 -38.87 28.14 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.578 -178.862 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 11.1 m -76.49 -36.94 57.54 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.302 -0.863 . . . . 0.0 112.223 -170.315 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 115' ' ' VAL . . . . . 0.487 HG12 HD21 ' A' ' 81' ' ' LEU . 12.9 p -112.07 -22.67 4.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-O 120.831 0.348 . . . . 0.0 111.385 -176.492 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 116' ' ' GLY . . . . . . . . . . . . . . . -63.87 -16.71 59.74 Favored Glycine 0 C--O 1.226 -0.392 0 CA-C-N 116.27 -0.423 . . . . 0.0 113.121 -176.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 117' ' ' GLN . . . . . 0.419 ' HG2' ' O ' ' B' ' 113' ' ' ASP . 0.0 OUTLIER -93.19 0.4 57.12 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.926 0.393 . . . . 0.0 111.432 178.626 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 118' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -113.63 -29.34 7.17 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.373 177.43 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 119' ' ' VAL . . . . . . . . . . . . . 34.6 m -93.09 -3.15 10.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.12 177.362 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.969 0 CA-C-O 118.039 -1.423 . . . . 0.0 110.931 -178.809 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.468 ' HB3' ' O ' ' B' ' 119' ' ' VAL . 29.5 m . . . . . 0 N--CA 1.446 -0.643 0 CA-C-O 120.828 0.346 . . . . 0.0 110.303 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.537 ' CE1' ' HA ' ' A' ' 74' ' ' GLU . 0.1 OUTLIER -149.06 125.52 10.94 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.097 -0.501 . . . . 0.0 109.827 -177.786 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -83.86 -27.8 28.43 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.852 -176.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.404 ' HA2' HD21 ' A' ' 28' ' ' ASN . . . -60.97 -31.65 77.2 Favored Glycine 0 CA--C 1.508 -0.375 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.276 -179.685 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.455 ' HB3' ' HB2' ' A' ' 78' ' ' GLN . . . -65.88 -17.35 64.59 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.213 0.53 . . . . 0.0 110.355 177.744 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.53 HG23 ' CD1' ' A' ' 81' ' ' LEU . 3.2 t -96.15 -45.1 13.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.314 -179.335 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . 0.404 HD21 ' HA2' ' A' ' 25' ' ' GLY . 45.8 m-80 -62.87 -32.19 73.37 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.685 -0.406 . . . . 0.0 110.395 -179.273 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.452 HH21 HG12 ' A' ' 65' ' ' VAL . 6.3 ttp85 -67.47 -7.49 25.97 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.759 -179.061 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.441 HD11 ' HB3' ' A' ' 81' ' ' LEU . 75.0 mt -76.15 -19.88 58.08 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.738 0.304 . . . . 0.0 111.015 -179.004 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 60.7 p -75.85 -10.4 59.4 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.023 0.44 . . . . 0.0 110.774 -178.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 34.9 t -78.0 155.91 30.45 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.154 179.318 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.01 -18.0 63.87 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.3 -178.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -58.08 -50.59 72.94 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.579 179.533 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.668 ' O ' HG23 ' A' ' 39' ' ' VAL . . . -62.49 -55.79 24.21 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.413 178.459 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.61 -35.8 32.02 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.678 -177.047 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 24.9 t -73.18 -20.67 60.84 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.088 -0.506 . . . . 0.0 112.113 -178.563 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.459 ' HD2' ' OE1' ' A' ' 82' ' ' GLU . 56.5 mtt180 -99.31 -51.24 3.86 Favored 'General case' 0 CA--C 1.514 -0.407 0 CA-C-O 121.868 0.842 . . . . 0.0 109.5 -178.849 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.668 HG23 ' O ' ' A' ' 35' ' ' ALA . 26.0 t -56.26 -41.26 69.91 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-N 114.081 -1.418 . . . . 0.0 111.191 -176.411 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.441 ' O ' HG12 ' A' ' 43' ' ' ILE . 91.7 p -78.85 -4.79 51.35 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.98 0.419 . . . . 0.0 111.559 -176.867 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 22.6 t -99.19 -5.98 29.02 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.109 0.48 . . . . 0.0 110.096 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 45.9 m-80 -117.27 -5.52 11.32 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.575 -178.587 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.481 HG22 ' O ' ' A' ' 39' ' ' VAL . 7.7 pt -58.15 -43.61 85.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.605 179.691 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.481 ' N ' HG13 ' A' ' 43' ' ' ILE . . . -75.92 -14.69 60.26 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.106 0.479 . . . . 0.0 110.94 -175.186 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -78.69 -49.55 12.93 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.789 178.764 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 36.6 mt -67.37 -33.98 65.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.132 179.289 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.457 ' HB3' HD13 ' B' ' 96' ' ' ILE . . . -61.46 -26.21 67.74 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.169 179.067 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 24.9 m -98.88 -32.23 11.44 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.696 -175.607 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -99.15 -25.82 9.27 Favored Glycine 0 CA--C 1.519 0.333 0 C-N-CA 120.562 -0.827 . . . . 0.0 113.416 -176.459 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 73.43 -76.13 0.96 Allowed Glycine 0 N--CA 1.45 -0.381 0 N-CA-C 111.726 -0.55 . . . . 0.0 111.726 -178.484 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -118.94 -22.94 7.08 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-O 121.005 0.431 . . . . 0.0 110.313 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 35.8 t -72.2 -14.81 61.89 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.833 -0.622 . . . . 0.0 110.678 -177.601 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -90.39 -17.64 26.9 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.812 -177.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.405 ' N ' ' HD2' ' A' ' 55' ' ' PRO . 55.0 mt -53.86 -56.92 20.46 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.029 -0.532 . . . . 0.0 112.172 -175.704 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.405 ' HD2' ' N ' ' A' ' 54' ' ' LEU . 28.6 Cg_endo -63.66 -13.69 38.25 Favored 'Trans proline' 0 C--N 1.353 0.772 0 C-N-CA 122.103 1.869 . . . . 0.0 112.87 -175.868 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 38.6 m -100.49 -37.99 8.58 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.82 0.343 . . . . 0.0 111.101 179.541 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 79.4 t -75.96 -38.01 35.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 121.038 0.447 . . . . 0.0 109.926 -175.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.456 HG12 HD23 ' A' ' 83' ' ' LEU . 72.1 mt -58.26 -39.39 73.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.775 -0.648 . . . . 0.0 109.766 173.821 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 23.8 t -67.42 -40.7 85.54 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.2 -177.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 95.9 m-20 -61.91 -49.6 75.51 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.887 178.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 59.9 mt -73.24 -46.55 49.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.805 -176.257 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.515 ' O ' HG23 ' A' ' 66' ' ' VAL . 61.7 t80 -53.65 -55.68 23.87 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 120.69 0.281 . . . . 0.0 111.07 -177.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 23.0 t -62.69 -27.74 69.46 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.568 -178.433 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -69.33 -40.94 80.09 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.948 -0.644 . . . . 0.0 112.092 178.453 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.452 HG12 HH21 ' A' ' 29' ' ' ARG . 36.3 t -74.11 -39.48 50.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.823 0.344 . . . . 0.0 110.625 178.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.515 HG23 ' O ' ' A' ' 62' ' ' TYR . 97.3 t -59.99 -34.42 56.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.672 179.291 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.7 -20.46 56.46 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.957 -0.565 . . . . 0.0 112.154 178.768 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 50.8 m -72.51 -22.22 61.07 Favored 'General case' 0 N--CA 1.445 -0.677 0 CA-C-O 120.773 0.321 . . . . 0.0 111.404 179.755 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 98.93 15.38 33.78 Favored Glycine 0 C--N 1.33 0.214 0 C-N-CA 120.531 -0.843 . . . . 0.0 112.067 -176.486 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 12.5 p -69.78 160.65 4.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 C-N-CA 122.574 0.35 . . . . 0.0 110.415 179.365 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 35.6 t -59.55 143.53 49.98 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 175.314 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 12.6 t -63.39 -36.9 85.26 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.485 -172.53 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -84.23 -31.41 25.04 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.96 0.409 . . . . 0.0 109.95 -178.449 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.537 ' HA ' ' CE1' ' A' ' 23' ' ' TYR . 37.9 tt0 -68.85 -31.76 70.95 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.318 0.58 . . . . 0.0 109.756 177.809 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.26 -36.43 75.49 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.286 -0.87 . . . . 0.0 111.489 177.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -57.96 -45.21 87.06 Favored 'General case' 0 N--CA 1.463 0.215 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.677 ' O ' ' HG ' ' A' ' 81' ' ' LEU . 39.1 mm -63.13 -56.04 19.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.857 -178.188 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . 0.455 ' HB2' ' HB3' ' A' ' 26' ' ' ALA . 8.9 tt0 -59.41 -44.85 92.78 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.831 -0.348 . . . . 0.0 111.109 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -59.44 -38.62 81.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.01 0.433 . . . . 0.0 110.869 179.729 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.656 ' O ' HD23 ' A' ' 84' ' ' LEU . 5.3 mt -70.75 -40.6 72.62 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.822 177.487 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.677 ' HG ' ' O ' ' A' ' 77' ' ' ILE . 32.0 mt -69.45 -34.06 73.84 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 120.87 0.367 . . . . 0.0 110.932 -178.51 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.459 ' OE1' ' HD2' ' A' ' 38' ' ' ARG . 40.0 mt-10 -69.88 -14.79 62.91 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.794 171.383 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.472 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 43.1 tp -88.39 -43.99 11.09 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-O 121.256 0.551 . . . . 0.0 110.09 173.733 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.656 HD23 ' O ' ' A' ' 80' ' ' LEU . 4.1 mm? -64.6 -9.37 18.87 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.309 -0.859 . . . . 0.0 111.915 -177.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 2.7 p -101.62 -18.84 15.7 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 120.783 0.325 . . . . 0.0 110.989 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.405 ' HB2' HG11 ' A' ' 39' ' ' VAL . . . -80.58 -49.71 10.95 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.562 0.696 . . . . 0.0 110.375 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.507 HD11 ' N ' ' A' ' 88' ' ' VAL . 1.1 pp -73.26 -22.25 60.43 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.057 -0.974 . . . . 0.0 112.836 -172.365 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.507 ' N ' HD11 ' A' ' 87' ' ' LEU . 22.5 m -87.15 -23.94 6.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 C-N-CA 120.596 -0.442 . . . . 0.0 110.593 177.551 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 76.9 t60 -69.45 -36.72 76.88 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.235 179.656 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.435 HG23 ' O ' ' A' ' 87' ' ' LEU . 22.5 m -65.36 -26.82 40.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.484 -175.725 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.417 ' HA ' ' HB1' ' A' ' 94' ' ' ALA . 3.7 mm? -64.38 -25.17 67.91 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.6 -0.273 . . . . 0.0 111.282 -179.876 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 34.7 t -62.53 -28.33 69.78 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.096 0.475 . . . . 0.0 110.917 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' SER . . . . . 0.513 ' HB2' HG12 ' B' ' 99' ' ' VAL . 19.6 m -115.67 0.69 13.32 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.67 0.748 . . . . 0.0 110.702 -178.818 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . 0.417 ' HB1' ' HA ' ' A' ' 91' ' ' LEU . . . -95.47 113.42 25.07 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-N 115.168 -0.924 . . . . 0.0 110.874 178.704 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 8.5 t -84.44 88.42 7.29 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 177.64 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.454 HD12 ' HB1' ' B' ' 47' ' ' ALA . 15.9 tt -70.17 135.18 28.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.268 179.739 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -84.02 -75.53 1.2 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.271 -177.503 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 39.0 t30 -154.49 139.05 16.88 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 176.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 4.9 m -123.21 138.86 51.72 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.806 0 CA-C-O 120.986 0.422 . . . . 0.0 110.505 178.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 16.8 m -112.63 148.93 33.58 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.238 -176.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' SER . . . . . 0.459 ' HB3' ' HB2' ' B' ' 40' ' ' SER . 46.5 m -72.34 -9.05 57.99 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.215 0.531 . . . . 0.0 111.433 -177.483 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 43.8 t -84.96 101.65 9.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.042 -176.176 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 132.19 -12.95 5.24 Favored Glycine 0 N--CA 1.453 -0.196 0 C-N-CA 120.616 -0.802 . . . . 0.0 112.931 176.107 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.413 ' O ' HD11 ' A' ' 108' ' ' LEU . 48.3 t -57.5 -33.54 44.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.585 0.231 . . . . 0.0 110.644 178.172 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -52.91 -39.95 63.16 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.376 178.338 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 12.6 m -77.62 -39.68 44.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.562 -0.744 . . . . 0.0 111.239 -177.537 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 30.4 m -60.61 -33.97 73.55 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-O 121.35 0.595 . . . . 0.0 110.597 178.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.464 HD23 HG23 ' B' ' 39' ' ' VAL . 3.0 mt -60.75 -24.53 65.8 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.422 -0.808 . . . . 0.0 111.772 178.5 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . 0.494 ' N ' HD21 ' A' ' 109' ' ' ASN . 0.8 OUTLIER -77.27 -17.75 58.14 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.909 0.385 . . . . 0.0 110.38 -179.85 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 38.9 t -90.78 -35.92 7.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.864 -176.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.452 HG12 ' OG ' ' B' ' 85' ' ' SER . 11.1 p -64.52 -25.29 37.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 121.325 0.583 . . . . 0.0 110.636 -179.421 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . 0.437 ' HG3' ' O ' ' A' ' 108' ' ' LEU . 23.1 mt-30 -71.76 -18.68 62.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.475 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -84.27 -35.33 23.46 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.896 -175.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 10.4 p -78.64 -46.14 19.89 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.405 -0.816 . . . . 0.0 112.053 -172.211 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . 0.438 HG13 HD21 ' B' ' 81' ' ' LEU . 14.8 p -107.39 -19.04 6.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-O 120.808 0.337 . . . . 0.0 111.46 -172.655 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -57.7 -27.46 58.95 Favored Glycine 0 C--O 1.228 -0.226 0 C-N-CA 121.159 -0.543 . . . . 0.0 112.901 -178.514 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -87.28 0.58 55.18 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 111.72 0.267 . . . . 0.0 111.72 -178.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 88.6 m-85 -110.81 -30.36 7.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.014 0.435 . . . . 0.0 109.951 176.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 34.0 m . . . . . 0 C--N 1.327 -0.375 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.646 176.03 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 6.9 m . . . . . 0 N--CA 1.444 -0.761 0 CA-C-O 120.725 0.298 . . . . 0.0 110.355 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -148.17 123.22 10.09 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.794 -177.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -81.9 -17.23 47.94 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.527 -177.636 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -68.66 -26.74 74.29 Favored Glycine 0 CA--C 1.51 -0.271 0 C-N-CA 120.564 -0.827 . . . . 0.0 111.772 179.688 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -76.33 1.67 15.54 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.62 0.724 . . . . 0.0 110.247 176.128 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 27' ' ' VAL . . . . . 0.462 HG23 ' CD1' ' B' ' 81' ' ' LEU . 2.8 t -112.22 -36.23 2.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 115.103 -0.953 . . . . 0.0 109.636 178.298 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 70.7 m-20 -77.24 -14.49 59.75 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.736 -0.666 . . . . 0.0 111.367 -174.11 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 74.5 ttt180 -82.28 -7.31 59.63 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.286 0.565 . . . . 0.0 110.086 178.27 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . 0.467 HD11 ' HB3' ' B' ' 81' ' ' LEU . 82.2 mt -72.43 -30.42 64.6 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.187 -177.263 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 9.6 p -80.15 12.27 2.96 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.523 -178.359 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 45.2 t -102.1 160.97 14.05 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.154 178.479 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.42 -18.53 65.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.886 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -55.79 -61.24 2.5 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.437 177.244 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 35' ' ' ALA . . . . . 0.588 ' O ' HG21 ' B' ' 39' ' ' VAL . . . -61.12 -49.55 76.81 Favored 'General case' 0 CA--C 1.516 -0.36 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.604 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -51.58 -35.54 41.71 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.895 -176.742 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 39.8 m -80.02 -16.9 54.15 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 112.11 0.411 . . . . 0.0 112.11 -178.763 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 38' ' ' ARG . . . . . 0.53 ' HD2' ' OE1' ' B' ' 82' ' ' GLU . 73.9 mtt180 -96.49 -49.11 5.28 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 122.041 0.924 . . . . 0.0 109.191 179.767 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 39' ' ' VAL . . . . . 0.588 HG21 ' O ' ' B' ' 35' ' ' ALA . 48.2 t -60.73 -43.96 96.24 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.807 0 CA-C-N 113.902 -1.499 . . . . 0.0 111.202 -176.549 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 40' ' ' SER . . . . . 0.459 ' HB2' ' HB3' ' A' ' 101' ' ' SER . 94.8 p -73.5 -8.8 57.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.973 0.416 . . . . 0.0 111.437 -177.68 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 31.7 t -95.28 -2.26 49.74 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.217 179.659 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 48.8 m-80 -125.81 0.53 7.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.864 0.364 . . . . 0.0 111.22 -179.527 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 43' ' ' ILE . . . . . 0.487 HG13 ' N ' ' B' ' 44' ' ' ALA . 6.3 pt -61.71 -41.44 90.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.193 179.041 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 44' ' ' ALA . . . . . 0.487 ' N ' HG13 ' B' ' 43' ' ' ILE . . . -77.21 -15.97 59.26 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.006 0.431 . . . . 0.0 110.904 -175.099 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -77.24 -50.86 11.97 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.296 0.569 . . . . 0.0 110.027 179.814 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 46' ' ' ILE . . . . . 0.408 HG21 ' HB3' ' B' ' 87' ' ' LEU . 29.8 mt -67.14 -32.08 56.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.188 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . 0.454 ' HB1' HD12 ' A' ' 96' ' ' ILE . . . -64.37 -25.63 68.11 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.342 178.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 68.7 m -103.6 -6.65 21.46 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 112.369 0.507 . . . . 0.0 112.369 -176.419 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -124.73 -32.54 0.81 Allowed Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.101 -1.047 . . . . 0.0 113.23 -177.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 78.56 -78.37 1.64 Allowed Glycine 0 N--CA 1.444 -0.782 0 N-CA-C 111.122 -0.791 . . . . 0.0 111.122 -177.607 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -117.33 -20.98 8.92 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 120.88 0.371 . . . . 0.0 110.912 -178.514 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 14.6 p -72.3 -16.49 61.9 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.027 -176.575 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -92.55 -15.72 26.62 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.114 -177.63 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 54' ' ' LEU . . . . . 0.411 ' N ' ' HD2' ' B' ' 55' ' ' PRO . 49.1 mt -53.42 -57.78 15.53 Favored Pre-proline 0 CA--C 1.534 0.356 0 N-CA-C 112.375 0.509 . . . . 0.0 112.375 -175.431 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 55' ' ' PRO . . . . . 0.411 ' HD2' ' N ' ' B' ' 54' ' ' LEU . 25.8 Cg_endo -62.93 -19.73 69.66 Favored 'Trans proline' 0 C--N 1.353 0.792 0 C-N-CA 122.221 1.947 . . . . 0.0 112.565 -176.748 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 14.9 m -91.88 -32.88 15.14 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.978 0.418 . . . . 0.0 111.039 -178.547 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 76.0 t -85.68 -37.46 11.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.403 -174.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 58' ' ' ILE . . . . . 0.483 HG12 HD21 ' B' ' 83' ' ' LEU . 70.3 mt -57.97 -41.85 81.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.291 176.028 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 18.6 t -67.06 -32.85 74.32 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.176 -177.669 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 88.7 m-20 -62.97 -51.43 66.9 Favored 'General case' 0 CA--C 1.519 -0.222 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.214 177.366 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . 0.401 ' O ' HG21 ' B' ' 65' ' ' VAL . 63.3 mt -73.96 -46.78 45.09 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-N 115.256 -0.883 . . . . 0.0 111.735 -176.027 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 62' ' ' TYR . . . . . 0.465 ' O ' HG22 ' B' ' 66' ' ' VAL . 42.1 t80 -55.08 -48.68 73.2 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.582 -0.281 . . . . 0.0 110.952 -177.626 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 33.3 t -61.63 -32.74 72.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.961 0.41 . . . . 0.0 110.471 179.338 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -71.67 -33.3 63.59 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.865 -0.683 . . . . 0.0 111.523 -179.602 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 65' ' ' VAL . . . . . 0.494 HG13 HG12 ' B' ' 70' ' ' VAL . 64.5 t -77.7 -45.82 27.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-O 120.774 0.321 . . . . 0.0 110.998 179.349 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 66' ' ' VAL . . . . . 0.465 HG22 ' O ' ' B' ' 62' ' ' TYR . 98.6 t -61.04 -30.27 47.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 120.912 0.387 . . . . 0.0 110.749 -178.809 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.57 -18.31 51.89 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 116.119 -0.491 . . . . 0.0 112.104 177.362 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 23.7 m -74.55 -19.17 60.44 Favored 'General case' 0 N--CA 1.448 -0.547 0 N-CA-C 112.057 0.391 . . . . 0.0 112.057 179.261 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 90.08 17.16 54.47 Favored Glycine 0 C--N 1.33 0.204 0 C-N-CA 120.586 -0.816 . . . . 0.0 111.473 -175.203 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . 0.494 HG12 HG13 ' B' ' 65' ' ' VAL . 13.1 p -70.58 163.31 3.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 115.233 -0.483 . . . . 0.0 110.413 179.249 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 42.6 t -60.21 138.72 57.87 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 173.746 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 24.4 t -57.97 -43.24 86.36 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.021 0.439 . . . . 0.0 110.999 -175.77 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -77.11 -28.45 54.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.468 -177.033 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -74.31 -32.47 62.87 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 176.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.35 -35.96 78.88 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.811 176.581 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -54.29 -50.72 66.66 Favored 'General case' 0 CA--C 1.519 -0.243 0 O-C-N 123.504 0.503 . . . . 0.0 109.682 176.417 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 77' ' ' ILE . . . . . 0.581 ' O ' ' HG ' ' B' ' 81' ' ' LEU . 36.3 mm -63.9 -53.91 38.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.9 -178.285 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 78' ' ' GLN . . . . . . . . . . . . . 41.3 tp60 -53.08 -49.4 66.48 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-O 120.906 0.384 . . . . 0.0 110.915 179.23 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.88 -42.24 97.54 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.904 -178.471 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 80' ' ' LEU . . . . . 0.652 ' O ' HD22 ' B' ' 84' ' ' LEU . 2.1 mm? -62.05 -45.74 92.21 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.784 177.198 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . 0.581 ' HG ' ' O ' ' B' ' 77' ' ' ILE . 24.6 mt -67.55 -38.23 83.85 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 120.503 0.192 . . . . 0.0 111.387 -176.237 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 82' ' ' GLU . . . . . 0.53 ' OE1' ' HD2' ' B' ' 38' ' ' ARG . 43.3 mt-10 -59.82 -40.61 89.0 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.068 0.461 . . . . 0.0 110.081 172.21 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 83' ' ' LEU . . . . . 0.483 HD21 HG12 ' B' ' 58' ' ' ILE . 39.2 tp -63.15 -46.31 87.81 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 175.684 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 84' ' ' LEU . . . . . 0.652 HD22 ' O ' ' B' ' 80' ' ' LEU . 4.0 mm? -62.17 -12.29 19.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.552 -179.029 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 85' ' ' SER . . . . . 0.452 ' OG ' HG12 ' A' ' 111' ' ' VAL . 23.3 m -92.86 -29.03 16.15 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 120.84 0.353 . . . . 0.0 110.661 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -73.26 -43.78 60.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.479 0.657 . . . . 0.0 110.488 -177.008 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 87' ' ' LEU . . . . . 0.455 HD11 ' N ' ' B' ' 88' ' ' VAL . 1.4 pp -80.86 -18.72 46.4 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.335 -0.848 . . . . 0.0 113.161 -171.342 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 88' ' ' VAL . . . . . 0.455 ' N ' HD11 ' B' ' 87' ' ' LEU . 16.6 m -89.83 -26.88 5.25 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.261 0 C-N-CA 120.151 -0.62 . . . . 0.0 110.561 176.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 89' ' ' HIS . . . . . . . . . . . . . 71.4 t60 -65.41 -38.55 90.3 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.013 178.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 90' ' ' VAL . . . . . . . . . . . . . 33.2 m -64.61 -26.46 40.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.538 -175.132 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -66.3 -22.04 66.28 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.09 179.519 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 34.7 t -66.19 -20.42 66.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.771 0.319 . . . . 0.0 110.973 -179.104 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 49.9 m -128.19 15.59 6.72 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-O 121.475 0.655 . . . . 0.0 110.565 177.613 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -106.72 102.28 11.67 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.384 177.791 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 13.3 t -77.44 82.82 3.88 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.219 0.533 . . . . 0.0 109.584 179.647 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 96' ' ' ILE . . . . . 0.457 HD13 ' HB3' ' A' ' 47' ' ' ALA . 15.3 tt -64.87 146.31 13.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 115.547 -0.751 . . . . 0.0 111.14 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 97' ' ' GLY . . . . . . . . . . . . . . . -89.34 -102.46 1.06 Allowed Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 120.546 -0.835 . . . . 0.0 111.314 176.814 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 98' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -131.05 135.21 47.36 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 110.121 -0.326 . . . . 0.0 110.121 175.698 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 99' ' ' VAL . . . . . 0.513 HG12 ' HB2' ' A' ' 93' ' ' SER . 8.1 m -114.72 131.34 67.16 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.53 178.398 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 100' ' ' SER . . . . . . . . . . . . . 42.7 m -100.04 156.42 17.18 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.281 -179.676 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 17.7 m -79.38 23.98 0.37 Allowed 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.011 0.434 . . . . 0.0 112.039 -175.313 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 5.3 p -114.93 124.81 71.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-O 121.175 0.512 . . . . 0.0 110.574 -176.463 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . 114.3 -15.67 20.27 Favored Glycine 0 N--CA 1.45 -0.43 0 CA-C-N 115.617 -0.719 . . . . 0.0 112.356 177.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 104' ' ' VAL . . . . . 0.404 ' O ' HD11 ' B' ' 108' ' ' LEU . 38.4 t -60.85 -31.79 50.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 N-CA-C 110.087 -0.338 . . . . 0.0 110.087 178.294 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -51.01 -40.7 58.81 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.122 176.551 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 20.0 m -84.35 -36.08 22.77 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.537 -0.756 . . . . 0.0 111.56 -178.134 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 25.9 m -61.66 -32.53 72.71 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.198 0.523 . . . . 0.0 110.505 178.653 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 108' ' ' LEU . . . . . 0.638 ' O ' HG11 ' B' ' 111' ' ' VAL . 4.1 mt -61.18 -38.15 85.47 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.208 176.419 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 109' ' ' ASN . . . . . . . . . . . . . 20.0 m-80 -64.09 -22.88 67.11 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.987 0.422 . . . . 0.0 111.12 178.667 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 110' ' ' VAL . . . . . . . . . . . . . 40.0 t -84.16 -38.26 13.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.616 -179.313 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 111' ' ' VAL . . . . . 0.638 HG11 ' O ' ' B' ' 108' ' ' LEU . 8.0 p -66.52 -28.32 42.98 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.183 0 CA-C-O 121.321 0.581 . . . . 0.0 110.25 -179.384 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 112' ' ' GLN . . . . . 0.549 ' HG3' ' O ' ' B' ' 108' ' ' LEU . 24.9 mt-30 -70.29 -24.6 63.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.652 179.33 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 113' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -82.87 -29.02 29.66 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.227 -0.897 . . . . 0.0 110.635 -173.274 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 12.1 p -88.46 -41.82 12.52 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.749 -0.659 . . . . 0.0 112.234 -173.678 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 115' ' ' VAL . . . . . 0.494 HG12 ' O ' ' B' ' 111' ' ' VAL . 11.1 p -104.9 -19.97 6.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 120.932 0.396 . . . . 0.0 111.151 -173.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 116' ' ' GLY . . . . . . . . . . . . . . . -63.22 -18.72 60.9 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 121.193 -0.527 . . . . 0.0 112.838 -176.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -93.83 4.12 54.4 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.709 0.29 . . . . 0.0 111.209 179.793 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 118' ' ' TYR . . . . . . . . . . . . . 82.1 m-85 -116.11 -29.43 6.29 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.919 0.39 . . . . 0.0 110.406 177.774 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 119' ' ' VAL . . . . . 0.468 ' O ' ' HB3' ' A' ' 22' ' ' SER . 35.9 m -88.86 -0.58 8.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.866 176.875 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.51 -1.161 . . . . 0.0 111.409 178.791 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.463 ' HB3' ' O ' ' B' ' 119' ' ' VAL . 21.3 m . . . . . 0 N--CA 1.446 -0.661 0 CA-C-O 120.719 0.295 . . . . 0.0 110.857 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -146.97 127.61 14.22 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 116.089 -0.505 . . . . 0.0 109.786 179.048 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -86.81 -15.3 39.65 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.686 -176.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.462 ' HA2' HD22 ' A' ' 28' ' ' ASN . . . -66.62 -31.68 79.28 Favored Glycine 0 CA--C 1.509 -0.297 0 C-N-CA 121.008 -0.615 . . . . 0.0 112.37 -178.877 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.471 ' HB1' ' HB2' ' A' ' 78' ' ' GLN . . . -71.76 -11.27 60.74 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.108 0.48 . . . . 0.0 110.583 179.35 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.1 t -98.1 -47.43 12.42 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.46 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.119 -172.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . 0.462 HD22 ' HA2' ' A' ' 25' ' ' GLY . 7.2 p30 -77.75 2.72 16.1 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 120.212 -0.595 . . . . 0.0 111.655 -175.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 78.9 ttt180 -90.04 -12.92 37.11 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.537 0.684 . . . . 0.0 110.081 175.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.511 ' HB3' HD12 ' B' ' 108' ' ' LEU . 69.4 mt -70.95 -24.1 62.36 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.714 -174.594 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 23.2 t -72.73 -8.43 55.34 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.223 0.535 . . . . 0.0 110.274 -178.751 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 46.4 m -82.63 159.95 22.58 Favored 'General case' 0 N--CA 1.443 -0.797 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.05 176.54 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.74 -18.92 61.65 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 111.873 0.323 . . . . 0.0 111.873 -178.175 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -52.35 -59.23 4.66 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.082 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.672 ' O ' HG22 ' A' ' 39' ' ' VAL . . . -60.67 -57.17 13.83 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.592 179.104 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.96 -32.73 21.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 112.025 -175.774 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 22.3 t -73.93 -20.63 60.32 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.513 -178.731 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.536 ' HD2' ' OE1' ' A' ' 82' ' ' GLU . 56.2 mtt180 -100.82 -45.05 5.58 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.646 0.736 . . . . 0.0 109.469 -179.22 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.672 HG22 ' O ' ' A' ' 35' ' ' ALA . 28.1 t -58.95 -45.05 92.24 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 114.481 -1.236 . . . . 0.0 110.965 -177.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.466 ' HB2' ' CB ' ' B' ' 101' ' ' SER . 92.6 p -72.82 -13.19 61.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.874 0.369 . . . . 0.0 111.341 -177.675 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 12.3 t -89.72 -6.94 55.57 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.004 0.43 . . . . 0.0 110.255 -178.049 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 39.0 m-80 -122.41 -2.31 9.01 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.539 -176.557 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.49 HG13 ' N ' ' A' ' 44' ' ' ALA . 5.0 pt -60.43 -39.73 81.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.074 178.734 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.49 ' N ' HG13 ' A' ' 43' ' ' ILE . . . -80.05 -8.17 59.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.041 0.448 . . . . 0.0 111.008 -177.482 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -87.13 -50.51 6.57 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.123 179.263 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.405 ' HA ' ' CB ' ' A' ' 53' ' ' ALA . 39.0 mt -66.23 -34.21 68.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.361 179.582 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.42 ' HB1' HD11 ' B' ' 96' ' ' ILE . . . -62.5 -18.73 62.55 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.976 -0.557 . . . . 0.0 111.595 178.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 36.1 t -93.83 -46.97 6.96 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.157 -177.704 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -94.33 -22.79 23.73 Favored Glycine 0 CA--C 1.517 0.204 0 C-N-CA 120.26 -0.971 . . . . 0.0 113.427 -174.302 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 75.2 -75.16 1.37 Allowed Glycine 0 N--CA 1.45 -0.393 0 N-CA-C 111.534 -0.626 . . . . 0.0 111.534 -177.445 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -115.76 -27.51 7.02 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.189 0.519 . . . . 0.0 110.294 179.382 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 6.7 m -69.36 -12.7 61.89 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.665 -179.309 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.405 ' CB ' ' HA ' ' A' ' 46' ' ' ILE . . . -89.27 -15.43 33.54 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.72 -178.443 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 65.3 mt -57.95 -56.16 37.58 Favored Pre-proline 0 CA--C 1.539 0.525 0 CA-C-N 116.146 -0.479 . . . . 0.0 112.071 -177.668 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 30.6 Cg_endo -67.29 -5.29 13.49 Favored 'Trans proline' 0 C--N 1.355 0.879 0 C-N-CA 122.195 1.93 . . . . 0.0 112.813 -178.373 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 10.9 m -98.92 -47.55 5.22 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.312 0.577 . . . . 0.0 110.015 175.728 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 78.3 t -77.43 -40.91 29.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.925 -172.525 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.47 HG12 ' HG ' ' A' ' 83' ' ' LEU . 54.8 mt -58.13 -43.01 84.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.099 176.851 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 69.6 m -72.13 -25.28 61.66 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.329 -0.85 . . . . 0.0 110.853 -178.252 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 -70.69 -52.86 18.27 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.044 0.45 . . . . 0.0 110.451 175.391 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 63.8 mt -70.41 -43.71 77.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.811 -175.567 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.433 ' O ' HG21 ' A' ' 66' ' ' VAL . 69.0 t80 -54.47 -48.01 72.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.168 -178.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 43.9 t -57.52 -36.79 72.03 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.134 0.492 . . . . 0.0 110.432 178.464 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -70.11 -36.36 71.92 Favored Glycine 0 N--CA 1.45 -0.426 0 CA-C-N 115.551 -0.75 . . . . 0.0 111.919 -177.059 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.433 HG12 HG13 ' A' ' 70' ' ' VAL . 66.0 t -74.46 -44.48 47.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 115.611 -0.294 . . . . 0.0 110.874 -179.872 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.433 HG21 ' O ' ' A' ' 62' ' ' TYR . 91.9 t -61.72 -42.57 94.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.36 -177.848 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -69.63 -3.81 16.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.811 -179.354 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 35.5 t -85.54 -11.91 52.95 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.11 179.783 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 90.54 36.64 6.84 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.284 -0.96 . . . . 0.0 112.143 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.433 HG13 HG12 ' A' ' 65' ' ' VAL . 14.5 p -94.01 161.39 2.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 176.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 45.3 t -61.97 147.84 45.71 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.711 0.291 . . . . 0.0 110.292 176.821 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 6.7 m -53.98 -57.84 9.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.014 -0.539 . . . . 0.0 112.258 -173.311 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -76.67 -26.96 55.37 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.079 0.466 . . . . 0.0 110.258 -174.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -70.86 -28.79 64.84 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.261 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.1 -39.87 87.66 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.681 -0.69 . . . . 0.0 111.393 177.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -54.28 -48.35 71.32 Favored 'General case' 0 CA--C 1.519 -0.233 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 177.815 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.705 ' O ' ' HG ' ' A' ' 81' ' ' LEU . 30.6 mm -63.61 -56.03 19.31 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 CA-C-N 115.343 -0.844 . . . . 0.0 111.313 -176.899 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . 0.471 ' HB2' ' HB1' ' A' ' 26' ' ' ALA . 52.0 tt0 -55.69 -48.71 74.64 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-O 120.895 0.379 . . . . 0.0 110.918 -178.833 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.46 -37.98 82.72 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.158 -179.282 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.519 ' O ' HD23 ' A' ' 84' ' ' LEU . 2.6 mm? -68.13 -35.05 77.49 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-O 120.697 0.284 . . . . 0.0 111.016 175.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.705 ' HG ' ' O ' ' A' ' 77' ' ' ILE . 65.7 mt -69.06 -37.2 78.4 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.058 0.456 . . . . 0.0 110.452 179.139 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.536 ' OE1' ' HD2' ' A' ' 38' ' ' ARG . 55.8 mt-10 -73.69 -17.28 61.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.293 0.568 . . . . 0.0 110.58 175.422 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.47 ' HG ' HG12 ' A' ' 58' ' ' ILE . 3.4 tm? -84.63 -43.09 14.74 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.993 -0.548 . . . . 0.0 109.73 176.338 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.519 HD23 ' O ' ' A' ' 80' ' ' LEU . 3.7 mm? -69.69 -3.63 16.07 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.517 -0.765 . . . . 0.0 112.334 -176.653 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.446 ' CB ' HD11 ' B' ' 108' ' ' LEU . 0.9 OUTLIER -101.61 -32.08 10.52 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 120.759 0.314 . . . . 0.0 111.189 -179.768 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -66.69 -44.7 81.02 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.265 0.555 . . . . 0.0 110.96 -177.618 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.481 HD11 ' N ' ' A' ' 88' ' ' VAL . 1.0 OUTLIER -78.95 -21.05 47.77 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.605 -0.725 . . . . 0.0 112.76 -173.097 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.481 ' N ' HD11 ' A' ' 87' ' ' LEU . 17.2 m -87.87 -25.78 5.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 C-N-CA 120.32 -0.552 . . . . 0.0 110.634 178.367 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 69.1 t60 -69.48 -35.57 75.7 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.486 179.189 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.423 ' HB ' ' CD1' ' B' ' 96' ' ' ILE . 25.7 m -66.7 -28.92 44.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.484 -175.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.45 ' HA ' ' HB1' ' A' ' 94' ' ' ALA . 3.0 mm? -61.22 -28.52 69.21 Favored 'General case' 0 CA--C 1.52 -0.178 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.987 178.89 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 66.9 m -54.96 -33.27 62.19 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.824 -0.626 . . . . 0.0 111.588 -179.416 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 10.7 t -119.12 10.85 12.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.503 0.668 . . . . 0.0 110.003 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . 0.45 ' HB1' ' HA ' ' A' ' 91' ' ' LEU . . . -98.5 98.39 9.58 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.782 -0.645 . . . . 0.0 109.874 177.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 25.9 t -71.56 86.58 0.89 Allowed 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.918 -0.583 . . . . 0.0 109.764 178.35 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.445 HD13 ' HB3' ' B' ' 47' ' ' ALA . 15.7 tt -65.53 140.65 19.29 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.383 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.84 178.297 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -86.43 -88.83 0.99 Allowed Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.4 -179.153 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 9.5 t30 -144.87 117.18 8.46 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.725 0.298 . . . . 0.0 110.488 -179.784 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 2.8 m -106.58 161.62 5.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.704 178.344 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 36.5 m -148.91 161.9 40.94 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 -179.498 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' SER . . . . . 0.436 ' HB3' ' HB2' ' B' ' 40' ' ' SER . 16.3 m -77.18 41.14 0.29 Allowed 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.019 0.438 . . . . 0.0 111.545 -176.003 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 56.4 t -114.76 112.33 39.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.846 -175.277 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 100.26 0.12 55.87 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.753 -0.737 . . . . 0.0 113.71 175.458 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.404 ' O ' HD22 ' A' ' 108' ' ' LEU . 11.1 t -62.54 -31.23 51.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 117.253 0.527 . . . . 0.0 110.559 -179.188 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -50.05 -44.2 51.43 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-O 121.388 0.613 . . . . 0.0 110.717 177.572 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 20.0 m -74.49 -25.47 59.39 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.637 -0.71 . . . . 0.0 111.507 -178.208 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 20.5 m -70.29 -38.45 75.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.918 0.389 . . . . 0.0 110.208 -179.631 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.575 ' O ' HG13 ' A' ' 111' ' ' VAL . 4.5 mm? -58.37 -33.52 69.68 Favored 'General case' 0 C--O 1.223 -0.328 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.801 177.618 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 14.5 m-80 -71.35 -23.17 61.86 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.868 -178.756 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 38.9 t -86.56 -36.91 10.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-O 120.756 0.312 . . . . 0.0 110.762 -177.37 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.575 HG13 ' O ' ' A' ' 108' ' ' LEU . 9.4 p -63.42 -28.28 44.7 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.337 0 CA-C-O 121.423 0.63 . . . . 0.0 110.611 -178.669 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . 0.549 ' HG3' ' O ' ' A' ' 108' ' ' LEU . 22.7 mt-30 -67.5 -21.02 65.52 Favored 'General case' 0 CA--C 1.518 -0.265 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.947 -179.238 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -79.02 -39.83 32.99 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.583 -177.159 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 5.3 m -77.02 -44.94 28.98 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.131 -0.941 . . . . 0.0 111.934 -170.561 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . 0.481 HG11 HD22 ' B' ' 81' ' ' LEU . 12.8 p -106.48 -18.16 7.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 121.09 0.471 . . . . 0.0 111.376 -172.827 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -63.52 -17.0 59.37 Favored Glycine 0 CA--C 1.517 0.21 0 CA-C-N 116.078 -0.51 . . . . 0.0 113.193 -177.291 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -92.54 1.98 56.95 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.829 0.315 . . . . 0.0 111.239 179.589 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 79.6 m-85 -113.79 -36.72 4.75 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.241 0.543 . . . . 0.0 109.685 178.678 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 33.9 m . . . . . 0 C--N 1.324 -0.524 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.913 178.579 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 6.4 m . . . . . 0 N--CA 1.443 -0.809 0 N-CA-C 110.3 -0.259 . . . . 0.0 110.3 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 23' ' ' TYR . . . . . 0.529 ' CE1' ' HA ' ' B' ' 74' ' ' GLU . 0.1 OUTLIER -148.8 119.32 7.41 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.084 -0.507 . . . . 0.0 109.889 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -79.99 -11.99 59.74 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.823 179.395 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 25' ' ' GLY . . . . . 0.454 ' HA2' ' ND2' ' B' ' 28' ' ' ASN . . . -66.24 -34.25 87.54 Favored Glycine 0 CA--C 1.505 -0.575 0 N-CA-C 111.541 -0.624 . . . . 0.0 111.541 176.793 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 26' ' ' ALA . . . . . 0.405 ' HB2' ' HB2' ' B' ' 78' ' ' GLN . . . -75.43 1.61 13.55 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.037 0.446 . . . . 0.0 110.887 178.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 27' ' ' VAL . . . . . 0.466 ' O ' ' HG ' ' B' ' 30' ' ' LEU . 2.3 t -114.8 -48.93 4.98 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.494 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.9 -177.872 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 28' ' ' ASN . . . . . 0.454 ' ND2' ' HA2' ' B' ' 25' ' ' GLY . 9.1 p30 -75.46 -4.68 41.01 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.303 -0.559 . . . . 0.0 110.966 -175.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 78.9 ttt180 -91.65 -4.31 55.35 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.377 0.608 . . . . 0.0 110.034 175.778 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . 0.466 ' HG ' ' O ' ' B' ' 27' ' ' VAL . 84.6 mt -70.04 -33.71 72.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.168 -178.414 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 32.8 t -71.1 -6.18 37.3 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.64 -178.265 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 70.8 m -77.2 151.78 35.06 Favored 'General case' 0 N--CA 1.442 -0.841 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.58 176.78 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.31 -23.07 62.14 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.309 -179.265 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -49.71 -56.17 11.17 Favored 'General case' 0 CA--C 1.515 -0.384 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.031 177.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 35' ' ' ALA . . . . . 0.548 ' O ' HG22 ' B' ' 39' ' ' VAL . . . -68.37 -56.01 9.98 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.686 -178.611 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -48.38 -40.38 25.51 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 112.419 0.526 . . . . 0.0 112.419 -175.462 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 23.9 t -67.78 -28.53 67.68 Favored 'General case' 0 CA--C 1.538 0.49 0 N-CA-C 111.787 0.291 . . . . 0.0 111.787 -178.48 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 44.7 mtm105 -96.05 -39.43 9.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.285 0.564 . . . . 0.0 109.98 -176.641 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 39' ' ' VAL . . . . . 0.548 HG22 ' O ' ' B' ' 35' ' ' ALA . 67.8 t -59.77 -41.93 87.13 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-N 115.103 -0.953 . . . . 0.0 110.53 176.881 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 40' ' ' SER . . . . . 0.455 ' O ' HG12 ' B' ' 43' ' ' ILE . 93.7 p -76.71 -8.32 57.04 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.714 -177.681 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 23.1 t -93.82 -6.28 46.22 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.351 0.596 . . . . 0.0 109.788 178.503 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 39.7 m-80 -118.93 -4.05 10.67 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.869 -177.612 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 43' ' ' ILE . . . . . 0.524 HG13 ' N ' ' B' ' 44' ' ' ALA . 5.8 pt -60.32 -39.64 81.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 121.039 0.447 . . . . 0.0 110.746 176.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 44' ' ' ALA . . . . . 0.524 ' N ' HG13 ' B' ' 43' ' ' ILE . . . -82.05 -3.83 55.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.69 -176.367 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -92.16 -53.1 4.38 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.221 178.747 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 44.5 mt -63.35 -37.13 78.71 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.392 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . 0.445 ' HB3' HD13 ' A' ' 96' ' ' ILE . . . -61.02 -25.45 66.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.142 0.496 . . . . 0.0 111.642 -179.296 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 27.3 t -97.69 -7.35 31.06 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.471 -175.472 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -121.11 -32.65 1.04 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.372 -0.918 . . . . 0.0 112.899 -177.539 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 81.95 -71.29 2.98 Favored Glycine 0 N--CA 1.446 -0.687 0 N-CA-C 111.658 -0.577 . . . . 0.0 111.658 -178.221 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -126.74 -28.28 2.99 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.662 0.267 . . . . 0.0 111.199 -179.145 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 34.4 p -74.01 -7.77 53.68 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.168 0.508 . . . . 0.0 110.954 -177.616 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -88.82 -17.65 29.31 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.632 178.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 54' ' ' LEU . . . . . 0.449 ' N ' ' HD2' ' B' ' 55' ' ' PRO . 28.6 mt -56.11 -57.05 24.66 Favored Pre-proline 0 CA--C 1.534 0.346 0 CA-C-N 116.301 -0.409 . . . . 0.0 112.04 -178.008 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 55' ' ' PRO . . . . . 0.449 ' HD2' ' N ' ' B' ' 54' ' ' LEU . 20.9 Cg_endo -61.77 -16.11 46.75 Favored 'Trans proline' 0 C--N 1.35 0.645 0 C-N-CA 122.274 1.982 . . . . 0.0 112.493 -176.869 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 6.3 m -94.05 -45.23 7.67 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.498 179.23 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 68.1 t -76.89 -40.49 31.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.582 -173.774 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 58' ' ' ILE . . . . . 0.5 HG12 ' HG ' ' B' ' 83' ' ' LEU . 73.3 mt -59.1 -35.24 56.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.444 175.178 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 17.6 t -69.64 -44.02 71.44 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-N 115.501 -0.772 . . . . 0.0 109.972 -179.371 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 89.3 m-20 -58.39 -49.46 77.16 Favored 'General case' 0 CA--C 1.52 -0.21 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.672 179.635 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . 0.472 ' O ' HG23 ' B' ' 65' ' ' VAL . 63.5 mt -70.62 -48.1 60.57 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-N 115.347 -0.842 . . . . 0.0 111.606 -177.049 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 62' ' ' TYR . . . . . 0.423 ' O ' HG23 ' B' ' 66' ' ' VAL . 58.0 t80 -53.81 -51.53 63.21 Favored 'General case' 0 N--CA 1.465 0.314 0 O-C-N 123.151 0.282 . . . . 0.0 111.356 -178.387 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 10.0 t -60.34 -33.18 72.04 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.232 0.539 . . . . 0.0 110.148 -178.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -71.9 -32.12 63.96 Favored Glycine 0 N--CA 1.451 -0.33 0 CA-C-N 115.75 -0.659 . . . . 0.0 112.069 -179.255 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 65' ' ' VAL . . . . . 0.472 HG23 ' O ' ' B' ' 61' ' ' ILE . 60.6 t -78.03 -43.3 28.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-O 120.889 0.376 . . . . 0.0 110.598 179.566 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 66' ' ' VAL . . . . . 0.423 HG23 ' O ' ' B' ' 62' ' ' TYR . 92.2 t -61.58 -40.29 86.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.122 -178.449 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -66.55 -13.92 61.63 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-O 120.905 0.383 . . . . 0.0 111.828 179.515 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 34.8 t -76.72 -18.15 58.67 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.121 -178.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 94.69 39.33 4.7 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.332 -0.937 . . . . 0.0 111.953 -177.541 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . 0.464 HG13 HG11 ' B' ' 65' ' ' VAL . 14.1 p -93.54 162.46 2.4 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 176.636 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 34.7 t -64.33 141.92 58.6 Favored 'General case' 0 N--CA 1.451 -0.393 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 174.747 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 8.7 m -52.65 -45.55 66.77 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 112.562 0.579 . . . . 0.0 112.562 -173.068 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -85.09 -23.8 28.35 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.725 -0.39 . . . . 0.0 110.7 -176.451 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 74' ' ' GLU . . . . . 0.529 ' HA ' ' CE1' ' B' ' 23' ' ' TYR . 39.9 tt0 -71.92 -29.89 64.78 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-O 121.181 0.515 . . . . 0.0 109.772 178.261 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -57.51 -38.06 74.02 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-N 115.348 -0.842 . . . . 0.0 111.397 177.331 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 76' ' ' LEU . . . . . 0.442 HD22 ' HB3' ' B' ' 118' ' ' TYR . 2.6 tm? -55.88 -51.4 67.71 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.045 0.45 . . . . 0.0 109.827 179.617 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 77' ' ' ILE . . . . . 0.628 ' O ' ' HG ' ' B' ' 81' ' ' LEU . 35.5 mm -62.19 -52.7 57.14 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 115.562 -0.745 . . . . 0.0 111.099 -176.197 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 78' ' ' GLN . . . . . 0.405 ' HB2' ' HB2' ' B' ' 26' ' ' ALA . 29.9 tt0 -57.95 -47.99 81.26 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 121.017 -0.273 . . . . 0.0 110.648 179.68 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -59.19 -41.46 88.55 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.914 0.388 . . . . 0.0 110.903 -178.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 80' ' ' LEU . . . . . 0.683 ' O ' ' HG ' ' B' ' 84' ' ' LEU . 3.6 mm? -67.18 -43.52 81.97 Favored 'General case' 0 C--O 1.22 -0.451 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.249 178.273 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . 0.628 ' HG ' ' O ' ' B' ' 77' ' ' ILE . 13.3 mt -66.23 -41.74 89.64 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.926 0.393 . . . . 0.0 111.261 -176.717 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 91.6 mt-10 -63.43 -37.0 85.59 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.403 0.621 . . . . 0.0 109.882 174.427 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 83' ' ' LEU . . . . . 0.5 ' HG ' HG12 ' B' ' 58' ' ' ILE . 3.4 tm? -62.31 -44.46 96.47 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.121 175.888 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 84' ' ' LEU . . . . . 0.683 ' HG ' ' O ' ' B' ' 80' ' ' LEU . 14.0 mt -63.1 -17.92 62.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.852 -178.087 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 27.8 m -89.38 -30.39 18.41 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 120.788 0.327 . . . . 0.0 110.75 -175.47 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -68.59 -42.91 77.55 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.311 0.576 . . . . 0.0 110.558 -177.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 87' ' ' LEU . . . . . 0.544 HD12 ' N ' ' B' ' 88' ' ' VAL . 1.8 pp -81.2 -25.46 36.73 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 112.885 0.698 . . . . 0.0 112.885 -172.126 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 88' ' ' VAL . . . . . 0.544 ' N ' HD12 ' B' ' 87' ' ' LEU . 17.8 m -83.7 -22.16 8.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 C-N-CA 120.243 -0.583 . . . . 0.0 110.509 176.672 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 89' ' ' HIS . . . . . . . . . . . . . 72.1 t60 -68.71 -39.72 80.31 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.202 178.299 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 90' ' ' VAL . . . . . 0.543 HG22 ' O ' ' B' ' 87' ' ' LEU . 17.7 m -62.51 -26.57 40.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.533 -175.872 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 91' ' ' LEU . . . . . 0.456 ' HA ' ' HB1' ' B' ' 94' ' ' ALA . 3.0 mm? -63.11 -23.38 67.42 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.239 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 27.9 t -58.19 -31.24 67.11 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.884 178.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 63.9 m -125.53 20.6 7.92 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-O 121.159 0.504 . . . . 0.0 110.698 179.027 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 94' ' ' ALA . . . . . 0.456 ' HB1' ' HA ' ' B' ' 91' ' ' LEU . . . -110.62 99.38 8.35 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.407 177.546 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 8.6 t -76.57 85.43 3.25 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.202 -0.454 . . . . 0.0 109.92 179.549 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 96' ' ' ILE . . . . . 0.423 ' CD1' ' HB ' ' A' ' 90' ' ' VAL . 15.2 tt -65.48 137.67 24.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.876 179.268 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 97' ' ' GLY . . . . . . . . . . . . . . . -84.34 -88.01 0.85 Allowed Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.535 -0.841 . . . . 0.0 112.463 -177.81 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 98' ' ' ASN . . . . . . . . . . . . . 9.3 t30 -151.35 113.69 4.58 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.79 0.329 . . . . 0.0 110.648 -178.316 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 99' ' ' VAL . . . . . . . . . . . . . 7.2 m -102.69 140.43 21.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.556 -177.338 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 100' ' ' SER . . . . . . . . . . . . . 25.0 m -110.1 161.16 15.82 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.259 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 101' ' ' SER . . . . . 0.466 ' CB ' ' HB2' ' A' ' 40' ' ' SER . 3.4 p -82.59 6.56 17.26 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.128 0.489 . . . . 0.0 111.68 -177.606 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 54.8 t -92.11 113.9 28.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.696 -179.082 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . 114.82 -6.68 22.13 Favored Glycine 0 N--CA 1.448 -0.519 0 CA-C-N 115.662 -0.699 . . . . 0.0 112.661 174.642 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 104' ' ' VAL . . . . . . . . . . . . . 23.5 t -64.25 -32.87 59.23 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.152 0 N-CA-C 110.068 -0.345 . . . . 0.0 110.068 178.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -49.14 -41.68 36.97 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.945 179.316 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 14.9 m -75.33 -27.84 59.39 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.463 -178.44 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 24.7 m -73.46 -29.43 62.53 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.993 0.425 . . . . 0.0 110.22 -175.693 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 108' ' ' LEU . . . . . 0.669 ' O ' HG13 ' B' ' 111' ' ' VAL . 4.1 mm? -59.98 -39.81 87.0 Favored 'General case' 0 C--O 1.223 -0.32 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.522 175.421 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 109' ' ' ASN . . . . . . . . . . . . . 12.7 m-80 -65.1 -25.32 67.73 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.376 -178.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 110' ' ' VAL . . . . . . . . . . . . . 25.9 t -84.83 -36.05 10.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.912 0.387 . . . . 0.0 110.978 -178.191 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 111' ' ' VAL . . . . . 0.669 HG13 ' O ' ' B' ' 108' ' ' LEU . 10.0 p -65.12 -30.37 50.11 Favored 'Isoleucine or valine' 0 C--O 1.234 0.269 0 CA-C-O 121.255 0.55 . . . . 0.0 109.902 178.797 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 112' ' ' GLN . . . . . 0.615 ' HG3' ' O ' ' B' ' 108' ' ' LEU . 24.3 mt-30 -65.24 -28.51 69.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.428 -0.806 . . . . 0.0 110.534 178.653 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 113' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -82.66 -29.9 29.67 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.554 -176.152 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 114' ' ' SER . . . . . 0.444 ' OG ' ' HD3' ' B' ' 55' ' ' PRO . 13.3 m -78.73 -47.64 16.46 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.146 -0.933 . . . . 0.0 111.54 -173.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 115' ' ' VAL . . . . . 0.423 HG12 ' O ' ' B' ' 111' ' ' VAL . 11.7 p -109.3 -17.2 8.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 121.082 0.468 . . . . 0.0 111.309 -173.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 116' ' ' GLY . . . . . . . . . . . . . . . -59.38 -25.61 60.71 Favored Glycine 0 C--O 1.229 -0.186 0 CA-C-N 116.034 -0.53 . . . . 0.0 112.905 -178.732 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -88.7 5.8 41.55 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.556 0.217 . . . . 0.0 111.517 -179.018 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 118' ' ' TYR . . . . . 0.442 ' HB3' HD22 ' B' ' 76' ' ' LEU . 65.2 m-85 -117.62 -27.08 6.39 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.12 0.486 . . . . 0.0 109.827 177.201 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 119' ' ' VAL . . . . . 0.463 ' O ' ' HB3' ' A' ' 22' ' ' SER . 31.0 m -87.8 0.15 7.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.067 173.127 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.23 0 CA-C-O 118.199 -1.334 . . . . 0.0 110.879 175.711 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 34.8 m . . . . . 0 N--CA 1.446 -0.671 0 N-CA-C 110.083 -0.34 . . . . 0.0 110.083 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.667 ' CE1' ' HA ' ' A' ' 74' ' ' GLU . 0.0 OUTLIER -156.73 120.71 4.33 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.032 -177.434 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.85 -22.62 49.62 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.368 -179.741 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.0 -32.71 83.14 Favored Glycine 0 N--CA 1.453 -0.225 0 C-N-CA 120.959 -0.639 . . . . 0.0 111.916 -178.616 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.439 ' HB2' ' HB2' ' A' ' 78' ' ' GLN . . . -69.19 -15.56 63.42 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.11 0.481 . . . . 0.0 110.418 179.381 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.9 t -93.94 -42.83 13.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.431 -178.208 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 51.6 m-80 -64.39 -34.5 78.32 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 121.045 0.45 . . . . 0.0 110.881 -177.044 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 71.1 ttt180 -63.33 -19.15 64.37 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.416 -178.097 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.484 ' HB3' HD13 ' B' ' 108' ' ' LEU . 89.5 mt -61.92 -30.32 70.82 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.965 -176.688 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 28.3 p -78.96 5.42 11.67 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.01 0.433 . . . . 0.0 111.528 -176.1 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 50.2 m -95.04 160.48 14.55 Favored 'General case' 0 N--CA 1.441 -0.904 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 174.559 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.65 -17.0 53.62 Favored 'General case' 0 N--CA 1.466 0.363 0 N-CA-C 112.586 0.587 . . . . 0.0 112.586 -175.259 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -56.74 -61.09 2.67 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.592 -0.276 . . . . 0.0 111.132 -179.354 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.665 ' O ' HG23 ' A' ' 39' ' ' VAL . . . -56.6 -59.98 4.21 Favored 'General case' 0 CA--C 1.515 -0.389 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.772 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -47.07 -34.91 6.33 Favored 'General case' 0 C--N 1.33 -0.243 0 O-C-N 123.543 0.527 . . . . 0.0 112.252 -175.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 9.6 t -67.8 -32.75 73.52 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.484 -178.379 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 84.6 mtt-85 -95.08 -36.42 11.52 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.382 0.611 . . . . 0.0 109.817 -177.006 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.665 HG23 ' O ' ' A' ' 35' ' ' ALA . 41.5 t -61.14 -46.08 97.32 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-N 115.227 -0.897 . . . . 0.0 110.664 178.844 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 80.8 p -74.67 -6.17 47.26 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.541 -178.481 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 38.0 t -92.41 -11.23 35.41 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.589 179.322 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 42.9 m-80 -118.67 0.36 11.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.967 0.413 . . . . 0.0 111.064 -176.533 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.442 HG13 ' N ' ' A' ' 44' ' ' ALA . 4.6 pt -61.35 -40.32 85.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.022 177.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.442 ' N ' HG13 ' A' ' 43' ' ' ILE . . . -81.1 -3.96 53.73 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.086 0.47 . . . . 0.0 111.032 -178.139 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -86.72 -52.5 5.48 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.28 0.562 . . . . 0.0 109.673 176.635 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 50.4 mt -65.04 -36.03 76.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.632 179.806 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.449 ' HB2' HD12 ' B' ' 96' ' ' ILE . . . -64.87 -14.05 58.33 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.729 -178.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 29.8 t -103.66 -28.04 11.93 Favored 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 121.027 -0.269 . . . . 0.0 111.469 -178.191 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -109.49 -21.77 7.07 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.33 -0.938 . . . . 0.0 113.359 -175.619 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 74.86 -80.45 0.93 Allowed Glycine 0 N--CA 1.447 -0.588 0 N-CA-C 111.204 -0.758 . . . . 0.0 111.204 -178.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -114.08 -23.21 9.64 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-O 121.203 0.525 . . . . 0.0 110.177 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 8.9 t -78.84 3.04 17.97 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.502 -176.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.407 ' O ' HG23 ' A' ' 57' ' ' VAL . . . -101.63 -20.15 15.15 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.184 177.359 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.418 ' N ' ' HD2' ' A' ' 55' ' ' PRO . 54.9 mt -52.54 -57.97 13.62 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 115.679 -0.692 . . . . 0.0 111.978 -175.713 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.418 ' HD2' ' N ' ' A' ' 54' ' ' LEU . 18.1 Cg_endo -61.37 -23.73 77.36 Favored 'Trans proline' 0 C--N 1.353 0.784 0 C-N-CA 122.075 1.85 . . . . 0.0 112.419 -176.558 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 20.8 m -87.41 -38.15 16.4 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.901 -178.446 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.407 HG23 ' O ' ' A' ' 53' ' ' ALA . 78.4 t -77.99 -40.48 26.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.034 -175.743 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.46 HG12 HD23 ' A' ' 83' ' ' LEU . 69.8 mt -56.68 -42.73 77.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.114 174.41 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 32.9 t -67.89 -37.73 82.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.427 -178.345 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 86.8 m-20 -58.12 -55.79 30.39 Favored 'General case' 0 CA--C 1.516 -0.346 0 CA-C-O 121.347 0.594 . . . . 0.0 110.237 177.609 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.49 ' O ' HG21 ' A' ' 65' ' ' VAL . 57.7 mt -69.44 -47.24 73.65 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-N 115.178 -0.919 . . . . 0.0 111.554 -176.197 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.461 ' O ' HG21 ' A' ' 66' ' ' VAL . 53.7 t80 -51.83 -59.56 4.17 Favored 'General case' 0 N--CA 1.466 0.354 0 O-C-N 123.061 0.225 . . . . 0.0 111.393 -177.402 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 17.9 t -62.34 -26.77 68.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.093 0.473 . . . . 0.0 110.739 -177.026 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -71.25 -45.43 48.71 Favored Glycine 0 N--CA 1.447 -0.594 0 C-N-CA 120.868 -0.682 . . . . 0.0 111.543 177.185 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.49 HG21 ' O ' ' A' ' 61' ' ' ILE . 58.7 t -68.72 -41.14 82.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.686 -0.257 . . . . 0.0 111.09 -179.736 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.461 HG21 ' O ' ' A' ' 62' ' ' TYR . 84.3 t -59.07 -43.81 90.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.979 0.419 . . . . 0.0 110.339 178.784 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -75.24 -0.27 18.94 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.302 179.364 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.434 ' HB3' ' O ' ' A' ' 65' ' ' VAL . 48.2 t -90.43 -11.57 40.04 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.76 178.263 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 104.81 21.33 9.17 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.104 -1.046 . . . . 0.0 113.342 177.633 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.403 ' CG1' HG13 ' A' ' 65' ' ' VAL . 7.3 p -86.95 163.94 2.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 177.218 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 9.0 t -70.79 153.92 42.32 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 174.521 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 8.4 p -57.37 -62.44 1.77 Allowed 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 112.678 0.621 . . . . 0.0 112.678 -171.386 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -71.76 -28.44 63.65 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.048 0.451 . . . . 0.0 110.369 -176.734 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.667 ' HA ' ' CE1' ' A' ' 23' ' ' TYR . 39.1 tt0 -64.53 -28.83 69.91 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.257 179.506 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -63.02 -32.45 73.82 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.339 -0.846 . . . . 0.0 111.423 177.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -58.29 -48.66 79.78 Favored 'General case' 0 CA--C 1.518 -0.276 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 179.157 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.716 ' O ' ' HG ' ' A' ' 81' ' ' LEU . 30.8 mm -62.77 -55.71 22.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.92 -178.897 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . 0.439 ' HB2' ' HB2' ' A' ' 26' ' ' ALA . 9.2 tt0 -56.96 -48.07 79.22 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 121.072 -0.251 . . . . 0.0 111.465 179.314 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.16 -38.01 81.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.704 0.288 . . . . 0.0 111.04 -178.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.715 ' O ' ' HG ' ' A' ' 84' ' ' LEU . 10.0 mt -69.11 -44.26 72.79 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.894 176.584 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.716 ' HG ' ' O ' ' A' ' 77' ' ' ILE . 61.2 mt -61.4 -37.83 84.86 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.84 0.353 . . . . 0.0 110.849 179.712 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -68.69 -25.7 64.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.937 175.207 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.461 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 26.3 tp -77.64 -40.86 40.4 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.038 0.447 . . . . 0.0 110.256 175.746 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.715 ' HG ' ' O ' ' A' ' 80' ' ' LEU . 15.7 mt -63.44 -16.23 59.99 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.383 -0.826 . . . . 0.0 111.366 -176.177 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.4 p -96.83 -23.59 16.3 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.706 0.289 . . . . 0.0 111.372 -176.701 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -74.75 -45.42 44.05 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.423 0.63 . . . . 0.0 110.371 -179.607 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.487 HD13 ' N ' ' A' ' 88' ' ' VAL . 1.3 pp -77.47 -22.13 51.82 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.384 -0.826 . . . . 0.0 112.66 -172.673 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.487 ' N ' HD13 ' A' ' 87' ' ' LEU . 14.4 m -85.69 -22.78 7.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 C-N-CA 120.26 -0.576 . . . . 0.0 110.817 177.873 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 72.6 t60 -71.34 -37.69 71.69 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.178 178.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.44 HG23 ' O ' ' A' ' 87' ' ' LEU . 22.5 m -65.17 -26.71 40.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.484 -174.885 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.43 ' HA ' ' HB1' ' A' ' 94' ' ' ALA . 3.9 mm? -65.99 -21.07 66.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.566 -0.288 . . . . 0.0 111.409 179.026 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 32.4 t -66.55 -26.69 67.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.947 0.403 . . . . 0.0 110.572 179.2 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' SER . . . . . 0.483 ' HB2' HG12 ' B' ' 99' ' ' VAL . 61.1 m -108.89 -17.61 13.88 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.677 0.751 . . . . 0.0 110.131 -179.224 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . 0.43 ' HB1' ' HA ' ' A' ' 91' ' ' LEU . . . -83.91 100.24 10.88 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.09 -0.959 . . . . 0.0 111.182 179.828 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 9.2 t -80.52 91.4 5.77 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 177.506 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.44 HD11 ' CG1' ' A' ' 99' ' ' VAL . 9.2 tt -64.68 147.55 12.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.419 -0.81 . . . . 0.0 112.248 -178.246 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -89.75 -89.72 1.25 Allowed Glycine 0 N--CA 1.45 -0.41 0 CA-C-N 115.895 -0.593 . . . . 0.0 112.29 176.055 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 8.5 t30 -147.61 108.51 4.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.955 0.377 . . . . 0.0 111.125 -178.336 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.44 ' CG1' HD11 ' A' ' 96' ' ' ILE . 3.2 m -91.61 147.34 5.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.286 179.551 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 57.7 m -117.45 158.33 24.69 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.447 -179.739 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 4.2 p -76.4 -10.95 59.78 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.231 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 23.8 t -81.74 109.21 15.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.956 -176.488 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 123.15 -15.78 8.2 Favored Glycine 0 N--CA 1.448 -0.524 0 CA-C-N 115.606 -0.724 . . . . 0.0 112.819 174.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 37.0 t -58.27 -33.31 46.95 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.194 0 CA-C-O 120.876 0.37 . . . . 0.0 110.112 179.271 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -49.0 -45.24 42.08 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.313 -0.858 . . . . 0.0 111.156 179.573 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 35.4 t -73.88 -26.06 60.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.784 -179.349 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 14.1 m -71.42 -30.25 65.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.271 0.557 . . . . 0.0 109.544 -178.091 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.55 HD11 ' HB3' ' B' ' 30' ' ' LEU . 4.1 mm? -62.79 -32.06 73.16 Favored 'General case' 0 C--O 1.223 -0.308 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.832 175.542 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . 0.486 ' N ' HD21 ' A' ' 109' ' ' ASN . 0.9 OUTLIER -71.12 -29.84 65.76 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.945 0.403 . . . . 0.0 110.28 -178.07 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 23.2 t -80.92 -39.08 17.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.965 -176.364 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.548 HG12 ' O ' ' A' ' 108' ' ' LEU . 9.8 p -60.81 -29.49 45.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 121.175 0.512 . . . . 0.0 110.639 -178.3 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . 0.51 ' HG3' ' O ' ' A' ' 108' ' ' LEU . 26.0 mt-30 -65.38 -35.55 81.31 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.622 -179.463 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -66.07 -36.34 82.94 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.164 -0.926 . . . . 0.0 110.812 -175.57 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 4.0 m -78.39 -34.54 48.06 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.225 -0.898 . . . . 0.0 112.515 -170.625 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . 0.466 HG12 HD23 ' B' ' 81' ' ' LEU . 14.9 p -113.35 -23.88 4.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 N-CA-C 112.344 0.498 . . . . 0.0 112.344 -170.037 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -56.15 -30.41 57.72 Favored Glycine 0 C--N 1.332 0.361 0 C-N-CA 121.386 -0.435 . . . . 0.0 113.407 -175.419 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.33 -5.28 54.17 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 111.971 0.36 . . . . 0.0 111.971 -176.577 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 80.5 m-85 -108.78 -33.52 6.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.772 0.32 . . . . 0.0 110.848 178.697 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . 0.4 ' O ' ' HB3' ' B' ' 22' ' ' SER . 29.6 m . . . . . 0 C--N 1.327 -0.41 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.374 -179.44 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 22' ' ' SER . . . . . 0.4 ' HB3' ' O ' ' A' ' 119' ' ' VAL . 15.1 m . . . . . 0 N--CA 1.452 -0.369 0 CA-C-O 120.927 0.394 . . . . 0.0 111.639 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -151.71 130.0 12.02 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.859 -0.61 . . . . 0.0 109.819 179.459 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -84.51 -22.89 30.03 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.829 0.347 . . . . 0.0 110.966 176.78 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.56 -28.12 73.28 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.831 -0.699 . . . . 0.0 112.492 -178.403 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 26' ' ' ALA . . . . . 0.421 ' HB2' ' HB2' ' B' ' 78' ' ' GLN . . . -68.43 -16.78 64.03 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.48 0.657 . . . . 0.0 110.255 177.318 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 27' ' ' VAL . . . . . 0.427 ' CG1' ' HA ' ' A' ' 112' ' ' GLN . 2.9 t -94.78 -37.35 7.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.045 179.462 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 66.0 m-20 -76.88 -10.46 59.39 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.584 -0.735 . . . . 0.0 111.257 -174.696 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 79.8 ttt180 -90.47 -3.3 57.75 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.406 0.622 . . . . 0.0 110.193 178.63 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . 0.55 ' HB3' HD11 ' A' ' 108' ' ' LEU . 90.6 mt -74.59 -29.34 61.28 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.899 -176.226 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 5.1 p -71.73 -8.96 57.35 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.049 0.452 . . . . 0.0 111.32 -179.083 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 71.1 m -74.39 154.99 38.57 Favored 'General case' 0 N--CA 1.442 -0.851 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.776 176.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.4 -20.44 63.06 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.924 178.545 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -49.93 -60.82 2.56 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.734 177.239 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 35' ' ' ALA . . . . . 0.651 ' O ' HG23 ' B' ' 39' ' ' VAL . . . -63.49 -54.28 38.82 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.947 -179.086 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -48.83 -33.47 10.59 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 112.466 0.543 . . . . 0.0 112.466 -176.326 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 33.9 m -76.32 -23.71 54.28 Favored 'General case' 0 CA--C 1.536 0.405 0 N-CA-C 112.025 0.379 . . . . 0.0 112.025 -179.114 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 38' ' ' ARG . . . . . 0.41 HH11 ' HD3' ' B' ' 38' ' ' ARG . 53.0 mtm-85 -96.07 -43.4 7.79 Favored 'General case' 0 CA--C 1.514 -0.427 0 CA-C-O 121.604 0.716 . . . . 0.0 109.725 -177.67 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 39' ' ' VAL . . . . . 0.651 HG23 ' O ' ' B' ' 35' ' ' ALA . 36.0 t -59.62 -42.29 87.82 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.847 0 CA-C-N 114.681 -1.145 . . . . 0.0 110.848 -179.544 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 40' ' ' SER . . . . . 0.457 ' O ' HG12 ' B' ' 43' ' ' ILE . 69.8 p -74.09 -13.02 60.77 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.627 -178.42 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 22.2 t -88.34 -12.99 41.83 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.191 0.519 . . . . 0.0 110.021 -178.388 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 42.7 m-80 -115.94 -3.29 12.16 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.19 -175.036 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 43' ' ' ILE . . . . . 0.474 HG13 ' N ' ' B' ' 44' ' ' ALA . 4.3 pt -60.54 -42.55 91.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 120.904 0.383 . . . . 0.0 111.093 178.803 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 44' ' ' ALA . . . . . 0.474 ' N ' HG13 ' B' ' 43' ' ' ILE . . . -77.07 -11.75 59.85 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.098 0.475 . . . . 0.0 110.87 -177.099 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -83.69 -53.29 5.75 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.952 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 46' ' ' ILE . . . . . 0.421 ' HA ' ' HB1' ' B' ' 53' ' ' ALA . 46.1 mt -64.65 -36.3 77.1 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.238 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.546 179.858 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.83 -21.84 66.22 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.699 -178.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 33.1 t -93.67 -40.44 10.25 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.132 -177.606 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -96.26 -19.88 26.92 Favored Glycine 0 CA--C 1.52 0.344 0 C-N-CA 120.449 -0.882 . . . . 0.0 113.261 -175.702 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 72.31 -75.16 0.82 Allowed Glycine 0 N--CA 1.451 -0.325 0 N-CA-C 111.498 -0.641 . . . . 0.0 111.498 -178.22 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -117.95 -23.12 7.58 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-O 120.986 0.422 . . . . 0.0 110.494 179.17 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 46.7 m -71.44 -14.44 62.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.968 -177.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . 0.421 ' HB1' ' HA ' ' B' ' 46' ' ' ILE . . . -89.52 -17.55 28.4 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.899 -178.511 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 54' ' ' LEU . . . . . 0.406 HD11 HG12 ' A' ' 88' ' ' VAL . 46.8 mt -53.65 -57.31 17.88 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 115.911 -0.586 . . . . 0.0 112.08 -176.494 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 55' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_endo -65.94 -7.04 15.68 Favored 'Trans proline' 0 C--N 1.354 0.817 0 C-N-CA 122.186 1.924 . . . . 0.0 112.9 -175.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 20.1 m -104.36 -37.13 7.34 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.969 0.414 . . . . 0.0 110.747 177.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 55.4 t -80.52 -39.43 18.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.406 -174.69 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 58' ' ' ILE . . . . . 0.457 HG12 HD21 ' B' ' 83' ' ' LEU . 54.6 mt -61.0 -38.68 80.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.877 177.889 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 22.8 t -66.99 -39.71 87.21 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.182 179.688 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 96.7 m-20 -58.09 -53.82 53.89 Favored 'General case' 0 CA--C 1.518 -0.286 0 CA-C-O 121.425 0.631 . . . . 0.0 110.643 178.595 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . 0.443 ' O ' HG22 ' B' ' 65' ' ' VAL . 54.8 mt -70.56 -46.34 70.43 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 115.205 -0.907 . . . . 0.0 111.4 -176.306 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 62' ' ' TYR . . . . . 0.539 ' O ' HG23 ' B' ' 66' ' ' VAL . 67.6 t80 -54.33 -59.32 4.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.078 -178.127 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 7.6 t -65.11 -27.15 68.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.482 -177.097 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -65.62 -42.99 95.2 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.874 -0.679 . . . . 0.0 111.566 177.358 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 65' ' ' VAL . . . . . 0.443 HG22 ' O ' ' B' ' 61' ' ' ILE . 52.3 t -71.3 -42.71 74.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 120.874 0.369 . . . . 0.0 110.527 177.659 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 66' ' ' VAL . . . . . 0.539 HG23 ' O ' ' B' ' 62' ' ' TYR . 99.1 t -58.01 -33.73 47.06 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.249 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.033 -179.525 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.25 -23.48 64.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.7 178.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 40.1 t -74.32 -11.17 60.19 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 116.582 -0.281 . . . . 0.0 111.169 -178.794 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 95.06 25.77 13.8 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.604 -0.808 . . . . 0.0 112.199 178.275 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . 0.417 HG11 HG12 ' B' ' 65' ' ' VAL . 14.9 p -90.38 155.12 3.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 N-CA-C 109.94 -0.393 . . . . 0.0 109.94 179.77 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 36.9 t -60.12 137.73 58.04 Favored 'General case' 0 N--CA 1.453 -0.325 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 174.545 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 27.1 m -54.96 -39.76 69.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.87 0.367 . . . . 0.0 111.763 -176.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -72.21 -37.38 69.23 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.752 -177.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -71.6 -34.96 70.32 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 176.72 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.05 -40.32 93.18 Favored 'General case' 0 C--O 1.224 -0.265 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.742 175.318 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 76' ' ' LEU . . . . . 0.423 ' O ' HD23 ' B' ' 80' ' ' LEU . 3.3 tm? -51.02 -53.16 35.94 Favored 'General case' 0 CA--C 1.519 -0.232 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.852 177.866 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 77' ' ' ILE . . . . . 0.717 ' O ' ' HG ' ' B' ' 81' ' ' LEU . 36.1 mm -60.96 -53.72 45.3 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-N 115.306 -0.861 . . . . 0.0 111.104 -178.199 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 78' ' ' GLN . . . . . 0.421 ' HB2' ' HB2' ' B' ' 26' ' ' ALA . 49.7 tt0 -57.79 -48.41 79.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.861 0.362 . . . . 0.0 111.029 -179.202 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.26 -39.8 94.1 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.294 -177.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 80' ' ' LEU . . . . . 0.701 ' O ' ' HG ' ' B' ' 84' ' ' LEU . 2.8 mm? -62.42 -38.41 89.57 Favored 'General case' 0 C--O 1.221 -0.446 0 C-N-CA 121.068 -0.253 . . . . 0.0 110.627 175.48 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . 0.717 ' HG ' ' O ' ' B' ' 77' ' ' ILE . 26.8 mt -74.75 -35.48 62.61 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 120.84 0.352 . . . . 0.0 111.0 -178.095 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -66.13 -23.85 66.57 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.357 0.599 . . . . 0.0 110.121 171.563 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 83' ' ' LEU . . . . . 0.457 HD21 HG12 ' B' ' 58' ' ' ILE . 40.2 tp -79.27 -43.73 23.12 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.666 176.01 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 84' ' ' LEU . . . . . 0.701 ' HG ' ' O ' ' B' ' 80' ' ' LEU . 13.6 mt -66.08 -9.17 28.5 Favored 'General case' 0 C--O 1.223 -0.341 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.362 -175.028 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 1.6 p -99.27 -26.62 14.11 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.127 179.827 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 86' ' ' ALA . . . . . 0.411 ' O ' HG12 ' B' ' 90' ' ' VAL . . . -72.45 -44.94 61.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.415 0.626 . . . . 0.0 110.469 -178.389 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 87' ' ' LEU . . . . . 0.437 ' HG ' ' O ' ' B' ' 83' ' ' LEU . 1.2 pp -80.48 -12.53 59.53 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.358 -0.837 . . . . 0.0 112.608 -172.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 88' ' ' VAL . . . . . 0.422 HG12 HD13 ' B' ' 87' ' ' LEU . 16.3 m -97.29 -24.31 4.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 C-N-CA 120.516 -0.474 . . . . 0.0 110.675 176.355 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 89' ' ' HIS . . . . . . . . . . . . . 68.2 t60 -69.05 -31.15 69.72 Favored 'General case' 0 N--CA 1.449 -0.511 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 177.661 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 90' ' ' VAL . . . . . 0.423 ' HA ' HG13 ' A' ' 99' ' ' VAL . 21.8 m -64.22 -27.2 42.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 C-N-CA 120.63 -0.428 . . . . 0.0 110.98 -177.248 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 91' ' ' LEU . . . . . 0.451 ' HA ' ' HB3' ' B' ' 94' ' ' ALA . 4.0 mm? -65.75 -20.14 66.16 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.977 179.139 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 34.8 t -62.42 -25.91 68.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.894 178.696 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 21.0 t -129.87 12.82 5.77 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.183 0.516 . . . . 0.0 110.436 179.655 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 94' ' ' ALA . . . . . 0.451 ' HB3' ' HA ' ' B' ' 91' ' ' LEU . . . -106.11 92.23 4.06 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.192 178.138 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 1.4 m -64.22 93.03 0.09 Allowed 'General case' 0 N--CA 1.429 -1.502 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.51 176.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 96' ' ' ILE . . . . . 0.449 HD12 ' HB2' ' A' ' 47' ' ' ALA . 18.7 tt -78.92 147.2 6.97 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.627 0 CA-C-O 120.818 0.342 . . . . 0.0 110.77 -179.195 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 97' ' ' GLY . . . . . . . . . . . . . . . -92.56 -112.07 1.99 Allowed Glycine 0 N--CA 1.446 -0.67 0 C-N-CA 120.5 -0.857 . . . . 0.0 111.849 178.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 98' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -125.41 103.71 8.05 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 110.165 -0.309 . . . . 0.0 110.165 -179.738 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 99' ' ' VAL . . . . . 0.483 HG12 ' HB2' ' A' ' 93' ' ' SER . 14.3 m -82.73 141.68 14.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-O 121.095 0.474 . . . . 0.0 110.766 179.872 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 100' ' ' SER . . . . . . . . . . . . . 15.0 m -108.72 155.08 21.14 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.948 -178.702 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 46.7 m -83.9 31.6 0.48 Allowed 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 120.954 0.407 . . . . 0.0 110.971 -178.492 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 40.3 t -118.81 117.43 54.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.584 -0.28 . . . . 0.0 110.445 -177.816 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . 115.62 -14.68 17.51 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 121.011 -0.614 . . . . 0.0 112.388 176.674 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 104' ' ' VAL . . . . . 0.428 ' O ' HD21 ' B' ' 108' ' ' LEU . 17.8 t -60.16 -31.68 48.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.889 0.376 . . . . 0.0 110.036 -179.604 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -52.53 -42.98 64.84 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.761 179.554 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 23.3 t -77.56 -23.2 50.11 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.487 -179.084 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 14.2 m -71.96 -32.73 67.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.918 0.39 . . . . 0.0 110.461 -178.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 108' ' ' LEU . . . . . 0.56 ' O ' HG12 ' B' ' 111' ' ' VAL . 4.5 mm? -59.8 -34.36 72.94 Favored 'General case' 0 C--O 1.224 -0.257 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.969 177.599 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 109' ' ' ASN . . . . . . . . . . . . . 18.6 m-80 -69.5 -20.01 63.72 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.603 -178.221 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 110' ' ' VAL . . . . . . . . . . . . . 25.0 t -90.9 -38.22 10.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.995 -177.756 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 111' ' ' VAL . . . . . 0.56 HG12 ' O ' ' B' ' 108' ' ' LEU . 10.6 p -60.94 -30.67 47.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 121.135 0.493 . . . . 0.0 110.617 -178.681 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 112' ' ' GLN . . . . . 0.433 ' HG3' ' O ' ' B' ' 108' ' ' LEU . 26.0 mt-30 -65.34 -30.04 70.84 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.699 -179.693 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 113' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -77.33 -31.69 54.72 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.134 -0.939 . . . . 0.0 111.076 -173.253 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 13.7 m -85.11 -36.77 20.92 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.715 -0.675 . . . . 0.0 112.263 -170.775 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 115' ' ' VAL . . . . . 0.405 HG11 ' O ' ' B' ' 111' ' ' VAL . 7.2 p -113.82 -21.27 5.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 N-CA-C 111.953 0.353 . . . . 0.0 111.953 -174.783 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 116' ' ' GLY . . . . . . . . . . . . . . . -63.08 -20.07 62.2 Favored Glycine 0 CA--C 1.518 0.265 0 C-N-CA 120.946 -0.645 . . . . 0.0 113.074 -175.809 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.3 3.33 40.13 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 111.622 0.23 . . . . 0.0 111.622 -178.712 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 118' ' ' TYR . . . . . 0.411 ' HB3' HD21 ' B' ' 76' ' ' LEU . 84.4 m-85 -112.52 -34.46 5.84 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.843 0.354 . . . . 0.0 110.45 177.782 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 119' ' ' VAL . . . . . . . . . . . . . 33.5 m -77.5 -4.82 6.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.072 179.5 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.743 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 178.178 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 11.7 m . . . . . 0 N--CA 1.447 -0.583 0 CA-C-O 120.675 0.274 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.468 ' CE1' ' HA ' ' A' ' 74' ' ' GLU . 0.1 OUTLIER -151.42 125.43 9.21 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 179.545 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -86.29 -22.14 26.95 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 112.328 0.492 . . . . 0.0 112.328 -176.104 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.41 ' HA2' HD21 ' A' ' 28' ' ' ASN . . . -63.94 -29.87 76.08 Favored Glycine 0 CA--C 1.506 -0.487 0 N-CA-C 111.87 -0.492 . . . . 0.0 111.87 -178.614 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.454 ' HB3' ' HB2' ' A' ' 78' ' ' GLN . . . -67.52 -10.96 56.57 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 114.939 -0.63 . . . . 0.0 110.411 176.226 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.496 HG23 ' CD1' ' A' ' 81' ' ' LEU . 3.1 t -103.09 -42.38 8.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.581 -179.65 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . 0.41 HD21 ' HA2' ' A' ' 25' ' ' GLY . 45.8 m-80 -65.91 -33.13 75.13 Favored 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 120.55 -0.46 . . . . 0.0 110.972 -177.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 73.2 ttt180 -67.45 -8.59 34.54 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.358 -178.246 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.404 HD12 ' HB3' ' A' ' 81' ' ' LEU . 84.6 mt -68.78 -19.95 64.33 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.88 0.372 . . . . 0.0 111.208 179.788 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 65.6 p -83.12 5.7 21.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.274 0.559 . . . . 0.0 110.694 179.522 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 45.9 t -87.59 158.72 18.81 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.266 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.83 -26.63 68.84 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.59 177.67 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -53.05 -59.37 4.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.675 178.561 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.619 ' O ' HG22 ' A' ' 39' ' ' VAL . . . -60.23 -59.51 5.3 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.322 -0.854 . . . . 0.0 110.82 179.017 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -48.15 -38.11 17.22 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 111.921 0.341 . . . . 0.0 111.921 -175.422 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 22.7 t -72.31 -27.43 62.44 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 112.272 0.471 . . . . 0.0 112.272 -179.232 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 87.5 mtt-85 -96.65 -38.57 9.88 Favored 'General case' 0 CA--C 1.514 -0.414 0 CA-C-O 121.406 0.622 . . . . 0.0 110.373 -176.063 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.619 HG22 ' O ' ' A' ' 35' ' ' ALA . 32.9 t -63.98 -38.68 83.03 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.866 0 CA-C-N 114.986 -1.006 . . . . 0.0 110.35 179.128 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.455 ' O ' HG12 ' A' ' 43' ' ' ILE . 88.1 p -77.97 -11.67 59.92 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.273 0.558 . . . . 0.0 110.956 179.585 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 44.8 t -82.9 -23.19 33.67 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.283 0.564 . . . . 0.0 110.099 179.516 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 32.4 m-80 -111.63 -0.48 16.06 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.528 -172.435 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.455 HG12 ' O ' ' A' ' 40' ' ' SER . 3.4 pt -59.8 -42.23 88.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.927 0.394 . . . . 0.0 110.705 176.453 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.426 ' N ' HG13 ' A' ' 43' ' ' ILE . . . -75.78 -15.61 60.23 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.888 -176.857 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -79.69 -51.8 8.77 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.145 -179.098 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 46.2 mt -64.89 -36.82 78.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.149 179.138 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.412 ' HB3' HD11 ' B' ' 96' ' ' ILE . . . -65.17 -15.85 62.87 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.446 -179.757 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 28.6 m -112.81 -1.15 14.73 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.394 -177.54 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -126.85 -25.97 1.18 Allowed Glycine 0 CA--C 1.518 0.28 0 C-N-CA 120.524 -0.846 . . . . 0.0 112.929 -179.249 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 77.27 -76.41 1.66 Allowed Glycine 0 N--CA 1.448 -0.535 0 N-CA-C 111.377 -0.689 . . . . 0.0 111.377 179.312 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -126.02 -18.89 4.93 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-O 120.908 0.385 . . . . 0.0 110.61 178.583 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 33.0 t -75.79 -8.46 56.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.883 0.373 . . . . 0.0 110.718 -176.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -95.67 -16.15 22.22 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.753 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.411 ' N ' ' HD2' ' A' ' 55' ' ' PRO . 65.2 mt -53.19 -58.88 10.67 Favored Pre-proline 0 CA--C 1.534 0.353 0 CA-C-N 116.116 -0.493 . . . . 0.0 112.045 -176.849 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.411 ' HD2' ' N ' ' A' ' 54' ' ' LEU . 24.7 Cg_endo -62.26 -20.9 71.6 Favored 'Trans proline' 0 C--N 1.352 0.723 0 C-N-CA 122.273 1.982 . . . . 0.0 112.344 -176.366 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 14.1 m -90.86 -37.37 13.63 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.93 -178.799 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 62.3 t -77.56 -38.98 26.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 121.051 0.453 . . . . 0.0 109.908 -176.549 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.465 HG12 HD23 ' A' ' 83' ' ' LEU . 79.7 mt -57.39 -39.24 67.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.661 -0.7 . . . . 0.0 109.603 173.775 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 42.4 t -66.76 -41.1 88.29 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.006 -179.099 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 93.0 m-20 -60.44 -44.77 95.47 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.075 179.777 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.418 HG21 ' HB2' ' A' ' 82' ' ' GLU . 56.9 mt -80.24 -46.03 22.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.59 -177.084 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.475 ' O ' HG21 ' A' ' 66' ' ' VAL . 62.0 t80 -53.83 -54.28 40.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.431 -177.144 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 10.2 t -62.54 -29.53 70.63 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.914 0.388 . . . . 0.0 110.127 -178.475 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -68.3 -41.78 84.79 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.942 -0.647 . . . . 0.0 111.781 179.151 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.412 HG12 HG13 ' A' ' 70' ' ' VAL . 43.6 t -70.98 -43.75 76.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 121.024 0.44 . . . . 0.0 110.622 178.769 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.475 HG21 ' O ' ' A' ' 62' ' ' TYR . 98.1 t -59.8 -34.32 55.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.905 -179.627 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.36 -17.05 63.35 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.869 179.233 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 33.0 t -76.2 -18.84 58.88 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.027 0.441 . . . . 0.0 110.558 179.742 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 96.84 37.09 4.8 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.661 -0.781 . . . . 0.0 111.873 -177.687 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.425 HG21 ' N ' ' A' ' 71' ' ' SER . 15.0 p -96.9 161.92 2.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 N-CA-C 109.77 -0.456 . . . . 0.0 109.77 178.77 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.425 ' N ' HG21 ' A' ' 70' ' ' VAL . 41.9 t -65.08 144.18 57.42 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 174.094 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 10.6 t -60.66 -41.9 95.94 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.643 0.258 . . . . 0.0 111.339 -176.379 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -72.57 -33.27 66.65 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.06 0.457 . . . . 0.0 109.944 -176.884 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.468 ' HA ' ' CE1' ' A' ' 23' ' ' TYR . 35.8 tt0 -74.95 -33.47 61.93 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.178 179.274 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -62.01 -36.74 82.45 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.251 178.199 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -55.07 -45.07 75.32 Favored 'General case' 0 N--CA 1.463 0.188 0 O-C-N 123.316 0.385 . . . . 0.0 110.042 178.64 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.696 ' O ' ' HG ' ' A' ' 81' ' ' LEU . 40.2 mm -62.41 -56.91 14.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.866 -178.881 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . 0.454 ' HB2' ' HB3' ' A' ' 26' ' ' ALA . 49.1 tt0 -59.13 -49.4 78.0 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.699 0.285 . . . . 0.0 111.074 -178.627 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.11 -34.43 73.48 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.182 -177.224 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.64 ' O ' HD23 ' A' ' 84' ' ' LEU . 5.2 mt -70.76 -41.52 71.66 Favored 'General case' 0 N--CA 1.449 -0.499 0 C-N-CA 120.692 -0.403 . . . . 0.0 110.722 176.149 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.696 ' HG ' ' O ' ' A' ' 77' ' ' ILE . 20.0 mt -69.26 -33.34 73.1 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 120.998 0.428 . . . . 0.0 110.631 -177.437 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.418 ' HB2' HG21 ' A' ' 61' ' ' ILE . 41.9 mt-10 -67.24 -21.04 65.75 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.636 171.745 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.511 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 37.0 tp -84.47 -41.83 16.2 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.013 0.435 . . . . 0.0 110.43 175.478 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.64 HD23 ' O ' ' A' ' 80' ' ' LEU . 4.1 mm? -65.05 -9.52 22.81 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.555 -0.748 . . . . 0.0 112.048 -177.544 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.9 p -100.82 -25.86 13.97 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 120.846 0.355 . . . . 0.0 110.99 179.591 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -73.21 -46.8 48.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.459 0.647 . . . . 0.0 110.577 -178.646 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.511 ' HG ' ' O ' ' A' ' 83' ' ' LEU . 1.1 pp -77.98 -14.33 59.56 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.348 -0.842 . . . . 0.0 112.877 -171.652 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 17.6 m -96.2 -21.63 5.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 C-N-CA 120.442 -0.503 . . . . 0.0 110.654 176.249 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 65.5 t60 -69.26 -33.96 74.03 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 176.715 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.423 ' HA ' HG13 ' B' ' 99' ' ' VAL . 23.2 m -64.96 -25.63 38.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.424 -176.346 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.486 ' HA ' ' HB3' ' A' ' 94' ' ' ALA . 3.9 mm? -63.88 -22.55 66.97 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.006 -179.286 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 25.9 t -57.21 -31.44 65.49 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.964 178.616 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 9.4 t -123.44 13.26 9.46 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-O 121.587 0.708 . . . . 0.0 109.842 -178.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . 0.486 ' HB3' ' HA ' ' A' ' 91' ' ' LEU . . . -103.77 92.99 4.66 Favored 'General case' 0 N--CA 1.445 -0.708 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.131 178.846 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 21.4 t -72.61 91.48 1.44 Allowed 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.659 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.433 HD12 ' HB1' ' B' ' 47' ' ' ALA . 20.4 tt -73.82 142.79 14.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.429 -179.029 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -87.54 -98.69 0.88 Allowed Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.052 179.216 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 8.6 t30 -138.6 111.52 7.81 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.825 0.345 . . . . 0.0 110.249 177.675 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.404 ' CG1' HD11 ' A' ' 96' ' ' ILE . 7.4 m -85.91 148.64 4.6 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.019 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 43.7 t -109.55 146.64 34.32 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.868 -0.605 . . . . 0.0 109.83 -179.055 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 54.8 m -76.51 -6.8 53.39 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.22 0.534 . . . . 0.0 110.411 176.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 60.3 t -93.02 108.61 20.6 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.432 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.625 -178.402 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 130.72 -16.27 5.36 Favored Glycine 0 N--CA 1.453 -0.182 0 C-N-CA 120.853 -0.689 . . . . 0.0 112.998 176.507 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.413 HG23 ' CD2' ' B' ' 89' ' ' HIS . 21.6 t -58.36 -28.33 35.3 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.378 0 C-N-CA 122.139 0.176 . . . . 0.0 111.112 -178.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -49.65 -46.43 49.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.465 178.212 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 18.6 m -74.65 -36.37 62.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.66 -176.461 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 9.6 m -64.32 -27.12 68.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.615 0.722 . . . . 0.0 110.094 178.59 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.492 ' O ' ' HG3' ' A' ' 112' ' ' GLN . 2.7 mt -71.7 -16.45 62.24 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.506 -0.77 . . . . 0.0 111.64 177.477 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . 0.527 ' N ' HD21 ' A' ' 109' ' ' ASN . 0.8 OUTLIER -82.54 -30.06 29.96 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 120.701 0.286 . . . . 0.0 110.763 -179.741 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 7.3 p -85.51 -29.68 6.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 120.793 0.33 . . . . 0.0 111.258 -177.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 14.4 p -62.77 -31.73 53.29 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.346 0 CA-C-O 121.203 0.525 . . . . 0.0 110.232 178.073 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . 0.492 ' HG3' ' O ' ' A' ' 108' ' ' LEU . 26.8 mt-30 -63.95 -32.57 74.15 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.945 -178.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -81.13 -19.9 42.54 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.575 -0.738 . . . . 0.0 110.429 -175.701 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' SER . . . . . 0.405 ' OG ' ' HD3' ' A' ' 55' ' ' PRO . 15.0 m -83.43 -41.32 18.23 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.441 -175.264 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . 0.467 HG12 HD22 ' B' ' 81' ' ' LEU . 12.3 p -112.64 -22.42 4.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.716 -173.454 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -57.84 -27.32 59.13 Favored Glycine 0 C--N 1.331 0.292 0 C-N-CA 121.458 -0.401 . . . . 0.0 113.366 -176.122 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.27 0.89 43.6 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 111.619 0.229 . . . . 0.0 111.619 -178.059 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 92.9 m-85 -114.06 -32.22 6.11 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.181 0.515 . . . . 0.0 110.293 177.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . 0.489 ' O ' ' HB3' ' B' ' 22' ' ' SER . 30.9 m . . . . . 0 C--N 1.326 -0.454 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.065 178.254 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 22' ' ' SER . . . . . 0.489 ' HB3' ' O ' ' A' ' 119' ' ' VAL . 7.1 m . . . . . 0 CA--C 1.514 -0.413 0 CA-C-O 120.603 0.239 . . . . 0.0 110.741 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 23' ' ' TYR . . . . . 0.444 ' OH ' ' HB3' ' B' ' 73' ' ' ASN . 0.3 OUTLIER -147.31 136.28 22.26 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.258 -177.835 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . 0.402 ' HA ' HG22 ' B' ' 27' ' ' VAL . . . -101.34 -13.37 18.05 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.927 -178.155 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -67.52 -31.48 76.64 Favored Glycine 0 CA--C 1.509 -0.291 0 C-N-CA 120.456 -0.878 . . . . 0.0 111.594 -178.341 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.78 -20.59 66.46 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.349 0.595 . . . . 0.0 110.809 175.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 27' ' ' VAL . . . . . 0.427 HG23 ' CD1' ' B' ' 81' ' ' LEU . 2.3 t -91.18 -44.33 14.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.176 -178.471 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 59.3 m-20 -68.92 -15.26 63.44 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.348 -0.842 . . . . 0.0 111.491 -173.333 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 68.4 ttt180 -88.22 -6.02 58.05 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.828 -178.471 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . 0.461 HD12 ' HB3' ' B' ' 81' ' ' LEU . 87.0 mt -71.38 -25.73 62.49 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.233 -176.478 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 10.3 p -79.09 1.3 24.66 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.983 0.42 . . . . 0.0 111.113 179.463 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 55.6 m -89.12 152.66 21.51 Favored 'General case' 0 N--CA 1.442 -0.835 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.472 177.587 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.73 -21.02 65.5 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.239 -179.606 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -52.74 -58.4 6.99 Favored 'General case' 0 CA--C 1.52 -0.186 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.271 176.548 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 35' ' ' ALA . . . . . 0.604 ' O ' HG21 ' B' ' 39' ' ' VAL . . . -60.42 -55.96 27.24 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.562 179.086 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -47.54 -36.36 10.34 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 115.945 -0.571 . . . . 0.0 112.141 -176.175 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 23.1 t -68.08 -32.82 73.42 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.331 -0.395 . . . . 0.0 112.064 -178.546 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 38' ' ' ARG . . . . . 0.414 ' NH1' ' HA3' ' B' ' 64' ' ' GLY . 49.3 mtt-85 -96.99 -37.5 10.15 Favored 'General case' 0 CA--C 1.516 -0.336 0 CA-C-O 121.384 0.611 . . . . 0.0 110.572 -175.237 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 39' ' ' VAL . . . . . 0.604 HG21 ' O ' ' B' ' 35' ' ' ALA . 24.2 t -61.94 -39.2 82.75 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.868 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.181 178.736 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 91.2 p -78.15 -6.75 55.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.974 0.416 . . . . 0.0 111.07 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 48.5 t -90.3 -15.32 31.45 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.321 0.581 . . . . 0.0 110.177 179.786 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 39.8 m-80 -117.65 -3.63 11.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.215 -175.094 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 43' ' ' ILE . . . . . 0.49 HG22 ' O ' ' B' ' 39' ' ' VAL . 6.4 pt -57.8 -43.62 84.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.971 0.415 . . . . 0.0 111.086 177.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 44' ' ' ALA . . . . . 0.485 ' N ' HG13 ' B' ' 43' ' ' ILE . . . -77.13 -12.04 59.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.84 -175.559 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -79.89 -51.82 8.64 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.839 -0.618 . . . . 0.0 109.76 178.341 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 37.3 mt -66.98 -35.32 74.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.264 -179.635 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . 0.433 ' HB1' HD12 ' A' ' 96' ' ' ILE . . . -63.54 -19.92 65.19 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.445 178.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 44.1 m -104.68 -35.18 7.89 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.548 -176.795 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -95.86 -19.31 29.45 Favored Glycine 0 CA--C 1.519 0.313 0 C-N-CA 120.463 -0.875 . . . . 0.0 113.191 -177.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 73.39 -75.46 0.99 Allowed Glycine 0 C--O 1.225 -0.43 0 N-CA-C 111.721 -0.552 . . . . 0.0 111.721 179.635 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -124.58 -21.1 4.93 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.478 -0.361 . . . . 0.0 110.794 -179.292 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 15.3 t -75.3 -13.02 60.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.097 0.475 . . . . 0.0 110.223 -178.364 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -87.85 -19.4 27.46 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.606 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 54' ' ' LEU . . . . . 0.434 ' N ' ' HD2' ' B' ' 55' ' ' PRO . 49.5 mt -52.98 -57.98 14.07 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.979 -176.481 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 55' ' ' PRO . . . . . 0.434 ' HD2' ' N ' ' B' ' 54' ' ' LEU . 20.5 Cg_endo -61.34 -25.12 79.82 Favored 'Trans proline' 0 C--N 1.352 0.74 0 C-N-CA 122.157 1.904 . . . . 0.0 112.453 -177.42 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 48.5 m -84.23 -39.59 19.12 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.788 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 63.1 t -76.22 -39.08 34.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.094 -174.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 58' ' ' ILE . . . . . 0.454 HG12 HD23 ' B' ' 83' ' ' LEU . 62.2 mt -57.03 -43.64 81.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.031 174.766 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 32.6 t -67.43 -39.53 85.46 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.571 -177.774 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 81.9 m-20 -61.01 -43.81 98.33 Favored 'General case' 0 CA--C 1.519 -0.224 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.095 179.119 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . 0.44 ' O ' HG23 ' B' ' 65' ' ' VAL . 63.2 mt -79.54 -48.36 21.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 115.714 -0.676 . . . . 0.0 111.428 -178.315 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 62' ' ' TYR . . . . . 0.488 ' O ' HG22 ' B' ' 66' ' ' VAL . 45.7 t80 -55.22 -54.39 44.03 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.566 -0.288 . . . . 0.0 110.894 -176.05 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 19.6 m -60.94 -29.75 69.81 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.83 -179.232 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . 0.414 ' HA3' ' NH1' ' B' ' 38' ' ' ARG . . . -73.21 -44.42 35.23 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.947 -0.644 . . . . 0.0 111.799 178.413 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 65' ' ' VAL . . . . . 0.44 HG23 ' O ' ' B' ' 61' ' ' ILE . 85.7 t -65.17 -42.56 94.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-O 120.874 0.369 . . . . 0.0 111.083 179.841 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 66' ' ' VAL . . . . . 0.488 HG22 ' O ' ' B' ' 62' ' ' TYR . 90.1 t -60.58 -46.3 95.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.746 179.661 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.91 -14.92 63.35 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.313 178.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 27.8 t -78.22 -15.5 58.74 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.848 -179.105 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 101.28 27.91 7.05 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.216 -0.992 . . . . 0.0 113.211 176.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . 0.432 HG23 ' N ' ' B' ' 71' ' ' SER . 11.6 p -80.31 166.36 2.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 N-CA-C 110.25 -0.278 . . . . 0.0 110.25 177.787 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 71' ' ' SER . . . . . 0.432 ' N ' HG23 ' B' ' 70' ' ' VAL . 47.2 t -69.38 151.32 46.29 Favored 'General case' 0 N--CA 1.454 -0.255 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 172.616 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 7.2 p -56.5 -64.02 1.0 Allowed 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.985 0.735 . . . . 0.0 112.985 -170.426 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 73' ' ' ASN . . . . . 0.444 ' HB3' ' OH ' ' B' ' 23' ' ' TYR . 3.2 t30 -76.72 -18.53 58.45 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 120.634 -0.426 . . . . 0.0 110.818 -176.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -74.27 -23.41 59.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.143 0.497 . . . . 0.0 109.855 177.725 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.26 -39.9 88.44 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.538 176.036 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -56.0 -48.3 76.16 Favored 'General case' 0 CA--C 1.516 -0.335 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.628 177.496 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 77' ' ' ILE . . . . . 0.612 ' O ' ' HG ' ' B' ' 81' ' ' LEU . 40.2 mm -64.27 -53.75 39.47 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-N 115.399 -0.819 . . . . 0.0 111.242 -177.547 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 78' ' ' GLN . . . . . . . . . . . . . 14.3 tt0 -58.4 -46.74 85.82 Favored 'General case' 0 N--CA 1.465 0.32 0 C-N-CA 121.176 -0.21 . . . . 0.0 111.024 179.533 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -59.82 -41.02 90.36 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.037 0.446 . . . . 0.0 110.451 -179.702 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 80' ' ' LEU . . . . . 0.664 ' O ' HD23 ' B' ' 84' ' ' LEU . 2.2 mm? -64.99 -45.65 84.71 Favored 'General case' 0 N--CA 1.446 -0.673 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.073 176.215 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . 0.612 ' HG ' ' O ' ' B' ' 77' ' ' ILE . 14.0 mt -68.17 -36.72 80.06 Favored 'General case' 0 C--N 1.322 -0.591 0 O-C-N 122.238 -0.288 . . . . 0.0 111.613 -175.645 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -64.8 -27.2 68.72 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.091 0.472 . . . . 0.0 110.785 172.608 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 83' ' ' LEU . . . . . 0.543 ' O ' ' HG ' ' B' ' 87' ' ' LEU . 35.1 tp -76.97 -43.25 35.75 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.035 0.445 . . . . 0.0 110.56 174.586 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 84' ' ' LEU . . . . . 0.664 HD23 ' O ' ' B' ' 80' ' ' LEU . 4.0 mm? -63.46 -11.66 25.32 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.518 -0.765 . . . . 0.0 112.053 -177.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 1.5 p -101.11 -27.59 13.16 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 120.645 0.259 . . . . 0.0 110.909 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -70.64 -46.73 62.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.293 0.568 . . . . 0.0 110.554 -178.752 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 87' ' ' LEU . . . . . 0.543 ' HG ' ' O ' ' B' ' 83' ' ' LEU . 1.1 pp -77.2 -17.13 58.75 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.485 -0.779 . . . . 0.0 112.822 -172.783 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 88' ' ' VAL . . . . . 0.4 HG11 HD11 ' A' ' 54' ' ' LEU . 18.7 m -93.02 -24.61 5.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 C-N-CA 120.3 -0.56 . . . . 0.0 110.812 176.702 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 89' ' ' HIS . . . . . 0.413 ' CD2' HG23 ' A' ' 104' ' ' VAL . 73.5 t60 -67.55 -32.74 73.72 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.106 178.006 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 90' ' ' VAL . . . . . 0.456 HG21 ' O ' ' B' ' 87' ' ' LEU . 19.1 m -64.79 -27.86 43.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.201 -177.031 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 91' ' ' LEU . . . . . 0.452 ' HA ' ' HB3' ' B' ' 94' ' ' ALA . 3.7 mm? -62.48 -25.49 68.03 Favored 'General case' 0 CA--C 1.52 -0.199 0 CA-C-O 120.983 0.42 . . . . 0.0 110.641 178.508 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 48.8 m -60.87 -22.57 64.39 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.272 179.677 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 23.2 t -130.01 18.63 5.53 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-O 121.201 0.524 . . . . 0.0 110.037 177.146 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 94' ' ' ALA . . . . . 0.452 ' HB3' ' HA ' ' B' ' 91' ' ' LEU . . . -115.19 90.65 3.39 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.286 178.569 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 8.6 t -73.09 94.48 1.92 Allowed 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 179.174 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 96' ' ' ILE . . . . . 0.412 HD11 ' HB3' ' A' ' 47' ' ' ALA . 20.4 tt -69.01 146.72 12.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.679 -175.78 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 97' ' ' GLY . . . . . . . . . . . . . . . -89.95 -86.83 1.32 Allowed Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 121.08 -0.581 . . . . 0.0 112.8 -179.181 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 98' ' ' ASN . . . . . . . . . . . . . 9.3 t30 -150.47 111.68 4.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.733 0.267 . . . . 0.0 110.702 -176.429 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 99' ' ' VAL . . . . . 0.423 HG13 ' HA ' ' A' ' 90' ' ' VAL . 8.4 m -103.25 148.65 8.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 120.969 0.414 . . . . 0.0 111.465 -178.031 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 100' ' ' SER . . . . . . . . . . . . . 50.5 m -123.19 162.84 21.78 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.375 -178.725 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 101' ' ' SER . . . . . 0.45 ' CB ' ' HB2' ' A' ' 40' ' ' SER . 6.7 p -82.55 24.48 0.7 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.853 -176.831 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 43.3 t -109.29 114.32 46.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 120.769 0.318 . . . . 0.0 110.995 -174.285 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . 111.61 -8.2 28.1 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 121.085 -0.579 . . . . 0.0 112.543 175.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 104' ' ' VAL . . . . . 0.41 ' O ' HD11 ' B' ' 108' ' ' LEU . 33.5 t -60.96 -34.01 58.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 178.683 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -50.07 -48.11 53.23 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.233 -0.894 . . . . 0.0 110.284 175.435 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 39.9 m -78.21 -32.85 50.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.49 -0.777 . . . . 0.0 111.506 -177.292 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 28.0 m -59.5 -36.4 75.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.379 0.609 . . . . 0.0 109.998 175.216 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 108' ' ' LEU . . . . . 0.614 ' O ' ' HG3' ' B' ' 112' ' ' GLN . 3.3 mt -62.52 -28.38 69.81 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.345 -0.843 . . . . 0.0 111.424 177.684 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 109' ' ' ASN . . . . . 0.471 HD21 ' N ' ' B' ' 109' ' ' ASN . 0.9 OUTLIER -68.63 -28.94 67.35 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.229 0.538 . . . . 0.0 110.215 178.818 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 110' ' ' VAL . . . . . . . . . . . . . 23.1 t -82.69 -37.34 14.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.888 -177.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 111' ' ' VAL . . . . . 0.563 HG11 ' O ' ' B' ' 108' ' ' LEU . 7.8 p -64.31 -31.83 55.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-O 121.128 0.489 . . . . 0.0 110.038 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 112' ' ' GLN . . . . . 0.614 ' HG3' ' O ' ' B' ' 108' ' ' LEU . 27.2 mt-30 -65.3 -32.79 74.63 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.381 178.568 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 113' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -73.35 -34.49 65.64 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.289 -0.869 . . . . 0.0 110.789 -178.136 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 15.3 m -76.84 -37.58 55.38 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.312 -0.858 . . . . 0.0 112.204 -170.126 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 115' ' ' VAL . . . . . 0.494 HG12 ' CD2' ' A' ' 81' ' ' LEU . 14.7 p -118.87 -19.89 5.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 C-N-CA 120.779 -0.369 . . . . 0.0 111.98 -173.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 116' ' ' GLY . . . . . . . . . . . . . . . -61.51 -17.48 53.58 Favored Glycine 0 C--O 1.228 -0.269 0 C-N-CA 121.218 -0.515 . . . . 0.0 113.027 -176.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.75 1.76 56.94 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.664 0.269 . . . . 0.0 111.236 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 118' ' ' TYR . . . . . . . . . . . . . 77.9 m-85 -112.99 -32.35 6.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.043 0.449 . . . . 0.0 110.163 177.522 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 119' ' ' VAL . . . . . . . . . . . . . 33.8 m -88.16 -2.47 8.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.35 178.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.215 0 CA-C-O 118.262 -1.299 . . . . 0.0 112.055 179.859 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.504 ' HB3' ' O ' ' B' ' 119' ' ' VAL . 26.7 m . . . . . 0 N--CA 1.444 -0.769 0 N-CA-C 109.941 -0.392 . . . . 0.0 109.941 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -149.54 129.22 13.2 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.262 -177.784 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -89.41 -14.0 36.44 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.071 -179.685 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.475 ' HA2' HD22 ' A' ' 28' ' ' ASN . . . -66.17 -32.37 82.04 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.814 -0.707 . . . . 0.0 112.236 -178.767 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.451 ' HB3' ' HB2' ' A' ' 78' ' ' GLN . . . -77.71 -3.29 40.4 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.0 0.429 . . . . 0.0 111.18 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.2 t -100.65 -51.87 9.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 C-N-CA 120.762 -0.375 . . . . 0.0 110.655 -176.151 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . 0.475 HD22 ' HA2' ' A' ' 25' ' ' GLY . 7.6 p30 -68.11 -18.42 64.64 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.027 0.441 . . . . 0.0 110.774 -176.823 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 10.9 ttt85 -72.95 -14.65 61.5 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.053 178.287 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.484 ' HB3' HD13 ' B' ' 108' ' ' LEU . 92.3 mt -65.13 -27.15 68.54 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.804 -178.434 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 63.7 p -75.25 1.87 12.47 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.938 0.399 . . . . 0.0 111.232 -177.191 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 39.0 t -84.58 151.44 24.53 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 177.276 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.87 -19.79 53.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.289 -178.839 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.448 ' HB3' ' NH2' ' A' ' 38' ' ' ARG . 30.0 mt-10 -54.1 -56.63 16.21 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.558 -0.747 . . . . 0.0 110.885 178.141 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.471 ' O ' HG22 ' A' ' 39' ' ' VAL . . . -59.9 -48.13 82.95 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.552 179.009 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.07 -7.02 7.43 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.047 -0.524 . . . . 0.0 112.165 -176.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 49.6 m -99.94 -22.64 15.2 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.647 0.261 . . . . 0.0 111.506 176.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.449 ' HD2' ' OE1' ' A' ' 82' ' ' GLU . 49.6 mtt180 -94.8 -53.13 3.97 Favored 'General case' 0 CA--C 1.512 -0.489 0 N-CA-C 108.979 -0.749 . . . . 0.0 108.979 -179.404 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.507 ' O ' HG23 ' A' ' 43' ' ' ILE . 52.0 t -54.85 -36.8 38.76 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 114.04 -1.437 . . . . 0.0 111.273 -179.106 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 48.7 p -74.09 -10.92 60.11 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.778 -177.673 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 22.7 t -97.22 -10.71 25.29 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.747 0.784 . . . . 0.0 109.066 177.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 14.0 m120 -99.24 -25.17 14.59 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.038 -0.983 . . . . 0.0 109.746 -175.289 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.575 HG13 ' N ' ' A' ' 44' ' ' ALA . 7.1 pt -54.97 -41.75 60.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.138 -0.937 . . . . 0.0 111.363 179.403 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.575 ' N ' HG13 ' A' ' 43' ' ' ILE . . . -81.63 -5.14 57.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.148 0.499 . . . . 0.0 111.121 -175.422 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -95.68 -51.91 4.32 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.102 178.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 53.3 mt -66.37 -34.78 72.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.649 -179.114 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.26 -20.29 65.33 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.293 179.439 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 14.0 t -95.85 -39.88 9.6 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.154 -176.317 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -100.26 -20.26 16.25 Favored Glycine 0 CA--C 1.519 0.32 0 C-N-CA 120.627 -0.797 . . . . 0.0 113.55 -174.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 75.7 -79.66 1.1 Allowed Glycine 0 N--CA 1.447 -0.596 0 N-CA-C 111.399 -0.68 . . . . 0.0 111.399 -179.054 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -117.97 -19.67 9.06 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-O 121.058 0.456 . . . . 0.0 110.386 178.679 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 16.0 m -71.06 -14.99 62.51 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.458 -179.024 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -92.27 -13.68 30.03 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.835 -179.191 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.437 ' N ' ' HD2' ' A' ' 55' ' ' PRO . 45.5 mt -56.2 -57.91 19.71 Favored Pre-proline 0 C--N 1.326 -0.416 0 CA-C-N 116.089 -0.505 . . . . 0.0 112.069 -176.419 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.437 ' HD2' ' N ' ' A' ' 54' ' ' LEU . 18.2 Cg_endo -60.26 -26.59 82.98 Favored 'Trans proline' 0 C--N 1.351 0.672 0 C-N-CA 121.967 1.778 . . . . 0.0 112.191 -176.682 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 9.0 m -82.6 -41.09 19.95 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.03 -178.623 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 75.6 t -80.04 -38.06 18.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.731 -172.57 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.45 HG12 HD23 ' A' ' 83' ' ' LEU . 66.0 mt -57.25 -43.14 81.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.323 176.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 6.1 t -67.49 -36.84 81.88 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.035 -177.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 90.7 m-20 -61.25 -54.26 46.32 Favored 'General case' 0 CA--C 1.518 -0.252 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.982 178.234 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.457 ' O ' HG22 ' A' ' 65' ' ' VAL . 38.9 mt -66.76 -43.62 89.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.191 -177.522 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.475 ' O ' HG22 ' A' ' 66' ' ' VAL . 46.6 t80 -57.18 -55.56 33.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.891 -176.723 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 23.2 m -59.14 -34.01 71.56 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.647 179.405 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -65.71 -42.02 95.52 Favored Glycine 0 N--CA 1.453 -0.221 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.909 178.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.457 HG22 ' O ' ' A' ' 61' ' ' ILE . 79.3 t -73.03 -42.4 59.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-O 120.566 0.222 . . . . 0.0 111.191 -179.395 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.475 HG22 ' O ' ' A' ' 62' ' ' TYR . 85.1 t -59.77 -39.2 79.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 121.065 0.46 . . . . 0.0 110.854 -179.876 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -74.13 -2.12 23.2 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.537 179.444 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 14.5 t -94.16 -6.06 45.7 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.607 -179.575 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 92.92 26.62 16.09 Favored Glycine 0 CA--C 1.521 0.408 0 C-N-CA 120.601 -0.809 . . . . 0.0 112.943 176.737 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.445 HG13 HG13 ' A' ' 65' ' ' VAL . 9.9 p -80.82 160.77 3.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 N-CA-C 110.307 -0.257 . . . . 0.0 110.307 178.561 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 42.0 t -64.59 145.11 56.65 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 172.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 16.4 p -53.62 -63.13 1.25 Allowed 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 112.599 0.592 . . . . 0.0 112.599 -171.703 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -69.96 -24.92 63.42 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.945 0.402 . . . . 0.0 110.626 -176.186 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -73.77 -23.78 59.77 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.04 0.448 . . . . 0.0 110.526 -179.226 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.65 -36.05 75.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.85 -0.613 . . . . 0.0 111.021 178.142 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -59.44 -47.18 86.47 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 178.071 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.709 ' O ' ' HG ' ' A' ' 81' ' ' LEU . 41.1 mm -63.7 -56.37 17.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.787 -179.263 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . 0.451 ' HB2' ' HB3' ' A' ' 26' ' ' ALA . 30.5 tp60 -53.8 -48.38 69.9 Favored 'General case' 0 N--CA 1.466 0.337 0 O-C-N 123.166 0.291 . . . . 0.0 111.032 179.294 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.47 -39.86 94.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.127 -179.011 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.618 ' O ' HD21 ' A' ' 84' ' ' LEU . 6.6 mt -69.18 -41.44 77.17 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.936 178.092 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.709 ' HG ' ' O ' ' A' ' 77' ' ' ILE . 84.4 mt -60.98 -40.23 92.64 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.055 0.455 . . . . 0.0 110.438 179.234 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.449 ' OE1' ' HD2' ' A' ' 38' ' ' ARG . 44.3 mt-10 -67.85 -35.35 78.41 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.611 174.554 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.45 HD23 HG12 ' A' ' 58' ' ' ILE . 54.0 tp -67.73 -44.39 77.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.022 0.439 . . . . 0.0 110.764 178.66 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.618 HD21 ' O ' ' A' ' 80' ' ' LEU . 4.2 mm? -63.15 -11.71 22.43 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.419 -179.005 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.42 ' OG ' HD12 ' B' ' 108' ' ' LEU . 41.4 m -94.13 -31.7 14.06 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.843 0.354 . . . . 0.0 110.912 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -70.29 -43.15 70.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.232 0.539 . . . . 0.0 110.724 -176.702 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.447 ' HG ' ' O ' ' A' ' 83' ' ' LEU . 1.2 pp -81.59 -15.82 53.53 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.56 -0.745 . . . . 0.0 112.889 -172.439 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.434 ' N ' HD12 ' A' ' 87' ' ' LEU . 18.1 m -94.56 -23.88 5.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 C-N-CA 120.478 -0.489 . . . . 0.0 110.636 175.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 73.7 t60 -65.44 -35.43 80.91 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.792 177.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 26.9 m -65.88 -27.9 42.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.697 -175.611 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.436 ' HA ' ' HB1' ' A' ' 94' ' ' ALA . 3.4 mm? -64.56 -23.05 67.14 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.214 -178.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 44.3 t -59.31 -30.43 68.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.002 0.429 . . . . 0.0 110.944 -179.82 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 9.5 t -121.42 9.9 10.41 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.458 0.647 . . . . 0.0 109.992 -178.509 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . 0.436 ' HB1' ' HA ' ' A' ' 91' ' ' LEU . . . -104.94 93.04 4.5 Favored 'General case' 0 N--CA 1.447 -0.615 0 CA-C-N 115.833 -0.622 . . . . 0.0 110.377 -179.703 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 10.7 t -73.18 88.71 1.49 Allowed 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 178.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.419 HD12 ' CG1' ' A' ' 99' ' ' VAL . 19.6 tt -66.89 144.83 14.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 115.465 -0.789 . . . . 0.0 111.668 -177.829 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -88.22 -110.93 1.07 Allowed Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.072 178.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -125.46 111.81 15.53 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.931 0.396 . . . . 0.0 110.851 -179.747 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.422 HG11 ' HA ' ' B' ' 90' ' ' VAL . 4.2 m -94.29 136.35 25.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.996 179.502 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 20.7 m -91.47 147.63 22.89 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 115.901 -0.59 . . . . 0.0 109.878 179.108 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 13.5 m -86.52 7.62 25.33 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.227 0.537 . . . . 0.0 110.563 -179.411 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 5.8 p -109.82 123.5 65.76 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.659 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.91 -178.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 116.02 -11.56 17.57 Favored Glycine 0 N--CA 1.448 -0.512 0 CA-C-N 115.635 -0.711 . . . . 0.0 112.158 179.414 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 61.7 t -58.51 -32.24 45.29 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-O 120.666 0.27 . . . . 0.0 110.658 178.729 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -46.69 -42.03 15.89 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.261 178.114 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 46.8 m -73.54 -25.65 60.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.736 -0.666 . . . . 0.0 111.546 -177.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 14.3 m -72.53 -28.72 63.03 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.408 0.623 . . . . 0.0 109.766 179.001 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.522 HD11 ' HB3' ' B' ' 30' ' ' LEU . 4.3 mm? -65.1 -24.75 67.53 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.567 175.05 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . 0.436 ' N ' HD21 ' A' ' 109' ' ' ASN . 0.9 OUTLIER -74.17 -36.9 64.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.007 -179.003 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 10.7 p -83.55 -27.13 7.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.768 0.318 . . . . 0.0 111.639 -174.289 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.433 HG11 ' O ' ' A' ' 108' ' ' LEU . 8.8 p -67.27 -28.46 42.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 121.379 0.609 . . . . 0.0 110.238 178.859 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . 0.488 ' HG3' ' O ' ' A' ' 108' ' ' LEU . 24.7 mt-30 -70.89 -20.59 62.49 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.843 179.5 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -83.32 -34.0 25.78 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.622 -173.474 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 14.3 p -84.11 -46.89 11.47 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.277 -0.874 . . . . 0.0 112.034 -171.449 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . 0.43 HG11 HD21 ' B' ' 81' ' ' LEU . 13.8 p -106.09 -14.11 9.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-O 121.121 0.486 . . . . 0.0 111.179 -174.785 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -63.86 -16.69 59.7 Favored Glycine 0 N--CA 1.452 -0.295 0 CA-C-N 115.885 -0.598 . . . . 0.0 112.726 -178.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -96.75 9.29 42.16 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.824 0.345 . . . . 0.0 110.837 178.726 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 61.3 m-85 -119.98 -31.09 4.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.964 0.412 . . . . 0.0 110.24 176.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 30.9 m . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.132 176.096 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 8.3 m . . . . . 0 N--CA 1.444 -0.764 0 CA-C-O 120.629 0.252 . . . . 0.0 110.532 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 23' ' ' TYR . . . . . 0.424 ' CE1' ' HA ' ' B' ' 74' ' ' GLU . 0.3 OUTLIER -148.57 117.45 6.71 Favored 'General case' 0 N--CA 1.446 -0.644 0 CA-C-N 116.123 -0.49 . . . . 0.0 109.693 -178.038 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -87.16 -15.34 38.65 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.574 -177.551 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -70.54 -18.8 75.83 Favored Glycine 0 CA--C 1.506 -0.486 0 C-N-CA 120.818 -0.706 . . . . 0.0 111.999 179.05 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 26' ' ' ALA . . . . . 0.472 ' HB3' ' HB2' ' B' ' 78' ' ' GLN . . . -88.33 6.37 37.48 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-O 121.294 0.569 . . . . 0.0 110.144 177.165 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 27' ' ' VAL . . . . . 0.489 HG22 ' CD1' ' B' ' 81' ' ' LEU . 2.6 t -114.95 -50.68 4.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.398 -179.522 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 11.3 p30 -72.08 -1.21 13.96 Favored 'General case' 0 N--CA 1.465 0.283 0 N-CA-C 112.25 0.463 . . . . 0.0 112.25 -175.271 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -104.33 8.55 35.95 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.517 -0.473 . . . . 0.0 110.2 174.689 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . 0.522 ' HB3' HD11 ' A' ' 108' ' ' LEU . 75.7 mt -72.13 -32.35 66.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.589 176.663 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 14.1 p -73.82 3.46 6.58 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.936 179.214 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 35.8 t -85.69 157.78 20.22 Favored 'General case' 0 N--CA 1.45 -0.464 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 175.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -58.97 -22.88 61.09 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.256 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -50.98 -55.68 16.13 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.131 -179.744 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 35' ' ' ALA . . . . . 0.451 ' O ' HG21 ' B' ' 39' ' ' VAL . . . -69.81 -49.16 55.4 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.247 -179.072 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.36 -13.51 13.53 Favored 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 112.248 0.462 . . . . 0.0 112.248 -177.632 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 50.8 m -89.98 -20.31 23.43 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.635 0.255 . . . . 0.0 111.454 175.731 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 61.0 mtm-85 -101.91 -51.95 3.29 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 -177.601 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 39' ' ' VAL . . . . . 0.451 HG21 ' O ' ' B' ' 35' ' ' ALA . 59.2 t -53.1 -42.8 46.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 114.784 -1.098 . . . . 0.0 111.629 -178.866 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 4.5 m -72.27 -6.98 46.86 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.846 -176.618 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 21.4 t -99.3 -7.16 26.74 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.735 0.779 . . . . 0.0 109.183 176.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -100.14 -24.78 14.49 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.318 -0.856 . . . . 0.0 109.765 -176.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 43' ' ' ILE . . . . . 0.583 HG13 ' N ' ' B' ' 44' ' ' ALA . 6.2 pt -55.73 -40.51 61.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 114.898 -1.046 . . . . 0.0 111.76 -177.881 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 44' ' ' ALA . . . . . 0.583 ' N ' HG13 ' B' ' 43' ' ' ILE . . . -81.47 -11.0 59.37 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.193 0.521 . . . . 0.0 110.912 -176.069 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -89.86 -49.57 6.54 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.097 -178.603 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 56.2 mt -67.26 -36.11 75.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.556 -179.736 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . 0.416 ' HB2' HD13 ' A' ' 96' ' ' ILE . . . -64.84 -15.05 61.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.496 -178.678 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 25.4 t -108.98 -5.8 15.94 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.174 -177.356 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -126.78 -31.08 0.78 Allowed Glycine 0 CA--C 1.518 0.276 0 C-N-CA 120.274 -0.965 . . . . 0.0 113.444 -176.283 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 80.72 -78.27 1.9 Allowed Glycine 0 N--CA 1.446 -0.677 0 N-CA-C 111.307 -0.717 . . . . 0.0 111.307 -179.343 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -121.24 -19.09 7.19 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-O 121.245 0.545 . . . . 0.0 110.455 179.543 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 4.6 m -70.79 -18.86 62.74 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.87 -176.62 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -90.64 -16.15 29.16 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.971 -176.493 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 54' ' ' LEU . . . . . 0.427 ' N ' ' HD2' ' B' ' 55' ' ' PRO . 55.5 mt -53.75 -58.09 14.68 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.984 -175.052 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 55' ' ' PRO . . . . . 0.427 ' HD2' ' N ' ' B' ' 54' ' ' LEU . 18.7 Cg_endo -60.59 -25.96 81.87 Favored 'Trans proline' 0 C--N 1.351 0.703 0 C-N-CA 122.095 1.863 . . . . 0.0 112.439 -176.903 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 18.6 m -87.1 -34.07 19.25 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.145 0.498 . . . . 0.0 111.107 -177.537 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 73.1 t -82.18 -41.08 17.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.43 -175.701 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 58' ' ' ILE . . . . . 0.5 HG12 HD23 ' B' ' 83' ' ' LEU . 85.4 mt -55.91 -40.5 62.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-O 121.1 0.476 . . . . 0.0 110.303 175.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 8.0 t -64.54 -43.15 94.89 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.245 -178.44 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -63.88 -47.6 80.02 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.596 -0.729 . . . . 0.0 111.482 -179.501 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 44.9 mt -67.27 -47.05 82.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.108 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 62' ' ' TYR . . . . . 0.486 ' O ' HG21 ' B' ' 66' ' ' VAL . 44.5 t80 -55.66 -52.28 64.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.567 -177.522 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 22.6 t -60.17 -33.9 72.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.017 0.437 . . . . 0.0 110.335 179.144 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -67.78 -38.81 89.88 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.971 -0.633 . . . . 0.0 112.14 179.732 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 65' ' ' VAL . . . . . 0.44 ' O ' ' HB3' ' B' ' 68' ' ' SER . 69.2 t -73.72 -41.67 54.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-O 120.958 0.409 . . . . 0.0 111.001 178.63 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 66' ' ' VAL . . . . . 0.486 HG21 ' O ' ' B' ' 62' ' ' TYR . 93.4 t -61.8 -35.79 69.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.99 -178.893 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.28 -12.18 59.44 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.727 177.197 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 68' ' ' SER . . . . . 0.44 ' HB3' ' O ' ' B' ' 65' ' ' VAL . 43.8 t -83.62 -8.98 59.19 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.856 -179.783 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 88.67 30.45 15.46 Favored Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.582 -0.818 . . . . 0.0 112.338 179.272 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . 0.421 HG12 HG13 ' B' ' 65' ' ' VAL . 13.3 p -82.1 161.5 3.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 N-CA-C 109.998 -0.371 . . . . 0.0 109.998 179.099 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 36.4 t -68.29 154.16 42.31 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 175.611 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 5.7 p -57.11 -63.57 1.17 Allowed 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.421 0.526 . . . . 0.0 112.421 -172.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -72.13 -21.93 61.4 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.082 0.468 . . . . 0.0 110.514 -176.739 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 74' ' ' GLU . . . . . 0.424 ' HA ' ' CE1' ' B' ' 23' ' ' TYR . 42.5 tt0 -72.0 -30.19 64.98 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.378 178.878 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.97 -33.59 72.14 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.135 178.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 76' ' ' LEU . . . . . 0.415 ' CD1' HD12 ' B' ' 80' ' ' LEU . 2.0 tm? -58.06 -52.57 64.99 Favored 'General case' 0 C--N 1.332 -0.154 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 179.062 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 77' ' ' ILE . . . . . 0.686 ' O ' ' HG ' ' B' ' 81' ' ' LEU . 37.8 mm -60.94 -55.06 27.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.432 -0.803 . . . . 0.0 110.734 -178.833 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 78' ' ' GLN . . . . . 0.472 ' HB2' ' HB3' ' B' ' 26' ' ' ALA . 37.2 tp60 -54.06 -48.16 70.87 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.447 -179.357 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.05 -38.88 89.45 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.184 -178.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 80' ' ' LEU . . . . . 0.639 ' O ' HD21 ' B' ' 84' ' ' LEU . 5.3 mt -68.87 -42.83 76.49 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.908 -0.317 . . . . 0.0 111.198 179.843 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . 0.686 ' HG ' ' O ' ' B' ' 77' ' ' ILE . 59.5 mt -60.87 -35.03 75.54 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.13 0.49 . . . . 0.0 110.487 -179.619 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -66.96 -41.37 87.02 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.83 173.443 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 83' ' ' LEU . . . . . 0.533 ' O ' ' HG ' ' B' ' 87' ' ' LEU . 49.2 tp -64.35 -42.03 96.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.0 0.429 . . . . 0.0 110.463 178.368 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 84' ' ' LEU . . . . . 0.639 HD21 ' O ' ' B' ' 80' ' ' LEU . 4.3 mm? -63.01 -12.4 25.7 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.46 -179.781 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 85' ' ' SER . . . . . 0.417 ' OG ' HD13 ' A' ' 108' ' ' LEU . 39.2 m -95.15 -34.66 12.18 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.802 0.334 . . . . 0.0 110.678 179.595 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -66.5 -43.55 85.0 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.239 0.542 . . . . 0.0 110.856 -176.264 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 87' ' ' LEU . . . . . 0.533 ' HG ' ' O ' ' B' ' 83' ' ' LEU . 1.2 pp -82.34 -17.45 45.65 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.553 -0.749 . . . . 0.0 112.838 -172.108 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 88' ' ' VAL . . . . . 0.444 ' N ' HD12 ' B' ' 87' ' ' LEU . 16.9 m -91.58 -27.35 4.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 C-N-CA 120.213 -0.595 . . . . 0.0 110.874 177.218 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 89' ' ' HIS . . . . . . . . . . . . . 61.9 t60 -64.71 -37.69 88.45 Favored 'General case' 0 N--CA 1.455 -0.215 0 CA-C-O 120.855 0.36 . . . . 0.0 110.032 178.174 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 90' ' ' VAL . . . . . 0.422 ' HA ' HG11 ' A' ' 99' ' ' VAL . 31.7 m -65.2 -26.19 39.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.418 -175.844 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 91' ' ' LEU . . . . . 0.435 ' HA ' ' HB1' ' B' ' 94' ' ' ALA . 3.4 mm? -65.6 -21.52 66.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.194 -179.616 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 22.3 t -64.86 -25.99 68.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.967 0.413 . . . . 0.0 110.529 -179.658 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 22.6 t -120.86 13.4 11.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.376 0.608 . . . . 0.0 110.05 178.576 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 94' ' ' ALA . . . . . 0.435 ' HB1' ' HA ' ' B' ' 91' ' ' LEU . . . -110.28 92.64 4.13 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.243 178.752 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 21.5 t -75.93 91.46 3.03 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.41 179.244 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 96' ' ' ILE . . . . . . . . . . . . . 20.5 tt -63.98 146.18 13.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.254 -0.885 . . . . 0.0 111.64 -177.258 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 97' ' ' GLY . . . . . . . . . . . . . . . -92.07 -110.4 1.78 Allowed Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 120.925 -0.655 . . . . 0.0 112.296 179.317 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 98' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -115.2 108.55 16.75 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.689 0.28 . . . . 0.0 111.035 -178.408 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 99' ' ' VAL . . . . . . . . . . . . . 2.7 m -104.03 128.62 57.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 120.908 0.385 . . . . 0.0 110.631 174.485 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 100' ' ' SER . . . . . . . . . . . . . 70.9 m -105.99 147.6 28.66 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.523 -179.779 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 36.9 m -76.6 56.5 1.14 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.11 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 9.1 p -146.17 135.97 17.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 116.074 -0.512 . . . . 0.0 109.919 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . 92.46 -1.34 72.37 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 121.05 -0.595 . . . . 0.0 112.128 179.048 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 104' ' ' VAL . . . . . . . . . . . . . 29.1 t -63.46 -31.8 54.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.576 0.227 . . . . 0.0 110.566 179.527 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -49.44 -45.22 46.26 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.332 -179.117 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 54.1 m -70.21 -23.73 62.99 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.606 -178.342 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 13.2 m -72.49 -32.0 65.82 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.201 0.524 . . . . 0.0 109.616 177.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 108' ' ' LEU . . . . . 0.529 ' O ' ' HG3' ' B' ' 112' ' ' GLN . 4.3 mm? -63.87 -27.67 69.32 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.512 175.637 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 109' ' ' ASN . . . . . 0.451 HD21 ' N ' ' B' ' 109' ' ' ASN . 0.9 OUTLIER -72.09 -39.32 69.02 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.321 -178.036 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 110' ' ' VAL . . . . . . . . . . . . . 11.7 p -80.66 -31.57 12.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 C-N-CA 120.901 -0.32 . . . . 0.0 111.373 -174.094 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 111' ' ' VAL . . . . . 0.497 HG13 ' O ' ' B' ' 108' ' ' LEU . 8.5 p -62.47 -31.24 51.21 Favored 'Isoleucine or valine' 0 C--O 1.235 0.293 0 CA-C-O 121.239 0.542 . . . . 0.0 110.258 -179.783 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 112' ' ' GLN . . . . . 0.529 ' HG3' ' O ' ' B' ' 108' ' ' LEU . 27.8 mt-30 -62.8 -30.59 71.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.434 -0.803 . . . . 0.0 111.142 -178.884 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 113' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -80.96 -32.75 34.31 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.383 -175.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 9.0 m -75.16 -40.15 59.8 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.192 -0.913 . . . . 0.0 112.125 -172.594 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 115' ' ' VAL . . . . . . . . . . . . . 8.1 p -116.01 -17.87 7.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-O 121.013 0.435 . . . . 0.0 111.592 -174.66 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 116' ' ' GLY . . . . . . . . . . . . . . . -60.91 -24.73 63.07 Favored Glycine 0 C--O 1.228 -0.253 0 C-N-CA 121.182 -0.533 . . . . 0.0 113.277 -177.635 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.84 9.12 28.7 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.816 0.341 . . . . 0.0 111.057 -179.493 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 118' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -117.31 -27.08 6.52 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.116 0.484 . . . . 0.0 109.93 177.779 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 119' ' ' VAL . . . . . 0.504 ' O ' ' HB3' ' A' ' 22' ' ' SER . 34.6 m -87.05 1.25 6.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.026 172.685 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.019 0 CA-C-N 115.086 -0.961 . . . . 0.0 110.953 177.25 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.424 ' HB3' ' O ' ' B' ' 119' ' ' VAL . 25.1 m . . . . . 0 N--CA 1.449 -0.492 0 CA-C-O 120.629 0.252 . . . . 0.0 111.426 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.419 ' OH ' ' HB3' ' A' ' 73' ' ' ASN . 0.3 OUTLIER -152.03 122.19 7.17 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 174.943 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -76.27 -22.64 54.85 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-O 121.274 0.559 . . . . 0.0 110.649 176.472 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -67.3 -27.45 73.51 Favored Glycine 0 N--CA 1.449 -0.453 0 CA-C-N 115.893 -0.594 . . . . 0.0 112.176 -178.655 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -74.88 -0.17 17.62 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.333 0.587 . . . . 0.0 109.991 177.427 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.497 HG21 ' CD1' ' A' ' 81' ' ' LEU . 3.2 t -109.31 -45.32 6.59 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.645 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.439 178.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 42.3 m-80 -64.05 -34.29 77.69 Favored 'General case' 0 N--CA 1.465 0.285 0 C-N-CA 120.718 -0.393 . . . . 0.0 110.609 -178.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 30.1 ttp180 -63.22 -12.22 26.97 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.74 -179.277 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.532 ' HB3' HD13 ' B' ' 108' ' ' LEU . 85.3 mt -69.64 -26.02 64.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.429 -179.768 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 62.0 p -75.92 -7.02 53.58 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.144 0.497 . . . . 0.0 111.143 -176.567 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 39.1 t -81.88 166.89 19.53 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.017 179.223 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.27 -14.44 49.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.185 179.124 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -55.92 -63.08 1.29 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.869 178.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.444 ' O ' HG21 ' A' ' 39' ' ' VAL . . . -61.28 -51.69 67.84 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.615 -0.721 . . . . 0.0 111.46 -177.757 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.59 -13.32 20.89 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.949 0.404 . . . . 0.0 111.861 -177.289 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 34.3 t -89.8 -19.95 24.08 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.464 -0.334 . . . . 0.0 111.559 175.572 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.581 ' HD2' ' OE1' ' A' ' 82' ' ' GLU . 55.3 mtt180 -104.21 -54.14 2.6 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.551 -0.536 . . . . 0.0 109.551 -177.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.444 HG21 ' O ' ' A' ' 35' ' ' ALA . 61.9 t -51.23 -43.51 28.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 114.834 -1.075 . . . . 0.0 111.704 -178.732 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 2.8 m -72.53 -8.04 53.1 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.58 -175.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 28.4 t -95.0 -12.97 25.71 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.884 0.85 . . . . 0.0 109.17 174.807 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 12.2 m120 -98.96 -26.55 14.22 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.033 -0.985 . . . . 0.0 110.162 -174.31 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.585 HG13 ' N ' ' A' ' 44' ' ' ALA . 8.9 pt -55.38 -41.58 62.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.309 -0.859 . . . . 0.0 111.285 179.272 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.585 ' N ' HG13 ' A' ' 43' ' ' ILE . . . -80.43 -3.18 48.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.058 0.456 . . . . 0.0 110.841 -176.384 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -100.95 -52.43 3.29 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.394 178.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.45 ' HA ' ' CB ' ' A' ' 53' ' ' ALA . 45.1 mt -64.47 -34.09 67.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.712 -178.797 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.78 -17.91 63.54 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.733 -179.345 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 32.7 t -98.88 -29.08 13.15 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.192 -176.562 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -105.78 -27.6 5.66 Favored Glycine 0 CA--C 1.518 0.241 0 C-N-CA 120.4 -0.905 . . . . 0.0 113.155 -176.768 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 75.02 -78.84 1.04 Allowed Glycine 0 N--CA 1.447 -0.622 0 N-CA-C 111.315 -0.714 . . . . 0.0 111.315 -177.7 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -110.59 -29.19 8.14 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-O 121.358 0.599 . . . . 0.0 110.226 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 13.9 m -72.21 -11.71 60.85 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.788 -177.6 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.45 ' CB ' ' HA ' ' A' ' 46' ' ' ILE . . . -94.47 -13.72 25.89 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.776 -178.761 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 49.7 mt -55.64 -57.82 19.04 Favored Pre-proline 0 CA--C 1.534 0.36 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.696 -178.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -66.45 -24.25 49.7 Favored 'Trans proline' 0 C--N 1.352 0.749 0 C-N-CA 121.884 1.723 . . . . 0.0 112.342 -179.301 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.9 m -77.74 -31.29 52.04 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.071 0.462 . . . . 0.0 110.74 -179.659 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 68.9 t -96.73 -43.16 12.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.609 -174.105 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.413 HG12 ' HG ' ' A' ' 83' ' ' LEU . 47.2 mt -56.89 -42.08 77.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.699 0.285 . . . . 0.0 110.862 -179.808 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 70.4 m -70.61 -15.24 62.73 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.051 0.453 . . . . 0.0 111.103 -178.403 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 74.7 m-20 -82.54 -49.36 9.97 Favored 'General case' 0 CA--C 1.516 -0.333 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.528 173.542 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.462 ' O ' HG21 ' A' ' 65' ' ' VAL . 34.2 mt -67.47 -46.79 82.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.907 -178.674 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.517 ' O ' HG21 ' A' ' 66' ' ' VAL . 49.4 t80 -54.9 -56.31 20.96 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.686 -177.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 26.0 t -61.47 -29.8 70.2 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.501 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -65.12 -44.68 93.74 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.871 -0.681 . . . . 0.0 111.638 178.195 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.462 HG21 ' O ' ' A' ' 61' ' ' ILE . 24.4 t -71.76 -40.2 69.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-O 120.911 0.386 . . . . 0.0 110.548 178.865 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.517 HG21 ' O ' ' A' ' 62' ' ' TYR . 89.6 t -63.96 -31.7 54.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.702 178.673 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -68.32 -12.92 61.82 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.433 -0.348 . . . . 0.0 111.301 176.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 21.9 t -81.87 -14.88 55.61 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.034 0.445 . . . . 0.0 109.858 176.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 90.57 36.36 6.95 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.943 -0.646 . . . . 0.0 112.355 179.125 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.417 HG12 HG13 ' A' ' 65' ' ' VAL . 13.9 p -94.05 163.84 2.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 C-N-CA 122.14 0.176 . . . . 0.0 110.736 -179.521 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.406 ' N ' HG23 ' A' ' 70' ' ' VAL . 40.0 t -65.84 146.54 54.62 Favored 'General case' 0 C--O 1.233 0.21 0 N-CA-C 110.205 -0.294 . . . . 0.0 110.205 175.605 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 13.7 m -55.08 -46.94 75.49 Favored 'General case' 0 CA--C 1.534 0.361 0 N-CA-C 112.433 0.531 . . . . 0.0 112.433 -174.57 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . 0.419 ' HB3' ' OH ' ' A' ' 23' ' ' TYR . 0.2 OUTLIER -76.35 -33.76 58.96 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.747 -0.381 . . . . 0.0 110.74 -174.253 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -69.85 -32.62 71.11 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 178.289 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -62.55 -38.84 91.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.671 176.255 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.4 HD23 ' HB3' ' A' ' 118' ' ' TYR . 2.8 tm? -56.45 -53.76 53.63 Favored 'General case' 0 CA--C 1.518 -0.281 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.758 177.729 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.651 ' O ' ' HG ' ' A' ' 81' ' ' LEU . 40.5 mm -61.11 -54.57 33.53 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.013 -178.722 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 33.6 tp60 -52.77 -50.08 64.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.012 179.374 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.64 -40.17 94.98 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.12 -177.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.644 ' O ' HD22 ' A' ' 84' ' ' LEU . 2.3 mm? -63.42 -40.0 96.0 Favored 'General case' 0 C--O 1.22 -0.47 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.977 178.024 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.651 ' HG ' ' O ' ' A' ' 77' ' ' ILE . 25.2 mt -73.32 -33.39 65.11 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 120.816 0.341 . . . . 0.0 111.055 -176.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.581 ' OE1' ' HD2' ' A' ' 38' ' ' ARG . 43.3 mt-10 -68.43 -26.67 65.64 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.493 0.664 . . . . 0.0 110.508 171.115 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.413 ' HG ' HG12 ' A' ' 58' ' ' ILE . 3.4 tm? -76.87 -41.83 42.37 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.649 177.279 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.644 HD22 ' O ' ' A' ' 80' ' ' LEU . 4.0 mm? -70.72 -7.14 42.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.767 -0.651 . . . . 0.0 112.194 -177.648 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.456 ' CB ' HD12 ' B' ' 108' ' ' LEU . 1.0 OUTLIER -99.62 -30.89 11.86 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 120.989 0.423 . . . . 0.0 110.649 -179.932 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.497 ' O ' HG13 ' A' ' 90' ' ' VAL . . . -65.26 -46.78 79.15 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.779 -179.049 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.472 ' O ' HG23 ' A' ' 90' ' ' VAL . 1.2 pp -78.52 -13.79 59.66 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 113.275 0.843 . . . . 0.0 113.275 -172.196 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 15.7 m -94.91 -21.59 5.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 121.926 -0.484 . . . . 0.0 110.676 176.561 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . 0.412 ' CD2' HG22 ' B' ' 104' ' ' VAL . 65.1 t60 -73.8 -29.96 62.47 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 176.388 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.497 HG13 ' O ' ' A' ' 86' ' ' ALA . 15.1 m -65.76 -27.79 42.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 C-N-CA 120.594 -0.442 . . . . 0.0 111.324 -177.197 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.455 ' HA ' ' HB1' ' A' ' 94' ' ' ALA . 3.7 mm? -65.99 -19.71 65.95 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.203 179.738 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 32.9 t -57.33 -30.06 64.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.284 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 8.9 t -131.96 16.24 4.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.445 0.641 . . . . 0.0 110.126 -179.805 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . 0.493 ' HA ' ' HA ' ' B' ' 96' ' ' ILE . . . -101.38 95.56 6.58 Favored 'General case' 0 N--CA 1.446 -0.627 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.018 176.48 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 26.1 t -71.56 95.68 1.44 Allowed 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.903 -0.589 . . . . 0.0 109.764 179.055 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.466 HD11 ' HB1' ' B' ' 47' ' ' ALA . 15.1 tt -70.56 144.33 13.75 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.506 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.146 179.051 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -98.35 -90.69 1.96 Allowed Glycine 0 N--CA 1.448 -0.512 0 C-N-CA 120.921 -0.657 . . . . 0.0 112.673 -177.553 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -139.92 101.3 4.14 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.814 0.34 . . . . 0.0 111.127 -176.748 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.403 HG12 ' HA ' ' B' ' 90' ' ' VAL . 15.4 m -93.53 142.4 13.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.75 178.253 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 15.4 m -111.65 147.52 35.33 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.264 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 2.8 p -78.8 -0.87 32.21 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.937 0.399 . . . . 0.0 111.691 -178.689 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 44.9 t -97.61 114.38 34.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.473 -177.164 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 121.1 -6.41 10.96 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 121.01 -0.614 . . . . 0.0 112.477 179.081 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 42.9 t -61.82 -30.5 48.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 120.461 0.172 . . . . 0.0 110.901 179.58 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -48.72 -41.03 30.58 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.204 179.524 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 40.9 m -73.83 -27.37 61.06 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.849 -177.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 21.9 m -71.65 -30.96 66.31 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.984 0.421 . . . . 0.0 110.326 -178.062 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.539 ' O ' HG13 ' A' ' 111' ' ' VAL . 4.5 mm? -60.48 -29.87 69.34 Favored 'General case' 0 C--O 1.224 -0.249 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.688 176.397 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 16.2 m-80 -73.5 -19.86 60.82 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.336 -179.494 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 28.3 t -89.83 -36.25 8.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 120.938 0.399 . . . . 0.0 110.865 -176.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.539 HG13 ' O ' ' A' ' 108' ' ' LEU . 11.1 p -63.26 -26.99 42.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 121.43 0.633 . . . . 0.0 110.49 -179.785 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . 0.494 ' HG3' ' O ' ' A' ' 108' ' ' LEU . 22.7 mt-30 -69.13 -21.72 64.0 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.972 179.783 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -81.53 -39.72 24.24 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.807 -176.332 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 10.0 p -78.93 -39.32 35.03 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.418 -0.81 . . . . 0.0 112.318 -169.067 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 12.7 p -114.73 -18.97 7.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-O 120.822 0.344 . . . . 0.0 111.812 -173.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -61.45 -26.0 65.82 Favored Glycine 0 N--CA 1.453 -0.179 0 C-N-CA 120.874 -0.679 . . . . 0.0 112.648 -177.318 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.4 9.28 18.54 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.662 0.267 . . . . 0.0 111.43 -178.441 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . 0.4 ' HB3' HD23 ' A' ' 76' ' ' LEU . 75.7 m-85 -120.67 -31.3 4.29 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.746 0.308 . . . . 0.0 111.094 176.631 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 28.9 m . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 0.0 112.079 -178.755 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 14.6 m . . . . . 0 N--CA 1.443 -0.815 0 CA-C-O 120.608 0.242 . . . . 0.0 111.432 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 23' ' ' TYR . . . . . 0.57 ' CE1' ' HA ' ' B' ' 74' ' ' GLU . 0.2 OUTLIER -150.89 128.95 11.8 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 171.032 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -76.82 -32.82 57.86 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 120.799 0.333 . . . . 0.0 111.148 179.7 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.32 -30.48 67.84 Favored Glycine 0 N--CA 1.453 -0.217 0 C-N-CA 121.386 -0.435 . . . . 0.0 112.809 -179.458 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -72.17 -15.32 61.96 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.585 0.707 . . . . 0.0 110.013 179.162 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 27' ' ' VAL . . . . . 0.458 ' CG1' ' HA ' ' A' ' 112' ' ' GLN . 3.9 t -94.19 -40.01 11.05 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 CA-C-N 115.571 -0.741 . . . . 0.0 110.626 -177.759 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 57.9 m-80 -64.27 -28.47 69.75 Favored 'General case' 0 N--CA 1.465 0.3 0 N-CA-C 111.846 0.313 . . . . 0.0 111.846 -176.8 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 14.2 ptt180 -89.0 14.78 9.79 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.994 0.426 . . . . 0.0 111.145 -175.761 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . 0.46 HD11 ' HB3' ' B' ' 81' ' ' LEU . 96.1 mt -80.07 -26.7 39.52 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.59 177.619 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 56.0 p -71.99 -6.36 41.63 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.369 0.604 . . . . 0.0 110.536 179.793 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 67.9 m -76.96 153.01 35.01 Favored 'General case' 0 N--CA 1.441 -0.919 0 CA-C-N 115.569 -0.741 . . . . 0.0 111.052 179.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.09 -20.43 53.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.28 179.419 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -51.6 -58.29 6.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.446 176.608 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 35' ' ' ALA . . . . . 0.603 ' O ' HG22 ' B' ' 39' ' ' VAL . . . -63.88 -52.19 61.09 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.436 -0.802 . . . . 0.0 111.096 -178.521 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -57.79 -22.26 46.33 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 112.014 0.376 . . . . 0.0 112.014 -175.786 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 24.1 t -86.48 -12.41 49.02 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 111.752 0.278 . . . . 0.0 111.752 179.138 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 38' ' ' ARG . . . . . 0.549 ' HD2' ' OE1' ' B' ' 82' ' ' GLU . 59.9 mtt180 -104.21 -52.61 2.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.592 0.711 . . . . 0.0 109.112 178.689 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 39' ' ' VAL . . . . . 0.603 HG22 ' O ' ' B' ' 35' ' ' ALA . 39.6 t -55.27 -37.89 45.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 114.139 -1.391 . . . . 0.0 111.814 -176.421 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 40' ' ' SER . . . . . 0.412 ' O ' HG12 ' B' ' 43' ' ' ILE . 63.9 p -71.75 -11.58 60.89 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.917 0.389 . . . . 0.0 111.773 -177.834 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 12.8 t -94.67 -14.71 24.6 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.595 0.712 . . . . 0.0 109.335 178.012 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 11.3 m120 -93.44 -25.58 17.58 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.186 -0.915 . . . . 0.0 109.926 -174.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 43' ' ' ILE . . . . . 0.569 HG13 ' N ' ' B' ' 44' ' ' ALA . 4.9 pt -56.99 -37.34 54.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 114.978 -1.01 . . . . 0.0 111.108 -179.697 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 44' ' ' ALA . . . . . 0.569 ' N ' HG13 ' B' ' 43' ' ' ILE . . . -82.19 -2.49 52.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.614 -175.759 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -102.13 -51.12 3.46 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.962 0.411 . . . . 0.0 110.636 178.794 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 46' ' ' ILE . . . . . 0.456 ' HA ' ' CB ' ' B' ' 53' ' ' ALA . 38.1 mt -66.27 -32.68 59.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.615 -178.258 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . 0.466 ' HB1' HD11 ' A' ' 96' ' ' ILE . . . -60.22 -26.48 66.44 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.224 179.322 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 73.8 m -98.39 -42.27 7.43 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.923 -176.606 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -87.11 -22.12 46.53 Favored Glycine 0 CA--C 1.518 0.239 0 C-N-CA 120.568 -0.825 . . . . 0.0 113.198 -175.576 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 72.88 -78.2 0.77 Allowed Glycine 0 N--CA 1.448 -0.508 0 N-CA-C 111.968 -0.453 . . . . 0.0 111.968 179.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -117.28 -30.07 5.7 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-O 121.053 0.454 . . . . 0.0 110.592 -178.788 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 39.7 m -73.57 -7.33 51.45 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.315 0.579 . . . . 0.0 110.428 -179.342 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . 0.456 ' CB ' ' HA ' ' B' ' 46' ' ' ILE . . . -84.12 -25.25 29.84 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.381 179.049 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 54' ' ' LEU . . . . . 0.498 ' O ' HG13 ' B' ' 58' ' ' ILE . 52.3 mt -52.44 -58.52 11.42 Favored Pre-proline 0 CA--C 1.535 0.395 0 CA-C-N 115.882 -0.599 . . . . 0.0 112.223 -176.504 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 55' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -66.24 -13.58 40.5 Favored 'Trans proline' 0 C--N 1.352 0.714 0 C-N-CA 121.988 1.792 . . . . 0.0 112.573 -176.766 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 16.1 m -96.02 -18.25 20.36 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.798 -179.129 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . 0.403 HG23 ' O ' ' B' ' 53' ' ' ALA . 68.9 t -104.61 -40.52 6.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.36 -175.463 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 58' ' ' ILE . . . . . 0.498 HG13 ' O ' ' B' ' 54' ' ' LEU . 43.6 mt -56.27 -43.81 77.79 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.227 0 CA-C-O 120.857 0.36 . . . . 0.0 110.822 -179.07 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 22.5 t -67.5 -29.03 68.34 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.681 -177.325 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 63.9 m-20 -69.14 -49.57 55.74 Favored 'General case' 0 CA--C 1.517 -0.313 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.727 178.343 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 33.8 mt -67.59 -43.76 86.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.803 179.37 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 62' ' ' TYR . . . . . 0.488 ' O ' HG21 ' B' ' 66' ' ' VAL . 39.5 t80 -54.4 -56.44 18.65 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.715 -178.679 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 14.1 t -61.46 -30.87 70.87 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.495 -179.111 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -62.5 -44.9 96.93 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 121.199 -0.524 . . . . 0.0 111.991 178.751 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 21.1 t -75.98 -39.76 37.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 120.834 0.35 . . . . 0.0 110.928 -179.345 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 66' ' ' VAL . . . . . 0.488 HG21 ' O ' ' B' ' 62' ' ' TYR . 84.5 t -58.4 -40.43 78.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.923 0.392 . . . . 0.0 110.823 179.509 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -69.64 -11.18 60.64 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.651 179.557 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 15.3 t -84.05 -22.15 31.34 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.729 0.299 . . . . 0.0 110.47 -179.359 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 105.9 31.91 4.01 Favored Glycine 0 C--N 1.33 0.206 0 C-N-CA 120.636 -0.792 . . . . 0.0 112.595 -179.227 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . 0.412 HG11 ' HA ' ' B' ' 66' ' ' VAL . 11.6 p -85.46 160.36 3.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 178.139 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 46.9 t -64.89 142.84 58.3 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 174.04 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 3.7 m -51.39 -51.72 52.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 112.171 -174.436 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -80.14 -23.81 40.89 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.93 0.395 . . . . 0.0 110.555 -174.578 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 74' ' ' GLU . . . . . 0.57 ' HA ' ' CE1' ' B' ' 23' ' ' TYR . 38.4 tt0 -72.79 -27.17 61.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.222 179.034 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.63 -36.68 81.47 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.387 179.527 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -58.9 -48.98 79.51 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.795 0.331 . . . . 0.0 110.266 179.338 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 77' ' ' ILE . . . . . 0.717 ' O ' ' HG ' ' B' ' 81' ' ' LEU . 32.9 mm -63.06 -55.42 23.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.872 -179.397 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 78' ' ' GLN . . . . . . . . . . . . . 28.5 tp60 -53.88 -50.11 67.05 Favored 'General case' 0 C--N 1.33 -0.267 0 O-C-N 123.326 0.391 . . . . 0.0 111.313 179.536 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.28 -36.78 83.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.135 -178.226 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 80' ' ' LEU . . . . . 0.636 ' O ' HD22 ' B' ' 84' ' ' LEU . 6.8 mt -69.75 -42.41 73.93 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.864 -0.334 . . . . 0.0 110.831 177.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . 0.717 ' HG ' ' O ' ' B' ' 77' ' ' ILE . 61.0 mt -57.29 -43.21 82.97 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.19 0.519 . . . . 0.0 110.433 178.647 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 82' ' ' GLU . . . . . 0.549 ' OE1' ' HD2' ' B' ' 38' ' ' ARG . 43.4 mt-10 -65.77 -38.25 88.54 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.717 176.649 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 83' ' ' LEU . . . . . 0.489 HD21 HG12 ' B' ' 58' ' ' ILE . 38.9 tp -64.21 -43.13 95.97 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.184 0.516 . . . . 0.0 110.573 178.587 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 84' ' ' LEU . . . . . 0.636 HD22 ' O ' ' B' ' 80' ' ' LEU . 4.2 mm? -65.78 -8.02 19.15 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.355 -0.839 . . . . 0.0 111.707 -178.211 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 85' ' ' SER . . . . . 0.429 ' OG ' HD11 ' A' ' 108' ' ' LEU . 20.5 m -97.91 -27.36 14.31 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 120.819 0.343 . . . . 0.0 110.871 179.136 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -74.71 -45.31 45.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.406 0.622 . . . . 0.0 110.669 -177.088 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 87' ' ' LEU . . . . . 0.473 HD12 ' N ' ' B' ' 88' ' ' VAL . 1.1 pp -78.15 -18.86 55.04 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.402 -0.817 . . . . 0.0 112.687 -172.634 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 88' ' ' VAL . . . . . 0.473 ' N ' HD12 ' B' ' 87' ' ' LEU . 17.0 m -89.62 -26.63 5.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 C-N-CA 120.383 -0.527 . . . . 0.0 110.73 177.586 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 89' ' ' HIS . . . . . . . . . . . . . 45.6 t60 -67.72 -35.43 78.77 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.051 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 90' ' ' VAL . . . . . 0.403 ' HA ' HG12 ' A' ' 99' ' ' VAL . 27.5 m -66.44 -26.01 36.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.591 -175.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 91' ' ' LEU . . . . . 0.461 ' HA ' ' HB1' ' B' ' 94' ' ' ALA . 3.3 mm? -66.28 -22.57 66.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.673 -0.239 . . . . 0.0 110.934 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 31.2 t -57.7 -31.78 66.72 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.412 179.295 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 10.4 t -123.51 19.84 9.58 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-O 121.593 0.711 . . . . 0.0 109.889 -179.602 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 94' ' ' ALA . . . . . 0.461 ' HB1' ' HA ' ' B' ' 91' ' ' LEU . . . -110.53 94.81 5.19 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.096 176.433 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 22.7 t -76.47 94.02 3.62 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.223 0.535 . . . . 0.0 109.868 -179.199 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 96' ' ' ILE . . . . . 0.493 ' HA ' ' HA ' ' A' ' 94' ' ' ALA . 12.8 tt -72.28 149.86 8.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.124 177.868 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 97' ' ' GLY . . . . . . . . . . . . . . . -84.53 -86.82 0.89 Allowed Glycine 0 N--CA 1.451 -0.339 0 N-CA-C 110.651 -0.979 . . . . 0.0 110.651 172.736 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 98' ' ' ASN . . . . . . . . . . . . . 57.7 t30 -153.3 149.87 28.34 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 108.814 -0.81 . . . . 0.0 108.814 169.766 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 99' ' ' VAL . . . . . 0.495 HG12 ' HA ' ' A' ' 90' ' ' VAL . 3.6 m -127.12 120.45 55.41 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.834 0 CA-C-O 121.168 0.508 . . . . 0.0 110.602 178.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 100' ' ' SER . . . . . . . . . . . . . 48.5 m -84.51 156.22 21.79 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.679 -0.692 . . . . 0.0 110.927 -177.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 16.9 m -77.83 38.39 0.26 Allowed 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.686 -176.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 56.8 t -124.66 120.44 58.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.13 -176.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . 106.84 -9.84 40.6 Favored Glycine 0 N--CA 1.447 -0.575 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.559 178.443 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 104' ' ' VAL . . . . . 0.412 HG22 ' CD2' ' A' ' 89' ' ' HIS . 21.9 t -63.26 -31.99 54.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 120.631 0.253 . . . . 0.0 110.392 179.856 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -48.46 -45.15 36.24 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.54 179.745 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 12.8 m -74.73 -23.74 58.61 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.198 -0.91 . . . . 0.0 111.616 -177.775 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 25.1 m -75.57 -31.89 60.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.024 0.44 . . . . 0.0 109.944 -178.089 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 108' ' ' LEU . . . . . 0.586 ' O ' HG12 ' B' ' 111' ' ' VAL . 3.9 mm? -57.34 -38.06 73.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.516 175.388 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 109' ' ' ASN . . . . . . . . . . . . . 20.0 m-80 -66.29 -24.32 66.53 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.199 -178.727 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 110' ' ' VAL . . . . . . . . . . . . . 29.0 t -81.79 -42.56 19.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.953 0.406 . . . . 0.0 110.587 -178.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 111' ' ' VAL . . . . . 0.586 HG12 ' O ' ' B' ' 108' ' ' LEU . 9.8 p -62.71 -28.37 44.76 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.269 0 CA-C-O 121.296 0.57 . . . . 0.0 110.387 -177.87 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 112' ' ' GLN . . . . . 0.567 ' HG3' ' O ' ' B' ' 108' ' ' LEU . 26.2 mt-30 -66.4 -29.39 69.54 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.991 179.883 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 113' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -73.25 -34.89 66.1 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.479 -175.07 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 5.9 m -82.63 -35.89 26.57 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.412 -0.813 . . . . 0.0 112.184 -170.358 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 115' ' ' VAL . . . . . 0.476 HG11 HD23 ' A' ' 81' ' ' LEU . 12.5 p -108.66 -23.22 4.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 C-N-CA 120.917 -0.313 . . . . 0.0 111.783 -172.138 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 116' ' ' GLY . . . . . . . . . . . . . . . -59.2 -25.56 60.23 Favored Glycine 0 C--N 1.332 0.361 0 C-N-CA 121.383 -0.437 . . . . 0.0 113.163 -175.528 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.16 2.25 44.44 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 112.041 0.385 . . . . 0.0 112.041 -177.784 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 118' ' ' TYR . . . . . . . . . . . . . 71.6 m-85 -117.55 -30.52 5.48 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.721 0.296 . . . . 0.0 110.989 177.23 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 119' ' ' VAL . . . . . 0.424 ' O ' ' HB3' ' A' ' 22' ' ' SER . 29.6 m -85.77 -2.3 7.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.318 179.605 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.255 1.467 0 N-CA-C 109.983 -1.247 . . . . 0.0 109.983 177.029 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.846 0 N-CA-C 111.867 -0.493 . . . . 0.0 111.867 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 35.2 p -149.8 -31.65 0.21 Allowed 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.82 0.343 . . . . 0.0 111.277 -178.286 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . 86.46 -53.88 4.61 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.851 -0.69 . . . . 0.0 111.814 -177.272 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' -2' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -67.64 97.26 0.6 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.955 0.407 . . . . 0.0 110.619 177.613 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 15.9 m -100.27 135.77 41.19 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 176.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 38.8 t -125.84 -76.35 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 120.751 0.31 . . . . 0.0 110.867 -177.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 10.5 t -171.74 171.3 5.29 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 -176.743 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.5 p -161.35 147.95 14.54 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.734 0.302 . . . . 0.0 110.791 -178.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -93.92 175.16 35.03 Favored Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.686 -0.769 . . . . 0.0 111.87 178.61 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -78.36 64.26 3.53 Favored Glycine 0 N--CA 1.453 -0.184 0 C-N-CA 120.974 -0.632 . . . . 0.0 112.643 -179.232 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 35.0 p90 -167.95 -179.02 3.99 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 179.234 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 78.67 -72.71 2.36 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.859 -0.686 . . . . 0.0 112.709 177.058 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.489 ' CE2' ' HB ' ' B' ' 2' ' ' THR . 64.6 m-85 -73.51 -29.45 62.5 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.379 0.609 . . . . 0.0 109.887 -179.763 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -170.37 132.37 2.48 Favored Glycine 0 N--CA 1.442 -0.937 0 CA-C-N 115.077 -0.965 . . . . 0.0 111.288 178.288 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 38.0 p -122.45 -70.33 0.78 Allowed 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.681 -0.488 . . . . 0.0 109.681 177.505 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 34.8 p -158.17 165.77 34.1 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.544 -0.753 . . . . 0.0 109.15 175.558 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.433 ' H ' ' C ' ' B' ' 120' ' ' GLY . . . 65.86 53.14 1.17 Allowed 'General case' 0 N--CA 1.463 0.205 0 O-C-N 123.677 0.61 . . . . 0.0 110.612 -176.372 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -128.64 177.92 6.69 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.299 -176.129 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -84.73 -48.27 9.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.003 179.416 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.531 ' HA3' ' N ' ' A' ' 25' ' ' GLY . . . 126.56 -163.57 20.43 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.181 -1.009 . . . . 0.0 113.227 175.533 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 63.9 85.0 0.14 Allowed 'General case' 0 C--O 1.232 0.145 0 C-N-CA 123.244 0.617 . . . . 0.0 111.457 -179.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 57.96 53.91 41.66 Favored Glycine 0 CA--C 1.521 0.459 0 CA-C-N 115.558 -0.746 . . . . 0.0 113.094 -179.029 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.428 ' CG2' ' HA ' ' A' ' 23' ' ' TYR . 0.2 OUTLIER -93.27 -59.51 3.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 N-CA-C 111.869 0.322 . . . . 0.0 111.869 179.003 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -108.33 -174.16 2.45 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 110.086 -0.339 . . . . 0.0 110.086 -178.512 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -69.33 -46.71 66.43 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.127 -177.621 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.467 ' CA ' ' HA3' ' B' ' 21' ' ' GLY . . . -133.58 7.82 4.94 Favored Glycine 0 CA--C 1.506 -0.47 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.098 179.485 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.424 ' O ' HG22 ' A' ' 18' ' ' VAL . 18.8 m -117.55 127.75 54.28 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-O 120.893 0.377 . . . . 0.0 110.977 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.428 ' HA ' ' CG2' ' A' ' 18' ' ' VAL . 0.2 OUTLIER -147.15 125.78 12.53 Favored 'General case' 0 N--CA 1.447 -0.582 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.787 178.072 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.424 ' HB1' ' HA3' ' B' ' 120' ' ' GLY . . . -86.21 -16.84 36.46 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 111.99 0.367 . . . . 0.0 111.99 -175.881 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.531 ' N ' ' HA3' ' A' ' 15' ' ' GLY . . . -64.58 -30.6 78.35 Favored Glycine 0 CA--C 1.511 -0.17 0 C-N-CA 120.597 -0.811 . . . . 0.0 111.533 -178.299 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.454 ' HB2' ' HB2' ' A' ' 78' ' ' GLN . . . -67.89 -16.88 64.29 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 114.942 -0.629 . . . . 0.0 110.949 176.44 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.512 HG21 ' CD1' ' A' ' 81' ' ' LEU . 2.9 t -95.44 -41.66 11.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.868 -175.432 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 31.7 m-80 -68.25 -20.06 64.77 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.278 -0.569 . . . . 0.0 110.526 -178.345 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 65.9 ttt180 -77.25 -5.62 50.02 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.095 179.68 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.415 HD13 ' HG2' ' B' ' 112' ' ' GLN . 72.9 mt -76.38 -27.71 56.48 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.211 -178.871 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 43.3 p -81.18 9.27 7.13 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.56 0.695 . . . . 0.0 110.207 178.558 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 44.2 t -97.46 152.75 18.66 Favored 'General case' 0 N--CA 1.444 -0.753 0 CA-C-N 115.012 -0.995 . . . . 0.0 109.227 177.527 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.32 -18.35 61.17 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.05 0.452 . . . . 0.0 111.381 -177.195 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -54.3 -58.09 8.73 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.663 178.547 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.605 ' O ' HG23 ' A' ' 39' ' ' VAL . . . -59.95 -51.98 67.34 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.478 177.735 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -51.26 -34.03 30.89 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.971 -0.558 . . . . 0.0 111.925 -176.174 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 50.2 m -72.69 -24.62 61.04 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.96 -178.36 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.489 ' HD2' ' OE1' ' A' ' 82' ' ' GLU . 73.3 mtt180 -98.2 -45.12 6.32 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.799 0.809 . . . . 0.0 109.437 -176.483 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.605 HG23 ' O ' ' A' ' 35' ' ' ALA . 42.0 t -61.97 -43.47 97.61 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.851 0 CA-C-N 114.293 -1.321 . . . . 0.0 111.278 -176.477 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.455 ' O ' HG12 ' A' ' 43' ' ' ILE . 96.6 p -75.16 -11.26 60.04 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.012 0.434 . . . . 0.0 111.07 -178.167 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 35.8 t -87.5 -17.64 31.66 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.069 0.461 . . . . 0.0 110.082 -179.727 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 41.8 m-80 -114.43 -1.63 13.43 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.29 -174.14 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.459 HG13 ' N ' ' A' ' 44' ' ' ALA . 4.2 pt -57.92 -41.31 79.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.931 176.526 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.459 ' N ' HG13 ' A' ' 43' ' ' ILE . . . -78.01 -11.79 59.93 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.993 -176.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -84.47 -53.1 5.66 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.226 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 50.2 mt -64.48 -33.78 65.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.34 179.517 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.84 -24.65 67.89 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.493 179.642 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 33.1 t -95.08 -42.66 8.49 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.263 -177.446 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -88.91 -22.73 37.8 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.488 -0.863 . . . . 0.0 113.205 -175.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 73.43 -77.14 0.91 Allowed Glycine 0 N--CA 1.449 -0.469 0 N-CA-C 111.522 -0.631 . . . . 0.0 111.522 -178.113 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -119.97 -20.28 7.55 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-O 121.258 0.552 . . . . 0.0 110.065 178.395 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 12.8 m -74.19 -11.23 60.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.767 -178.298 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -93.44 -15.65 25.38 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.777 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.434 ' N ' ' HD2' ' A' ' 55' ' ' PRO . 54.1 mt -55.52 -57.11 22.66 Favored Pre-proline 0 CA--C 1.535 0.376 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.969 -176.768 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.434 ' HD2' ' N ' ' A' ' 54' ' ' LEU . 17.9 Cg_endo -61.42 -20.34 68.02 Favored 'Trans proline' 0 C--N 1.352 0.733 0 C-N-CA 122.253 1.969 . . . . 0.0 112.484 -177.262 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 15.1 m -89.28 -43.94 10.6 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.96 0.41 . . . . 0.0 110.781 179.628 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 76.7 t -76.58 -39.75 32.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.545 -172.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.432 HG12 ' HG ' ' A' ' 83' ' ' LEU . 57.3 mt -60.27 -36.54 69.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.098 176.362 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 37.8 t -68.87 -39.6 79.75 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 116.136 -0.484 . . . . 0.0 109.94 179.651 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -60.8 -47.69 85.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.655 178.64 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 63.0 mt -74.54 -45.98 43.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 115.659 -0.7 . . . . 0.0 111.752 -175.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.406 ' O ' HG22 ' A' ' 66' ' ' VAL . 61.7 t80 -54.54 -50.74 67.18 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.657 -0.247 . . . . 0.0 111.308 -177.392 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 32.9 t -60.56 -31.38 70.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.941 0.401 . . . . 0.0 110.456 179.69 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -69.04 -38.72 84.45 Favored Glycine 0 N--CA 1.448 -0.544 0 C-N-CA 120.757 -0.735 . . . . 0.0 111.587 -179.471 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.487 HG11 HG12 ' A' ' 70' ' ' VAL . 48.7 t -72.43 -46.0 57.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 120.892 0.377 . . . . 0.0 110.94 179.301 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.406 HG22 ' O ' ' A' ' 62' ' ' TYR . 59.0 t -62.24 -30.72 49.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.898 -178.76 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.01 -19.32 62.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.956 -0.565 . . . . 0.0 112.017 179.284 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 22.9 m -75.79 -21.67 57.15 Favored 'General case' 0 N--CA 1.445 -0.691 0 CA-C-O 120.936 0.398 . . . . 0.0 111.237 178.727 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 93.0 42.34 4.4 Favored Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 120.628 -0.796 . . . . 0.0 111.721 -175.756 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.487 HG12 HG11 ' A' ' 65' ' ' VAL . 9.8 p -100.02 157.9 3.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 179.065 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 42.0 t -57.81 140.59 51.36 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 110.309 -0.256 . . . . 0.0 110.309 176.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 4.4 m -53.46 -44.83 69.24 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.964 0.412 . . . . 0.0 111.845 -176.086 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -76.47 -32.93 58.67 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.717 -174.561 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -75.21 -30.28 60.56 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.045 0.45 . . . . 0.0 109.859 177.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.76 -39.7 92.53 Favored 'General case' 0 CA--C 1.519 -0.247 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.61 175.173 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.44 ' O ' HD21 ' A' ' 80' ' ' LEU . 2.9 tm? -54.24 -49.3 69.79 Favored 'General case' 0 CA--C 1.517 -0.301 0 CA-C-N 115.802 -0.636 . . . . 0.0 109.494 177.094 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.67 ' O ' ' HG ' ' A' ' 81' ' ' LEU . 41.6 mm -62.3 -55.13 25.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 115.51 -0.768 . . . . 0.0 111.227 -177.669 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . 0.454 ' HB2' ' HB2' ' A' ' 26' ' ' ALA . 53.5 tt0 -56.22 -50.13 72.14 Favored 'General case' 0 CA--C 1.52 -0.188 0 CA-C-O 120.885 0.374 . . . . 0.0 110.858 -178.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.11 -40.1 88.53 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.58 -0.736 . . . . 0.0 111.124 -178.279 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.672 ' O ' ' HG ' ' A' ' 84' ' ' LEU . 3.3 mm? -65.1 -43.35 92.36 Favored 'General case' 0 C--O 1.221 -0.398 0 CA-C-N 116.635 -0.257 . . . . 0.0 110.594 175.455 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.67 ' HG ' ' O ' ' A' ' 77' ' ' ILE . 45.2 mt -65.72 -40.04 91.79 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.519 0.199 . . . . 0.0 111.329 -178.094 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.489 ' OE1' ' HD2' ' A' ' 38' ' ' ARG . 51.3 mt-10 -61.68 -40.23 94.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.215 0.531 . . . . 0.0 109.751 172.827 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.432 ' HG ' HG12 ' A' ' 58' ' ' ILE . 3.4 tm? -62.31 -43.56 98.53 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.393 177.501 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.672 ' HG ' ' O ' ' A' ' 80' ' ' LEU . 13.3 mt -63.53 -16.16 59.98 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.274 -177.19 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 36.3 m -92.74 -29.62 15.94 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 120.836 0.351 . . . . 0.0 111.234 -173.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -69.27 -43.37 74.02 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.322 0.582 . . . . 0.0 110.659 -177.441 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.436 HD13 ' N ' ' A' ' 88' ' ' VAL . 1.3 pp -82.39 -16.55 48.67 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.464 -0.789 . . . . 0.0 112.948 -172.107 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.436 ' N ' HD13 ' A' ' 87' ' ' LEU . 15.8 m -91.02 -23.61 5.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 C-N-CA 120.094 -0.642 . . . . 0.0 110.485 177.756 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 60.1 t60 -72.53 -35.61 68.1 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.106 178.383 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 33.2 m -65.74 -27.13 40.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.208 -176.346 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.436 ' HA ' ' HB1' ' A' ' 94' ' ' ALA . 3.0 mm? -65.92 -22.84 66.52 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.651 0.262 . . . . 0.0 111.523 -179.498 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 27.0 t -63.98 -30.19 71.28 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.3 0.571 . . . . 0.0 110.354 179.472 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 23.8 m -106.1 -25.84 11.86 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.079 -179.376 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . 0.436 ' HB1' ' HA ' ' A' ' 91' ' ' LEU . . . -72.47 100.24 2.67 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.45 -0.795 . . . . 0.0 111.149 -179.658 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 5.2 p -71.76 89.29 1.03 Allowed 'General case' 0 N--CA 1.424 -1.751 0 CA-C-N 115.196 -0.911 . . . . 0.0 110.155 176.292 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.436 HD12 ' HB3' ' B' ' 47' ' ' ALA . 19.4 tt -70.42 142.78 15.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-O 120.918 0.389 . . . . 0.0 111.43 -177.51 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -92.21 -104.28 1.5 Allowed Glycine 0 N--CA 1.446 -0.652 0 C-N-CA 120.805 -0.712 . . . . 0.0 111.891 177.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -129.3 117.29 20.43 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.944 0.402 . . . . 0.0 110.532 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 6.2 m -97.32 137.45 24.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.989 178.542 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 12.8 m -93.44 152.82 18.85 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.169 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 14.9 m -86.72 28.58 0.87 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.979 0.419 . . . . 0.0 110.839 -179.58 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 7.2 p -127.86 137.66 56.94 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.484 0 CA-C-O 121.05 0.452 . . . . 0.0 110.256 -176.328 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 98.98 -8.59 61.22 Favored Glycine 0 N--CA 1.449 -0.497 0 CA-C-N 115.756 -0.656 . . . . 0.0 112.253 179.107 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.403 ' O ' HD12 ' A' ' 108' ' ' LEU . 24.9 t -57.0 -37.26 53.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 175.679 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -51.76 -45.37 63.7 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.159 -0.928 . . . . 0.0 110.476 176.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 14.7 m -73.84 -37.56 64.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.439 -0.8 . . . . 0.0 111.118 -177.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 24.0 m -60.95 -38.58 86.35 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-O 121.171 0.51 . . . . 0.0 110.176 178.618 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.586 ' O ' ' HG3' ' A' ' 112' ' ' GLN . 3.6 mt -58.45 -33.38 69.67 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.472 -0.785 . . . . 0.0 111.316 177.288 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . 0.422 ' N ' HD21 ' A' ' 109' ' ' ASN . 0.9 OUTLIER -67.1 -24.32 65.93 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.913 0.387 . . . . 0.0 110.633 179.754 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 38.2 t -85.51 -39.86 14.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.98 -177.039 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.575 HG11 ' O ' ' A' ' 108' ' ' LEU . 9.0 p -61.6 -29.03 45.26 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.304 0 CA-C-O 121.383 0.611 . . . . 0.0 110.195 -178.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . 0.586 ' HG3' ' O ' ' A' ' 108' ' ' LEU . 24.7 mt-30 -66.62 -24.67 66.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.386 -0.824 . . . . 0.0 111.099 -179.511 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -79.27 -37.72 37.19 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.379 -176.048 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 4.3 m -75.8 -45.69 34.7 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.169 -0.923 . . . . 0.0 112.155 -171.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . 0.424 HG13 HD22 ' B' ' 81' ' ' LEU . 11.6 p -109.63 -18.44 7.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-O 120.906 0.384 . . . . 0.0 111.68 -172.81 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -60.31 -26.89 64.62 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 121.024 -0.607 . . . . 0.0 112.553 -178.432 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.1 -3.49 58.12 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 111.456 0.169 . . . . 0.0 111.456 -179.285 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 67.7 m-85 -106.68 -32.4 8.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.951 0.405 . . . . 0.0 110.282 178.161 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 32.8 m -88.38 -5.99 10.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.462 176.655 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.603 0 C-N-CA 120.979 -0.629 . . . . 0.0 112.136 177.565 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 N-CA-C 111.882 -0.487 . . . . 0.0 111.882 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' -4' ' ' SER . . . . . . . . . . . . . 5.7 p -104.89 6.32 33.64 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.152 0.501 . . . . 0.0 111.085 -179.684 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' -3' ' ' GLY . . . . . . . . . . . . . . . 89.66 -61.15 3.51 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 120.798 -0.715 . . . . 0.0 111.54 -176.578 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' -2' ' ' ASN . . . . . . . . . . . . . 27.1 p30 -110.36 160.42 16.58 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 110.083 -0.34 . . . . 0.0 110.083 175.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' -1' ' ' SER . . . . . . . . . . . . . 64.2 m -146.43 102.93 3.64 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.128 0.489 . . . . 0.0 111.005 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 31.0 t -99.64 147.07 7.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 174.656 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' THR . . . . . 0.489 ' HB ' ' CE2' ' A' ' 8' ' ' TYR . 14.5 t -58.29 153.59 15.06 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.398 0.618 . . . . 0.0 112.664 -173.622 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 16.9 p -149.47 166.17 29.93 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.287 -0.87 . . . . 0.0 109.855 179.259 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -72.03 152.17 48.27 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.987 -0.625 . . . . 0.0 112.42 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -77.9 63.79 3.45 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 121.322 -0.466 . . . . 0.0 113.368 -176.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' TYR . . . . . . . . . . . . . 21.9 p90 -135.52 -173.02 3.23 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 177.45 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . 83.65 -60.56 4.85 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.852 177.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 33.1 m-85 -61.95 -69.58 0.24 Allowed 'General case' 0 C--O 1.234 0.25 0 CA-C-O 121.233 0.54 . . . . 0.0 110.728 -178.226 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -144.08 83.11 0.2 Allowed Glycine 0 N--CA 1.445 -0.719 0 N-CA-C 111.087 -0.805 . . . . 0.0 111.087 176.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 75.0 p -65.42 -43.36 90.75 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.823 0.344 . . . . 0.0 111.564 -174.504 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 32.9 p -160.14 162.24 33.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.516 -178.53 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . 62.42 16.21 8.42 Favored 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 123.291 0.636 . . . . 0.0 111.934 176.028 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -86.35 150.7 24.15 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.972 -176.588 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.75 -43.72 97.62 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.547 -178.525 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' GLY . . . . . 0.556 ' HA3' ' N ' ' B' ' 25' ' ' GLY . . . 132.37 -163.53 24.0 Favored Glycine 0 N--CA 1.447 -0.583 0 C-N-CA 120.224 -0.989 . . . . 0.0 112.903 176.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . 64.62 86.88 0.12 Allowed 'General case' 0 C--O 1.232 0.158 0 C-N-CA 123.126 0.57 . . . . 0.0 111.372 -178.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 56.76 47.71 83.56 Favored Glycine 0 CA--C 1.519 0.331 0 CA-C-N 115.595 -0.73 . . . . 0.0 113.156 179.518 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 1.2 m -87.1 -44.0 16.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 120.798 0.332 . . . . 0.0 111.793 -179.637 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -124.59 175.97 6.83 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 116.276 -0.42 . . . . 0.0 109.925 179.509 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.56 -45.74 89.08 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.236 -178.638 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . 0.467 ' HA3' ' CA ' ' A' ' 21' ' ' GLY . . . -137.55 33.32 2.29 Favored Glycine 0 N--CA 1.448 -0.536 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.082 -178.633 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 10.6 m -146.38 126.52 13.8 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 115.569 -0.315 . . . . 0.0 110.171 179.085 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' TYR . . . . . 0.561 ' CE1' ' HA ' ' B' ' 74' ' ' GLU . 0.1 OUTLIER -149.7 118.53 6.64 Favored 'General case' 0 N--CA 1.447 -0.599 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.213 -178.092 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -78.32 -16.04 58.13 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.912 179.413 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . 0.556 ' N ' ' HA3' ' B' ' 15' ' ' GLY . . . -66.95 -26.84 73.23 Favored Glycine 0 C--N 1.332 0.309 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.808 179.689 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' ALA . . . . . 0.417 ' HB2' ' HB2' ' B' ' 78' ' ' GLN . . . -79.07 -3.49 45.53 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.057 0.456 . . . . 0.0 110.564 178.427 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . 0.477 HG22 ' CD1' ' B' ' 81' ' ' LEU . 2.7 t -107.89 -48.59 7.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.921 -176.586 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 10.9 p30 -76.46 4.74 8.49 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 121.1 0.476 . . . . 0.0 110.903 -177.045 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 80.0 ttt180 -93.81 -11.76 30.55 Favored 'General case' 0 N--CA 1.447 -0.58 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.856 175.112 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . 0.432 HD12 ' HB3' ' B' ' 81' ' ' LEU . 69.4 mt -71.58 -21.82 61.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.981 -176.416 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 2.9 p -76.99 0.14 22.29 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.142 179.044 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 31.6 t -86.72 157.84 19.55 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.947 178.393 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.59 -21.7 60.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.373 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -51.37 -63.21 1.21 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.802 -0.636 . . . . 0.0 111.085 179.383 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 35' ' ' ALA . . . . . 0.512 ' O ' HG22 ' B' ' 39' ' ' VAL . . . -59.93 -50.61 73.09 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.437 -0.801 . . . . 0.0 111.124 -178.465 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -54.75 -28.17 46.55 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 111.908 0.336 . . . . 0.0 111.908 -176.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 47.7 m -81.98 -20.36 38.67 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.285 -0.416 . . . . 0.0 112.07 -179.409 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 38' ' ' ARG . . . . . 0.42 ' HD2' ' OE1' ' B' ' 82' ' ' GLU . 56.7 mtt180 -98.12 -50.56 4.32 Favored 'General case' 0 CA--C 1.514 -0.427 0 CA-C-O 121.724 0.773 . . . . 0.0 109.093 -179.05 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . 0.515 ' O ' HG21 ' B' ' 43' ' ' ILE . 48.6 t -59.08 -33.2 49.64 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 CA-C-N 114.033 -1.44 . . . . 0.0 111.522 -175.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 56.3 p -73.0 -13.19 61.18 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.12 0.486 . . . . 0.0 111.189 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 29.8 t -91.31 -14.63 30.47 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.693 0.759 . . . . 0.0 109.214 177.18 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 11.8 m120 -97.15 -24.96 15.49 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.079 -0.964 . . . . 0.0 110.257 -174.41 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 43' ' ' ILE . . . . . 0.529 HG13 ' N ' ' B' ' 44' ' ' ALA . 4.6 pt -56.33 -42.66 74.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.432 -0.803 . . . . 0.0 111.743 -176.875 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . 0.529 ' N ' HG13 ' B' ' 43' ' ' ILE . . . -77.06 -19.02 57.64 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.079 0.466 . . . . 0.0 110.704 -176.489 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -83.37 -51.3 7.52 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.572 -176.659 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 46' ' ' ILE . . . . . 0.421 HG22 ' HB3' ' B' ' 87' ' ' LEU . 53.0 mt -65.82 -36.06 76.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.185 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . 0.436 ' HB3' HD12 ' A' ' 96' ' ' ILE . . . -61.03 -28.82 69.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.247 -179.846 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 44.2 m -94.92 -5.66 44.3 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.884 -0.598 . . . . 0.0 112.042 -174.75 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -128.78 -28.9 0.78 Allowed Glycine 0 CA--C 1.517 0.181 0 C-N-CA 120.253 -0.975 . . . . 0.0 113.404 -176.111 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 80.48 -76.89 2.03 Favored Glycine 0 N--CA 1.447 -0.608 0 N-CA-C 111.127 -0.789 . . . . 0.0 111.127 -178.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -121.74 -17.1 7.52 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 121.17 0.509 . . . . 0.0 110.548 179.46 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 23.1 t -75.18 -11.3 60.05 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.841 -176.473 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -95.06 -16.82 22.38 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.048 -178.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 54' ' ' LEU . . . . . 0.429 ' N ' ' HD2' ' B' ' 55' ' ' PRO . 50.0 mt -53.71 -58.49 12.91 Favored Pre-proline 0 C--N 1.326 -0.437 0 CA-C-N 116.177 -0.465 . . . . 0.0 112.092 -175.747 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 55' ' ' PRO . . . . . 0.429 ' HD2' ' N ' ' B' ' 54' ' ' LEU . 18.4 Cg_endo -60.71 -18.83 57.82 Favored 'Trans proline' 0 C--N 1.353 0.798 0 C-N-CA 122.298 1.999 . . . . 0.0 113.018 -176.267 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 20.1 m -96.46 -34.54 11.46 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.903 0.383 . . . . 0.0 111.208 -178.354 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 73.6 t -82.57 -41.22 17.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.459 -176.125 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 58' ' ' ILE . . . . . 0.523 HG12 ' HG ' ' B' ' 83' ' ' LEU . 65.0 mt -56.76 -41.86 76.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.553 177.756 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 17.7 t -66.65 -41.38 88.33 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.337 -178.365 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 63.1 m-20 -58.66 -49.21 78.39 Favored 'General case' 0 CA--C 1.519 -0.238 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.058 178.647 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . 0.419 ' O ' HG22 ' B' ' 65' ' ' VAL . 41.9 mt -68.67 -44.52 82.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.182 -179.797 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 62' ' ' TYR . . . . . 0.439 ' O ' HG21 ' B' ' 66' ' ' VAL . 57.3 t80 -56.0 -50.44 70.87 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.141 -177.05 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 11.0 t -63.07 -29.96 71.22 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.965 0.412 . . . . 0.0 110.073 -179.354 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -70.22 -36.63 71.21 Favored Glycine 0 N--CA 1.45 -0.399 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.981 179.307 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 65' ' ' VAL . . . . . 0.474 HG13 HG13 ' B' ' 70' ' ' VAL . 59.9 t -76.89 -43.77 32.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 120.704 0.288 . . . . 0.0 111.024 -179.592 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 66' ' ' VAL . . . . . 0.439 HG21 ' O ' ' B' ' 62' ' ' TYR . 87.8 t -61.7 -35.89 70.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.904 0.383 . . . . 0.0 111.415 -178.342 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -70.46 -2.95 15.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.585 179.11 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 38.7 t -92.01 0.16 57.47 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.127 -179.532 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 85.08 25.55 40.21 Favored Glycine 0 N--CA 1.454 -0.14 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.212 177.597 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . 0.474 HG13 HG13 ' B' ' 65' ' ' VAL . 9.1 p -88.1 160.2 2.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 -179.305 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 33.2 t -66.71 141.64 57.69 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 176.318 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 7.8 m -55.45 -46.83 76.74 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.007 0.373 . . . . 0.0 112.007 -174.693 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -76.25 -27.54 56.76 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.949 0.404 . . . . 0.0 110.148 -176.882 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 74' ' ' GLU . . . . . 0.561 ' HA ' ' CE1' ' B' ' 23' ' ' TYR . 40.6 tt0 -74.85 -32.73 61.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.173 179.116 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.09 -36.67 77.92 Favored 'General case' 0 CA--C 1.518 -0.259 0 CA-C-N 115.513 -0.767 . . . . 0.0 111.193 178.047 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -55.22 -44.04 75.05 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.033 179.078 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 77' ' ' ILE . . . . . 0.655 ' O ' ' HG ' ' B' ' 81' ' ' LEU . 43.5 mm -66.15 -56.31 15.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.835 -178.394 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 78' ' ' GLN . . . . . 0.417 ' HB2' ' HB2' ' B' ' 26' ' ' ALA . 18.4 tt0 -58.03 -46.99 84.42 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-O 120.553 0.216 . . . . 0.0 111.199 -179.497 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.3 -37.19 82.31 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.988 0.423 . . . . 0.0 110.89 -178.589 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 80' ' ' LEU . . . . . 0.519 ' O ' HD23 ' B' ' 84' ' ' LEU . 5.1 mt -73.25 -39.63 65.29 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.105 178.65 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . 0.655 ' HG ' ' O ' ' B' ' 77' ' ' ILE . 35.5 mt -65.89 -38.48 88.88 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 120.695 0.283 . . . . 0.0 110.674 -179.494 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 82' ' ' GLU . . . . . 0.42 ' OE1' ' HD2' ' B' ' 38' ' ' ARG . 52.5 mt-10 -64.31 -35.19 80.06 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.298 172.228 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 83' ' ' LEU . . . . . 0.523 ' HG ' HG12 ' B' ' 58' ' ' ILE . 3.5 tm? -67.46 -43.87 80.01 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-O 121.231 0.539 . . . . 0.0 109.84 177.701 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 84' ' ' LEU . . . . . 0.519 HD23 ' O ' ' B' ' 80' ' ' LEU . 3.9 mm? -67.08 -10.39 49.5 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.458 -0.792 . . . . 0.0 112.008 -178.503 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 85' ' ' SER . . . . . 0.403 ' OG ' HG12 ' A' ' 111' ' ' VAL . 49.7 m -93.13 -30.49 15.23 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 120.965 0.412 . . . . 0.0 110.502 -177.671 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 86' ' ' ALA . . . . . 0.403 ' O ' HG13 ' B' ' 90' ' ' VAL . . . -69.75 -43.11 72.93 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.924 -177.087 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 87' ' ' LEU . . . . . 0.445 HD13 ' N ' ' B' ' 88' ' ' VAL . 1.2 pp -81.67 -18.67 43.73 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 112.999 0.74 . . . . 0.0 112.999 -171.651 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 88' ' ' VAL . . . . . 0.445 ' N ' HD13 ' B' ' 87' ' ' LEU . 17.9 m -91.48 -20.52 6.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 C-N-CA 120.05 -0.66 . . . . 0.0 110.417 176.002 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 89' ' ' HIS . . . . . . . . . . . . . 79.5 t60 -69.79 -36.61 75.84 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.087 176.75 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 90' ' ' VAL . . . . . 0.41 HG22 ' O ' ' B' ' 87' ' ' LEU . 29.5 m -66.57 -26.9 38.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.854 -174.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 91' ' ' LEU . . . . . 0.422 ' HA ' ' HB3' ' B' ' 94' ' ' ALA . 3.5 mm? -65.82 -20.51 66.27 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.634 0.254 . . . . 0.0 111.217 -179.31 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 33.8 t -63.29 -29.02 70.42 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.024 0.44 . . . . 0.0 110.454 179.324 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 18.2 m -121.81 13.55 10.72 Favored 'General case' 0 N--CA 1.448 -0.534 0 CA-C-O 121.345 0.593 . . . . 0.0 110.563 -179.611 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 94' ' ' ALA . . . . . 0.422 ' HB3' ' HA ' ' B' ' 91' ' ' LEU . . . -107.23 99.15 8.71 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.537 179.243 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 11.1 t -74.6 93.58 2.54 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.186 0.517 . . . . 0.0 109.731 178.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 96' ' ' ILE . . . . . 0.426 HD12 ' CG1' ' B' ' 99' ' ' VAL . 21.3 tt -72.26 149.71 8.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.091 178.814 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 97' ' ' GLY . . . . . . . . . . . . . . . -106.61 -88.44 2.03 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.564 -0.826 . . . . 0.0 112.184 179.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 98' ' ' ASN . . . . . . . . . . . . . 6.3 t30 -134.95 115.85 14.03 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.668 0.27 . . . . 0.0 110.612 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 99' ' ' VAL . . . . . 0.426 ' CG1' HD12 ' B' ' 96' ' ' ILE . 6.0 m -95.57 161.73 2.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.643 177.164 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 100' ' ' SER . . . . . . . . . . . . . 33.2 m -117.47 146.05 43.77 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.466 -178.118 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 16.9 m -87.25 7.1 29.97 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.22 0.534 . . . . 0.0 110.591 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 7.5 p -113.21 128.5 69.96 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.615 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.868 -178.64 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . 109.84 -15.15 31.61 Favored Glycine 0 C--N 1.317 -0.487 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.617 -177.598 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 104' ' ' VAL . . . . . 0.447 ' O ' HD12 ' B' ' 108' ' ' LEU . 38.1 t -59.62 -34.79 56.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 120.921 0.391 . . . . 0.0 109.981 175.341 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -54.91 -43.31 73.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.12 -0.945 . . . . 0.0 109.52 177.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 2.1 m -74.95 -38.74 61.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.122 -0.945 . . . . 0.0 111.13 -178.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 44.8 m -58.96 -36.58 75.07 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-O 121.222 0.534 . . . . 0.0 110.488 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 108' ' ' LEU . . . . . 0.538 ' O ' HG12 ' B' ' 111' ' ' VAL . 1.9 mt -61.5 -24.54 66.67 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.354 -0.839 . . . . 0.0 111.985 179.053 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 109' ' ' ASN . . . . . 0.465 HD21 ' N ' ' B' ' 109' ' ' ASN . 0.9 OUTLIER -72.16 -27.96 62.92 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.957 0.408 . . . . 0.0 110.462 179.423 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 110' ' ' VAL . . . . . . . . . . . . . 22.8 t -83.62 -37.34 13.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.095 -175.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 111' ' ' VAL . . . . . 0.538 HG12 ' O ' ' B' ' 108' ' ' LEU . 10.6 p -60.8 -28.17 42.58 Favored 'Isoleucine or valine' 0 C--O 1.236 0.354 0 CA-C-O 121.371 0.605 . . . . 0.0 110.342 -179.259 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 112' ' ' GLN . . . . . 0.5 ' HG3' ' O ' ' B' ' 108' ' ' LEU . 25.3 mt-30 -66.66 -24.99 66.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.394 -0.821 . . . . 0.0 111.022 -179.555 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 113' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -81.68 -35.22 30.12 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.3 0.571 . . . . 0.0 110.562 -175.609 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 6.3 m -74.42 -46.11 42.22 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.485 -0.779 . . . . 0.0 111.533 -172.433 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 115' ' ' VAL . . . . . 0.444 HG11 HD21 ' A' ' 81' ' ' LEU . 13.0 p -109.35 -16.64 8.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-O 121.022 0.439 . . . . 0.0 111.251 -174.621 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 116' ' ' GLY . . . . . 0.417 ' HA3' ' O ' ' B' ' 112' ' ' GLN . . . -64.0 -11.43 44.66 Favored Glycine 0 C--O 1.224 -0.525 0 CA-C-N 115.971 -0.559 . . . . 0.0 113.363 -177.873 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -97.71 1.5 48.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.931 0.366 . . . . 0.0 110.891 178.333 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 118' ' ' TYR . . . . . . . . . . . . . 69.8 m-85 -113.84 -28.92 7.24 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.274 0.559 . . . . 0.0 110.126 177.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 119' ' ' VAL . . . . . . . . . . . . . 34.8 m -92.11 -2.89 10.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.079 177.1 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 120' ' ' GLY . . . . . 0.433 ' C ' ' H ' ' A' ' 12' ' ' ALA . . . . . . . . 0 C--O 1.25 1.133 0 CA-C-O 118.492 -1.171 . . . . 0.0 112.217 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.529 0 N-CA-C 111.959 -0.456 . . . . 0.0 111.959 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 20.3 m -92.16 145.24 24.66 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 110.168 -0.308 . . . . 0.0 110.168 178.304 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . 148.08 -144.61 12.56 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.579 -0.82 . . . . 0.0 112.348 178.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' -2' ' ' ASN . . . . . . . . . . . . . 6.9 p30 -136.03 117.01 14.25 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.267 0.556 . . . . 0.0 110.512 -179.518 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 20.0 m -150.42 -66.33 0.2 Allowed 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.791 178.15 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 50.7 t -108.1 124.59 64.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.238 179.693 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 2.1 t -150.5 87.48 1.44 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.559 0.695 . . . . 0.0 110.67 178.411 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 61.3 m -156.79 149.12 23.22 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.174 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 107.25 157.93 20.79 Favored Glycine 0 N--CA 1.445 -0.711 0 C-N-CA 120.853 -0.689 . . . . 0.0 111.98 -179.216 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -86.86 54.65 4.61 Favored Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 121.014 -0.612 . . . . 0.0 112.371 -179.104 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 46.6 p90 -151.83 145.33 24.86 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 110.016 -0.365 . . . . 0.0 110.016 179.278 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 149.76 87.79 0.07 OUTLIER Glycine 0 N--CA 1.447 -0.621 0 C-N-CA 120.709 -0.758 . . . . 0.0 111.699 -179.713 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER 68.99 -66.51 0.25 Allowed 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 123.598 0.759 . . . . 0.0 110.795 -177.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -88.98 73.13 2.18 Favored Glycine 0 N--CA 1.449 -0.47 0 N-CA-C 111.48 -0.648 . . . . 0.0 111.48 176.321 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 21.7 p -82.53 -31.27 29.24 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.353 0.597 . . . . 0.0 111.197 -178.4 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 25.5 m -133.06 160.87 35.91 Favored 'General case' 0 N--CA 1.446 -0.63 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.214 -177.484 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -77.95 48.9 0.75 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.127 0.489 . . . . 0.0 110.954 -179.282 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -119.4 0.64 11.13 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.415 179.706 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -144.89 145.45 31.59 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.988 -179.637 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -165.13 89.26 0.1 Allowed Glycine 0 N--CA 1.443 -0.836 0 C-N-CA 120.349 -0.929 . . . . 0.0 113.157 -177.55 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -175.74 92.58 0.05 Allowed 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 173.258 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 58.21 39.77 92.85 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.583 -0.817 . . . . 0.0 111.762 -172.454 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.421 HG23 ' O ' ' A' ' 22' ' ' SER . 0.2 OUTLIER -73.04 -60.6 2.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 N-CA-C 112.104 0.409 . . . . 0.0 112.104 -174.546 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -106.69 -176.21 3.01 Favored 'General case' 0 C--N 1.321 -0.636 0 C-N-CA 120.936 -0.305 . . . . 0.0 111.065 -177.27 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -95.65 28.61 2.94 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.983 0.421 . . . . 0.0 110.143 177.312 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -179.0 -33.18 0.06 OUTLIER Glycine 0 N--CA 1.448 -0.552 0 C-N-CA 120.865 -0.683 . . . . 0.0 112.333 -178.234 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.506 ' HB3' ' O ' ' B' ' 119' ' ' VAL . 57.9 m -106.5 135.55 47.82 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 111.627 0.232 . . . . 0.0 111.627 179.728 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -153.94 134.75 13.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.044 177.733 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -93.43 -20.17 20.57 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.779 0.323 . . . . 0.0 111.095 176.428 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.08 -30.98 79.3 Favored Glycine 0 CA--C 1.508 -0.344 0 C-N-CA 121.043 -0.599 . . . . 0.0 112.316 -178.121 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.467 ' HB1' ' HB2' ' A' ' 78' ' ' GLN . . . -66.95 -16.41 64.33 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.182 0.515 . . . . 0.0 110.614 177.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.411 ' CG1' ' HA ' ' B' ' 112' ' ' GLN . 3.1 t -95.73 -42.04 12.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.863 -175.16 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 37.6 m-80 -66.88 -28.04 68.0 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-O 120.955 0.407 . . . . 0.0 110.981 -176.687 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 78.3 ttt180 -72.67 -12.27 60.96 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.277 -176.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.501 ' HB3' HD12 ' B' ' 108' ' ' LEU . 90.6 mt -65.42 -27.23 68.39 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.794 -176.611 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 15.7 p -74.86 -1.95 24.63 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.16 0.505 . . . . 0.0 111.498 -177.099 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 47.7 t -84.32 159.78 20.84 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.222 177.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.27 -16.93 61.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.046 178.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -54.13 -61.38 2.34 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.765 178.212 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.566 ' O ' HG21 ' A' ' 39' ' ' VAL . . . -61.2 -53.68 53.8 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.593 179.216 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.56 -36.49 34.84 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.163 -0.471 . . . . 0.0 112.162 -176.005 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 47.4 t -71.96 -26.21 62.18 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-O 120.833 0.349 . . . . 0.0 111.415 -178.34 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 93.9 mtt-85 -91.41 -47.9 7.19 Favored 'General case' 0 CA--C 1.514 -0.44 0 CA-C-O 121.8 0.809 . . . . 0.0 108.872 -177.761 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.566 HG21 ' O ' ' A' ' 35' ' ' ALA . 61.9 t -59.22 -35.6 58.65 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-N 114.022 -1.444 . . . . 0.0 111.256 -178.5 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.496 ' HB2' ' HB3' ' B' ' 101' ' ' SER . 78.0 p -73.17 -8.76 57.2 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.813 0.34 . . . . 0.0 111.892 -179.348 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 32.6 t -96.37 -17.59 20.53 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.623 0.725 . . . . 0.0 109.249 175.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.442 ' OD1' HD12 ' A' ' 61' ' ' ILE . 9.5 m120 -87.09 -27.6 23.03 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.267 -0.879 . . . . 0.0 109.549 -176.092 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.485 HG13 ' N ' ' A' ' 44' ' ' ALA . 3.0 pt -59.19 -33.49 50.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.085 -0.962 . . . . 0.0 111.074 179.763 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.485 ' N ' HG13 ' A' ' 43' ' ' ILE . . . -89.9 6.37 42.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.108 0.48 . . . . 0.0 111.105 -178.686 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -109.45 -52.96 2.71 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.163 0.506 . . . . 0.0 110.061 177.507 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.413 ' HA ' ' HB3' ' A' ' 53' ' ' ALA . 64.8 mt -64.53 -35.1 73.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.096 -177.669 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.414 ' HB2' HD13 ' B' ' 96' ' ' ILE . . . -66.59 -11.33 52.85 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 112.124 0.416 . . . . 0.0 112.124 -177.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 32.7 t -104.38 -7.52 19.85 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.468 -177.369 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -134.3 -36.01 0.25 Allowed Glycine 0 N--CA 1.453 -0.179 0 C-N-CA 120.306 -0.95 . . . . 0.0 113.356 -175.795 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 85.33 -77.24 2.11 Favored Glycine 0 N--CA 1.444 -0.795 0 N-CA-C 111.165 -0.774 . . . . 0.0 111.165 -177.35 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -112.75 -22.9 10.46 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 121.089 0.471 . . . . 0.0 110.911 -177.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 8.9 p -74.1 -17.53 60.93 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.169 -177.154 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.416 ' O ' HG21 ' A' ' 57' ' ' VAL . . . -88.73 -16.25 32.7 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.659 -178.761 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.412 ' N ' ' HD2' ' A' ' 55' ' ' PRO . 50.8 mt -54.52 -56.4 27.28 Favored Pre-proline 0 CA--C 1.534 0.347 0 CA-C-N 115.877 -0.602 . . . . 0.0 112.025 -176.169 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.412 ' HD2' ' N ' ' A' ' 54' ' ' LEU . 18.5 Cg_endo -62.7 -28.74 76.77 Favored 'Trans proline' 0 C--N 1.352 0.73 0 C-N-CA 121.899 1.733 . . . . 0.0 112.037 -178.028 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 14.5 m -79.01 -34.06 44.37 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.154 0.502 . . . . 0.0 111.002 -178.087 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.416 HG21 ' O ' ' A' ' 53' ' ' ALA . 76.5 t -86.57 -40.66 14.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.894 -173.631 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.479 HG12 HD21 ' A' ' 83' ' ' LEU . 76.5 mt -56.98 -44.13 82.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.344 176.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 11.8 t -64.43 -35.24 80.27 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.252 -176.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -68.38 -47.19 68.0 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.999 179.752 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.442 HD12 ' OD1' ' A' ' 42' ' ' ASN . 47.5 mt -70.11 -45.02 77.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.346 -179.349 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.518 ' O ' HG21 ' A' ' 66' ' ' VAL . 42.2 t80 -53.87 -53.49 51.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.087 -176.494 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 21.0 t -63.29 -29.43 70.75 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.923 0.392 . . . . 0.0 110.56 -179.048 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -66.64 -43.82 91.16 Favored Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.847 -0.692 . . . . 0.0 111.864 178.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.419 HG12 HG13 ' A' ' 70' ' ' VAL . 29.9 t -71.99 -43.54 67.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-O 120.722 0.296 . . . . 0.0 111.047 -179.71 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.518 HG21 ' O ' ' A' ' 62' ' ' TYR . 94.7 t -57.63 -38.27 63.46 Favored 'Isoleucine or valine' 0 C--O 1.234 0.245 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.299 -178.129 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -66.56 -10.54 46.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.017 -0.538 . . . . 0.0 112.192 -178.406 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 29.2 t -87.54 -9.37 54.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.793 0.33 . . . . 0.0 110.997 -179.635 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 89.56 33.42 9.27 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.522 -0.847 . . . . 0.0 112.085 -179.301 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.419 HG13 HG12 ' A' ' 65' ' ' VAL . 13.5 p -80.99 157.91 4.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 177.695 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 2.0 m -65.42 156.26 32.89 Favored 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 110.433 -0.21 . . . . 0.0 110.433 178.527 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.7 m -54.05 -65.59 0.54 Allowed 'General case' 0 CA--C 1.534 0.329 0 N-CA-C 112.806 0.669 . . . . 0.0 112.806 -172.381 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -73.75 -22.48 59.85 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.321 0.581 . . . . 0.0 109.983 -176.42 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -67.97 -31.93 71.99 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.55 -0.75 . . . . 0.0 109.971 178.661 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.94 -43.29 99.16 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.837 176.128 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.411 ' O ' HD21 ' A' ' 80' ' ' LEU . 2.8 tm? -56.76 -50.37 72.49 Favored 'General case' 0 CA--C 1.516 -0.355 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.627 176.681 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.732 ' O ' ' HG ' ' A' ' 81' ' ' LEU . 33.7 mm -59.0 -56.51 16.48 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 115.247 -0.888 . . . . 0.0 111.351 -177.052 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . 0.467 ' HB2' ' HB1' ' A' ' 26' ' ' ALA . 44.2 tt0 -59.09 -46.5 88.13 Favored 'General case' 0 N--CA 1.464 0.265 0 C-N-CA 120.878 -0.329 . . . . 0.0 111.288 -178.713 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -58.57 -38.57 78.16 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.837 -179.156 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.635 ' O ' HD23 ' A' ' 84' ' ' LEU . 3.2 mm? -68.12 -42.26 80.48 Favored 'General case' 0 N--CA 1.448 -0.557 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.656 175.386 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.732 ' HG ' ' O ' ' A' ' 77' ' ' ILE . 77.6 mt -60.43 -45.12 94.78 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.734 0.302 . . . . 0.0 111.309 -179.436 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -62.73 -42.7 99.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.895 0.379 . . . . 0.0 110.382 177.758 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.479 HD21 HG12 ' A' ' 58' ' ' ILE . 41.5 tp -58.82 -44.03 90.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.073 0.463 . . . . 0.0 110.921 176.339 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.635 HD23 ' O ' ' A' ' 80' ' ' LEU . 3.5 mm? -66.39 -5.58 11.35 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.617 -0.72 . . . . 0.0 111.871 -177.648 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 20.0 m -98.37 -30.15 12.74 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.895 0.379 . . . . 0.0 110.553 178.096 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.404 ' HB2' HG13 ' A' ' 39' ' ' VAL . . . -71.75 -48.0 49.85 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.335 0.588 . . . . 0.0 110.762 -176.358 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.497 HD13 ' N ' ' A' ' 88' ' ' VAL . 1.1 pp -74.2 -20.7 60.11 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.405 -0.816 . . . . 0.0 112.753 -172.163 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.497 ' N ' HD13 ' A' ' 87' ' ' LEU . 16.4 m -89.86 -22.43 6.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 C-N-CA 120.297 -0.561 . . . . 0.0 110.543 177.215 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 54.7 t60 -70.47 -34.52 72.5 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.266 179.258 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.409 ' HB ' ' CD1' ' B' ' 96' ' ' ILE . 20.3 m -66.18 -27.22 40.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.262 -176.127 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.45 ' HA ' ' HB1' ' A' ' 94' ' ' ALA . 4.1 mm? -62.97 -24.63 67.98 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.971 0.415 . . . . 0.0 110.999 178.787 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 60.2 m -56.9 -34.94 68.41 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.02 179.169 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.471 ' HB2' HG13 ' B' ' 99' ' ' VAL . 19.4 m -108.01 -19.28 13.56 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.629 0.728 . . . . 0.0 110.324 -178.878 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . 0.45 ' HB1' ' HA ' ' A' ' 91' ' ' LEU . . . -76.72 96.33 4.2 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.102 -0.954 . . . . 0.0 111.61 -179.233 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 26.4 t -75.26 89.21 2.55 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.21 -0.663 . . . . 0.0 109.21 174.163 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.435 HD13 ' HB2' ' B' ' 47' ' ' ALA . 20.0 tt -68.55 145.4 13.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.453 -177.458 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -92.73 -109.29 1.84 Allowed Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.889 -0.672 . . . . 0.0 112.157 179.152 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -122.83 117.13 24.92 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.708 0.29 . . . . 0.0 110.286 -179.273 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.412 ' CG1' HD12 ' A' ' 96' ' ' ILE . 5.7 m -97.61 155.47 3.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 120.86 0.362 . . . . 0.0 110.946 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 40.0 m -116.63 148.85 40.59 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.474 -178.371 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 2.5 p -84.91 0.43 51.19 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.317 0.58 . . . . 0.0 111.077 179.289 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 45.9 t -94.01 111.76 25.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.06 -174.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 107.82 1.43 34.34 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.837 -0.697 . . . . 0.0 112.828 176.305 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 47.4 t -57.15 -33.0 41.94 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.106 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 174.721 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -49.37 -42.67 42.82 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.303 -0.862 . . . . 0.0 111.572 177.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 25.0 m -72.88 -24.98 60.92 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.02 -177.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 22.3 m -72.12 -35.66 69.2 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 177.631 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.573 ' O ' ' HG3' ' A' ' 112' ' ' GLN . 4.5 mm? -57.93 -31.34 66.73 Favored 'General case' 0 C--O 1.221 -0.437 0 CA-C-N 115.321 -0.854 . . . . 0.0 110.308 174.779 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . 0.469 ' N ' HD21 ' A' ' 109' ' ' ASN . 0.9 OUTLIER -73.36 -26.61 61.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.813 0.339 . . . . 0.0 110.78 -179.086 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 41.4 t -82.63 -37.45 14.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.828 -176.478 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.55 HG11 ' O ' ' A' ' 108' ' ' LEU . 8.5 p -62.93 -25.2 37.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 121.436 0.636 . . . . 0.0 110.511 -179.583 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . 0.573 ' HG3' ' O ' ' A' ' 108' ' ' LEU . 21.8 mt-30 -70.48 -21.16 62.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.977 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -82.8 -34.82 26.89 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.683 -174.63 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 13.4 p -80.44 -47.24 14.64 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.45 -0.796 . . . . 0.0 112.007 -172.119 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . 0.474 HG13 HD22 ' B' ' 81' ' ' LEU . 12.7 p -107.76 -16.05 8.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-O 120.922 0.392 . . . . 0.0 111.507 -171.839 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -61.45 -22.53 61.44 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.854 -0.689 . . . . 0.0 112.663 -178.551 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -92.3 6.84 45.33 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.717 0.294 . . . . 0.0 111.337 -179.165 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 70.2 m-85 -116.08 -32.59 5.32 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-O 120.8 0.333 . . . . 0.0 110.297 175.765 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . 0.404 ' O ' ' HB3' ' B' ' 22' ' ' SER . 35.1 m -84.1 -3.02 7.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.732 176.331 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.512 0 C-N-CA 121.048 -0.596 . . . . 0.0 111.882 179.381 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.387 0 N-CA-C 112.351 -0.3 . . . . 0.0 112.351 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' -4' ' ' SER . . . . . . . . . . . . . 35.9 m -143.28 120.89 11.79 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.881 0.372 . . . . 0.0 110.637 178.563 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' -3' ' ' GLY . . . . . . . . . . . . . . . -136.27 140.17 11.3 Favored Glycine 0 N--CA 1.446 -0.673 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.148 -179.394 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' -2' ' ' ASN . . . . . . . . . . . . . 2.5 p-10 -114.5 108.9 17.47 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.477 0.656 . . . . 0.0 110.84 -179.758 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' -1' ' ' SER . . . . . . . . . . . . . 18.1 m -150.14 162.85 39.63 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.828 178.649 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 12.6 m -95.7 105.49 17.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-O 121.408 0.623 . . . . 0.0 110.87 178.565 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 20.9 p -74.38 129.42 37.74 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.228 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 31.1 p -103.16 127.72 50.36 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.609 178.196 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . 157.58 171.58 23.74 Favored Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 120.971 -0.633 . . . . 0.0 111.737 178.174 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -86.86 47.39 3.7 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.255 -179.66 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 6' ' ' TYR . . . . . . . . . . . . . 52.4 p90 -156.84 175.5 13.98 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 -177.69 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . 154.36 -134.01 4.12 Favored Glycine 0 N--CA 1.448 -0.502 0 N-CA-C 111.366 -0.694 . . . . 0.0 111.366 -179.517 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 39.1 t80 -71.81 -35.11 69.85 Favored 'General case' 0 N--CA 1.446 -0.666 0 CA-C-O 121.064 0.459 . . . . 0.0 110.035 179.065 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -122.66 108.45 1.25 Allowed Glycine 0 N--CA 1.447 -0.578 0 C-N-CA 121.081 -0.58 . . . . 0.0 111.782 176.057 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 32.8 p -96.59 -22.95 16.74 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.001 0.429 . . . . 0.0 110.84 -179.736 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 49.4 m -129.1 171.39 12.44 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.465 -178.599 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -78.44 20.21 0.43 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.949 0.404 . . . . 0.0 111.615 -177.738 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -86.78 -28.74 22.8 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.248 0.547 . . . . 0.0 110.36 177.753 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -112.79 135.04 53.99 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.576 -178.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . -149.45 55.48 0.48 Allowed Glycine 0 C--O 1.221 -0.671 0 C-N-CA 120.581 -0.819 . . . . 0.0 112.482 -179.412 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -159.3 109.48 1.95 Allowed 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 -179.296 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 56.57 35.92 68.84 Favored Glycine 0 CA--C 1.518 0.244 0 C-N-CA 120.793 -0.718 . . . . 0.0 111.911 -175.214 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 3.3 m -84.62 -21.72 8.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 N-CA-C 112.301 0.482 . . . . 0.0 112.301 -173.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -148.56 -173.04 4.23 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.387 176.622 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -100.65 -7.29 24.06 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.827 0.346 . . . . 0.0 110.857 178.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -149.53 21.29 1.18 Allowed Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.946 -0.645 . . . . 0.0 111.983 176.424 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 22' ' ' SER . . . . . 0.404 ' HB3' ' O ' ' A' ' 119' ' ' VAL . 34.6 m -151.71 124.38 8.45 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-O 120.675 0.274 . . . . 0.0 111.24 179.743 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -153.33 129.18 10.19 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 108.503 -0.925 . . . . 0.0 108.503 177.107 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -80.56 -27.03 37.64 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 120.751 0.31 . . . . 0.0 111.485 -178.065 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.15 -28.34 73.43 Favored Glycine 0 CA--C 1.512 -0.136 0 C-N-CA 121.105 -0.569 . . . . 0.0 112.561 -179.4 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.77 -17.94 64.12 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.598 0.714 . . . . 0.0 109.749 177.7 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . 0.509 ' CG1' ' HA ' ' A' ' 112' ' ' GLN . 2.5 t -92.68 -38.05 9.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-N 114.859 -1.064 . . . . 0.0 109.693 177.833 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 76.2 m-20 -75.18 -15.58 60.56 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.097 -174.236 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 77.7 ttt180 -82.34 -11.31 58.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.321 0.582 . . . . 0.0 110.222 178.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . 0.523 ' HB3' HD11 ' A' ' 108' ' ' LEU . 97.6 mt -66.66 -26.39 67.03 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.63 -176.383 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 5.2 p -77.14 -0.4 24.77 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.548 -178.238 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 8.5 t -82.58 161.85 22.13 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.816 -0.439 . . . . 0.0 109.816 179.356 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.11 -15.68 63.3 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.811 0.339 . . . . 0.0 110.798 178.601 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -57.89 -66.37 0.49 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.714 179.151 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 35' ' ' ALA . . . . . 0.527 ' O ' HG21 ' B' ' 39' ' ' VAL . . . -55.9 -50.7 69.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.071 179.745 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -56.88 -20.57 23.82 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.332 0.493 . . . . 0.0 112.332 -177.385 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 44.7 t -85.95 -27.45 24.9 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.779 0.323 . . . . 0.0 111.325 178.768 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 38' ' ' ARG . . . . . 0.591 ' NH1' ' HA ' ' B' ' 61' ' ' ILE . 13.4 mtp180 -95.61 -45.1 7.19 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 -176.191 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . 0.527 HG21 ' O ' ' B' ' 35' ' ' ALA . 59.6 t -59.36 -34.87 55.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 114.875 -1.057 . . . . 0.0 110.989 179.752 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 33.1 p -72.75 -11.77 60.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.372 179.167 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 47.0 t -91.62 -17.03 26.16 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.701 0.763 . . . . 0.0 109.445 176.194 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 42' ' ' ASN . . . . . 0.421 ' OD1' HD12 ' B' ' 61' ' ' ILE . 10.6 m120 -92.93 -26.51 17.56 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.174 -0.921 . . . . 0.0 110.058 -174.598 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 43' ' ' ILE . . . . . 0.524 HG13 ' N ' ' B' ' 44' ' ' ALA . 3.9 pt -56.41 -40.42 67.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.478 -0.783 . . . . 0.0 111.604 -177.736 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . 0.524 ' N ' HG13 ' B' ' 43' ' ' ILE . . . -79.39 -12.49 59.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.982 0.42 . . . . 0.0 111.159 -176.217 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -90.38 -51.27 5.51 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.234 0.54 . . . . 0.0 110.495 -178.047 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 47.7 mt -68.22 -32.49 56.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.725 -178.215 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . 0.435 ' HB2' HD13 ' A' ' 96' ' ' ILE . . . -64.43 -19.69 65.69 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.303 179.58 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 33.7 t -100.45 -47.21 4.97 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.825 -178.095 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -84.22 -24.77 46.57 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.814 -0.708 . . . . 0.0 113.3 -176.451 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 75.83 -74.85 1.54 Allowed Glycine 0 N--CA 1.45 -0.378 0 N-CA-C 111.554 -0.618 . . . . 0.0 111.554 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -122.23 -23.05 5.4 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.09 0.471 . . . . 0.0 110.426 179.16 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 15.2 m -72.52 -10.34 59.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.947 -178.103 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -91.81 -17.01 25.97 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.649 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 54' ' ' LEU . . . . . 0.412 ' N ' ' HD2' ' B' ' 55' ' ' PRO . 50.8 mt -55.67 -58.51 15.31 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 115.904 -0.589 . . . . 0.0 112.282 -176.152 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 55' ' ' PRO . . . . . 0.412 ' HD2' ' N ' ' B' ' 54' ' ' LEU . 18.2 Cg_endo -60.72 -21.57 70.13 Favored 'Trans proline' 0 C--N 1.353 0.767 0 C-N-CA 122.242 1.961 . . . . 0.0 112.436 -176.489 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 14.8 m -89.04 -44.58 10.27 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.049 0.452 . . . . 0.0 110.905 -179.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 78.8 t -74.89 -37.45 41.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.406 -173.55 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 58' ' ' ILE . . . . . 0.509 HG12 HD22 ' B' ' 83' ' ' LEU . 46.7 mt -57.09 -44.1 82.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.241 175.783 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 5.1 t -68.92 -38.58 79.64 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.988 -177.13 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -60.83 -48.68 80.72 Favored 'General case' 0 CA--C 1.52 -0.21 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.703 178.78 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . 0.591 ' HA ' ' NH1' ' B' ' 38' ' ' ARG . 41.4 mt -69.24 -45.37 79.47 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.957 179.107 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 62' ' ' TYR . . . . . 0.488 ' O ' HG23 ' B' ' 66' ' ' VAL . 48.5 t80 -55.41 -55.64 29.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.081 -177.709 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 33.6 t -60.68 -31.66 70.91 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-O 121.093 0.473 . . . . 0.0 110.312 -179.484 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . 0.471 ' HA3' ' NH1' ' B' ' 38' ' ' ARG . . . -65.75 -45.14 90.45 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.839 -0.696 . . . . 0.0 111.936 178.283 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 65' ' ' VAL . . . . . 0.489 HG21 ' O ' ' B' ' 61' ' ' ILE . 41.4 t -70.81 -44.14 76.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.76 0.314 . . . . 0.0 110.836 -179.303 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 66' ' ' VAL . . . . . 0.488 HG23 ' O ' ' B' ' 62' ' ' TYR . 93.0 t -57.22 -37.05 54.14 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.328 0 CA-C-O 120.901 0.381 . . . . 0.0 110.961 -179.761 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.07 -7.24 11.25 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 115.941 -0.572 . . . . 0.0 112.238 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 44.6 t -93.17 -2.55 55.17 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.555 0.217 . . . . 0.0 111.513 -178.635 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 83.82 26.99 39.58 Favored Glycine 0 N--CA 1.453 -0.174 0 C-N-CA 120.415 -0.898 . . . . 0.0 111.902 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . 0.437 HG11 HG11 ' B' ' 65' ' ' VAL . 13.8 p -78.58 158.74 4.8 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-N 115.372 -0.414 . . . . 0.0 109.905 179.139 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 1.5 m -68.04 152.55 45.34 Favored 'General case' 0 N--CA 1.448 -0.526 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 178.174 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 24.9 m -49.54 -68.07 0.21 Allowed 'General case' 0 N--CA 1.468 0.469 0 N-CA-C 113.649 0.981 . . . . 0.0 113.649 -171.287 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 47.9 t30 -81.37 -11.69 59.21 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.118 -0.633 . . . . 0.0 110.495 -175.394 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -69.02 -33.42 73.6 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.733 -0.84 . . . . 0.0 108.733 173.023 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -62.54 -42.12 99.32 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 114.851 -1.068 . . . . 0.0 110.237 173.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 76' ' ' LEU . . . . . 0.428 HD23 ' HB3' ' B' ' 118' ' ' TYR . 2.8 tm? -53.93 -54.67 35.55 Favored 'General case' 0 CA--C 1.518 -0.277 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.567 177.656 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 77' ' ' ILE . . . . . 0.69 ' O ' ' HG ' ' B' ' 81' ' ' LEU . 37.2 mm -59.33 -55.71 21.86 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 115.336 -0.847 . . . . 0.0 111.563 -177.292 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 78' ' ' GLN . . . . . . . . . . . . . 48.6 tt0 -57.89 -48.78 78.84 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 120.826 -0.35 . . . . 0.0 110.931 -178.22 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.2 -38.89 84.67 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.809 -178.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 80' ' ' LEU . . . . . 0.637 ' O ' HD21 ' B' ' 84' ' ' LEU . 2.8 mm? -65.41 -41.75 93.3 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.769 175.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . 0.69 ' HG ' ' O ' ' B' ' 77' ' ' ILE . 37.6 mt -68.73 -39.21 80.5 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.601 0.238 . . . . 0.0 111.15 -177.797 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -59.55 -45.6 91.32 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 173.12 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 83' ' ' LEU . . . . . 0.509 HD22 HG12 ' B' ' 58' ' ' ILE . 35.2 tp -58.17 -46.58 85.48 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.398 176.374 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 84' ' ' LEU . . . . . 0.637 HD21 ' O ' ' B' ' 80' ' ' LEU . 3.6 mm? -65.85 -3.73 5.57 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.979 -176.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 85' ' ' SER . . . . . 0.423 ' OG ' HD13 ' A' ' 108' ' ' LEU . 22.8 m -101.73 -27.27 13.14 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.903 0.382 . . . . 0.0 110.57 177.744 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 86' ' ' ALA . . . . . 0.436 ' HB3' HG12 ' B' ' 39' ' ' VAL . . . -72.16 -45.86 58.74 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-O 121.501 0.667 . . . . 0.0 110.587 -177.221 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 87' ' ' LEU . . . . . 0.443 HD11 HG13 ' B' ' 88' ' ' VAL . 1.0 OUTLIER -80.16 -14.02 58.79 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.152 -0.931 . . . . 0.0 112.663 -172.043 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 88' ' ' VAL . . . . . 0.443 HG13 HD11 ' B' ' 87' ' ' LEU . 20.6 m -96.26 -23.57 4.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 C-N-CA 120.459 -0.496 . . . . 0.0 110.882 177.128 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 89' ' ' HIS . . . . . . . . . . . . . 50.6 t60 -68.54 -35.38 77.36 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.86 -0.422 . . . . 0.0 109.86 177.571 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 90' ' ' VAL . . . . . . . . . . . . . 32.9 m -64.6 -26.16 39.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.436 -176.038 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 91' ' ' LEU . . . . . 0.441 ' HA ' ' HB1' ' B' ' 94' ' ' ALA . 3.5 mm? -65.84 -22.85 66.57 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.565 -0.289 . . . . 0.0 111.182 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 33.1 t -61.94 -28.05 69.26 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-O 121.085 0.469 . . . . 0.0 110.666 179.184 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 25.7 m -121.87 13.48 10.66 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-O 121.246 0.546 . . . . 0.0 110.557 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 94' ' ' ALA . . . . . 0.441 ' HB1' ' HA ' ' B' ' 91' ' ' LEU . . . -107.73 97.53 7.24 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-N 115.784 -0.643 . . . . 0.0 110.423 179.209 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 22.8 t -73.46 90.05 1.69 Allowed 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 178.302 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 96' ' ' ILE . . . . . 0.414 HD13 ' HB2' ' A' ' 47' ' ' ALA . 20.9 tt -74.1 141.94 15.46 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.679 179.644 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 97' ' ' GLY . . . . . . . . . . . . . . . -88.85 -116.02 1.4 Allowed Glycine 0 N--CA 1.447 -0.569 0 C-N-CA 120.589 -0.815 . . . . 0.0 112.082 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 98' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -119.92 98.54 6.14 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 120.991 0.424 . . . . 0.0 109.894 -178.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 99' ' ' VAL . . . . . 0.471 HG13 ' HB2' ' A' ' 93' ' ' SER . 13.7 m -76.2 164.43 3.55 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.487 177.442 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 100' ' ' SER . . . . . 0.444 ' C ' ' H ' ' B' ' 102' ' ' VAL . 28.7 m -138.39 149.48 45.58 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.177 -178.567 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 101' ' ' SER . . . . . 0.496 ' HB3' ' HB2' ' A' ' 40' ' ' SER . 41.0 m -76.25 29.12 0.12 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.371 -177.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 102' ' ' VAL . . . . . 0.444 ' H ' ' C ' ' B' ' 100' ' ' SER . 60.3 t -108.28 108.98 26.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.75 -175.852 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . 107.49 -0.89 34.61 Favored Glycine 0 N--CA 1.446 -0.695 0 C-N-CA 120.55 -0.833 . . . . 0.0 112.852 176.022 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 104' ' ' VAL . . . . . . . . . . . . . 21.5 t -60.21 -36.64 69.56 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.231 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 178.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -50.77 -38.44 48.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.446 -0.797 . . . . 0.0 111.074 179.655 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 14.6 m -75.0 -29.98 61.02 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.034 -178.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 13.1 m -67.42 -34.78 77.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.187 0.518 . . . . 0.0 109.889 -179.452 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 108' ' ' LEU . . . . . 0.501 HD12 ' HB3' ' A' ' 30' ' ' LEU . 4.6 mm? -58.82 -28.14 65.75 Favored 'General case' 0 C--O 1.223 -0.341 0 CA-C-N 115.301 -0.863 . . . . 0.0 110.944 176.659 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 109' ' ' ASN . . . . . 0.484 HD21 ' N ' ' B' ' 109' ' ' ASN . 0.8 OUTLIER -74.66 -24.53 58.83 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.031 0.443 . . . . 0.0 110.448 -178.069 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 110' ' ' VAL . . . . . . . . . . . . . 40.5 t -84.81 -40.78 15.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.987 -176.307 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 111' ' ' VAL . . . . . 0.478 HG13 ' O ' ' B' ' 108' ' ' LEU . 10.8 p -59.8 -28.11 39.84 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.367 0 CA-C-O 121.35 0.595 . . . . 0.0 110.932 -178.029 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 112' ' ' GLN . . . . . 0.441 ' HG3' ' O ' ' B' ' 108' ' ' LEU . 26.0 mt-30 -69.99 -23.97 63.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.056 -178.226 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 113' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -87.35 -25.58 23.8 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.738 -170.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 114' ' ' SER . . . . . 0.425 ' HB2' HD13 ' B' ' 58' ' ' ILE . 13.5 p -87.98 -43.56 11.66 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.857 -0.611 . . . . 0.0 112.186 -173.784 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 115' ' ' VAL . . . . . . . . . . . . . 13.1 p -108.63 -17.8 7.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-O 120.84 0.352 . . . . 0.0 111.385 -174.261 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 116' ' ' GLY . . . . . . . . . . . . . . . -61.8 -19.46 58.56 Favored Glycine 0 C--O 1.228 -0.276 0 C-N-CA 120.903 -0.665 . . . . 0.0 112.75 -178.576 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -97.53 12.13 34.49 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.747 0.308 . . . . 0.0 111.057 179.859 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 118' ' ' TYR . . . . . 0.428 ' HB3' HD23 ' B' ' 76' ' ' LEU . 64.4 m-85 -121.64 -26.66 4.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.97 0.414 . . . . 0.0 110.489 176.004 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 119' ' ' VAL . . . . . 0.506 ' O ' ' HB3' ' A' ' 22' ' ' SER . 29.8 m -84.34 -2.49 7.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.863 174.591 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.017 0 CA-C-O 118.123 -1.376 . . . . 0.0 110.52 177.1 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.664 0 N-CA-C 112.025 -0.43 . . . . 0.0 112.025 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 9.4 m -69.91 141.84 53.06 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.769 0.319 . . . . 0.0 110.666 -179.21 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . -168.36 150.26 15.82 Favored Glycine 0 N--CA 1.446 -0.66 0 C-N-CA 120.605 -0.807 . . . . 0.0 112.12 179.373 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' -2' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -83.31 63.88 7.48 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.201 0.524 . . . . 0.0 110.18 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 41.3 m -152.67 133.43 13.95 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.583 179.451 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 31.6 m -94.61 138.92 19.57 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-O 121.222 0.534 . . . . 0.0 111.547 -176.077 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 31.1 p -137.12 172.72 12.59 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.415 -0.811 . . . . 0.0 109.69 176.065 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.3 p -128.34 65.1 1.4 Allowed 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.08 0.467 . . . . 0.0 110.595 177.509 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 156.13 -152.92 24.31 Favored Glycine 0 N--CA 1.447 -0.569 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.174 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 123.07 174.51 14.31 Favored Glycine 0 N--CA 1.445 -0.726 0 C-N-CA 120.92 -0.657 . . . . 0.0 111.686 -179.253 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.505 ' O ' ' HB ' ' A' ' 10' ' ' THR . 30.7 p90 -68.46 -13.0 62.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.989 0.394 . . . . 0.0 111.184 -179.43 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -93.03 -7.14 62.73 Favored Glycine 0 N--CA 1.448 -0.519 0 C-N-CA 120.676 -0.773 . . . . 0.0 111.616 175.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 83.9 m-85 -133.9 54.08 1.97 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.959 0.409 . . . . 0.0 110.429 -179.326 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 119.17 58.24 0.26 Allowed Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 120.892 -0.67 . . . . 0.0 112.54 178.016 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.505 ' HB ' ' O ' ' A' ' 6' ' ' TYR . 8.9 t -84.46 -24.05 29.66 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.753 0.311 . . . . 0.0 111.205 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 49.9 m -155.31 160.97 41.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.685 0.278 . . . . 0.0 110.626 -178.129 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -96.67 172.57 7.82 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.916 -0.583 . . . . 0.0 109.841 175.692 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 58.15 28.26 16.21 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 121.179 0.514 . . . . 0.0 111.348 -178.648 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -122.83 166.58 14.76 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.023 -179.582 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -155.41 -173.09 23.69 Favored Glycine 0 N--CA 1.446 -0.651 0 C-N-CA 120.592 -0.813 . . . . 0.0 112.018 -178.658 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 62.98 89.57 0.09 Allowed 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 121.392 0.615 . . . . 0.0 111.164 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 67.16 48.31 59.9 Favored Glycine 0 N--CA 1.453 -0.193 0 CA-C-N 115.437 -0.802 . . . . 0.0 112.62 -177.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.473 ' CG2' ' HA ' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -87.16 -36.65 10.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 120.613 0.244 . . . . 0.0 111.572 178.458 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -141.09 -174.29 3.96 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.486 -0.324 . . . . 0.0 110.729 -178.167 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -100.14 36.43 1.85 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.988 0.423 . . . . 0.0 110.501 179.241 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.438 ' HA3' ' HA3' ' B' ' 21' ' ' GLY . . . 176.84 -41.96 0.1 Allowed Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 120.593 -0.813 . . . . 0.0 113.103 -177.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.447 ' HB3' ' O ' ' B' ' 119' ' ' VAL . 27.0 m -108.12 138.48 44.32 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.684 0.278 . . . . 0.0 111.518 -178.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.473 ' HA ' ' CG2' ' A' ' 18' ' ' VAL . 0.7 OUTLIER -152.43 127.04 9.42 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.116 179.599 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -86.04 -26.29 25.43 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 120.844 0.354 . . . . 0.0 110.911 176.528 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.67 -28.04 67.3 Favored Glycine 0 C--N 1.332 0.319 0 C-N-CA 120.864 -0.684 . . . . 0.0 112.534 -179.582 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.417 ' HB2' ' HB2' ' A' ' 78' ' ' GLN . . . -80.25 8.42 7.43 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.126 0.489 . . . . 0.0 111.107 179.391 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.478 HG21 ' CD1' ' A' ' 81' ' ' LEU . 3.4 t -116.7 -44.17 3.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.871 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 27.1 m-80 -64.9 -23.78 67.33 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-O 120.942 0.401 . . . . 0.0 111.37 -175.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 15.5 ptm180 -86.43 5.44 35.09 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.426 -177.53 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 96.1 mt -75.07 -25.44 58.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.818 0.342 . . . . 0.0 110.692 178.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 14.6 p -78.83 -1.2 33.79 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.191 0.52 . . . . 0.0 110.81 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 35.0 t -87.89 170.55 11.06 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.656 177.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.34 -15.38 62.5 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.827 -179.428 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -53.08 -66.0 0.46 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.7 179.529 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.505 ' O ' HG23 ' A' ' 39' ' ' VAL . . . -67.69 -47.15 70.25 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.099 -178.771 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -55.82 -26.13 44.98 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.885 -175.442 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 23.0 t -86.22 -20.01 29.15 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 111.988 0.366 . . . . 0.0 111.988 179.633 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.471 ' HD2' ' OE1' ' A' ' 82' ' ' GLU . 68.6 mtt180 -98.02 -46.8 5.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.735 0.779 . . . . 0.0 109.504 -178.137 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.505 HG23 ' O ' ' A' ' 35' ' ' ALA . 59.9 t -59.28 -43.87 90.88 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-N 114.383 -1.28 . . . . 0.0 111.324 -178.454 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.458 ' HB2' ' CB ' ' B' ' 101' ' ' SER . 77.7 p -69.63 -18.49 63.6 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.335 -176.598 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 41.7 t -84.41 -8.78 58.86 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.956 0.408 . . . . 0.0 110.545 -179.039 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 44.0 m-80 -122.54 -1.79 9.01 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.275 -174.488 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.503 HG13 ' N ' ' A' ' 44' ' ' ALA . 5.2 pt -62.19 -40.54 88.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.943 0.401 . . . . 0.0 110.67 177.868 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.503 ' N ' HG13 ' A' ' 43' ' ' ILE . . . -80.28 -6.65 58.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.202 0.525 . . . . 0.0 110.724 -177.636 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -86.97 -51.76 5.84 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.079 178.2 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 48.7 mt -65.33 -34.69 72.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.465 179.359 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.446 ' HB2' HD12 ' B' ' 96' ' ' ILE . . . -63.53 -16.43 60.72 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.261 178.645 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 35.5 t -108.21 -2.64 19.19 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.258 -176.376 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -132.86 -27.37 0.59 Allowed Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.017 -1.087 . . . . 0.0 113.799 -176.438 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 73.3 -78.09 0.84 Allowed Glycine 0 N--CA 1.447 -0.588 0 N-CA-C 111.447 -0.661 . . . . 0.0 111.447 -178.248 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -119.77 -21.07 7.38 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-O 120.993 0.425 . . . . 0.0 110.34 178.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 17.9 m -74.28 -10.04 59.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.547 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -95.42 -14.95 23.36 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.947 179.654 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 53.1 mt -56.21 -58.61 15.5 Favored Pre-proline 0 C--N 1.326 -0.439 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.888 -176.435 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 28.0 Cg_endo -63.81 -21.88 69.3 Favored 'Trans proline' 0 C--N 1.35 0.627 0 C-N-CA 121.84 1.693 . . . . 0.0 112.39 -177.532 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 15.4 m -82.34 -41.61 19.81 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 120.896 0.379 . . . . 0.0 110.449 179.02 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 78.2 t -83.56 -40.1 15.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.134 -173.664 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.526 HG12 ' HG ' ' A' ' 83' ' ' LEU . 49.7 mt -58.71 -43.8 88.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-O 121.021 0.439 . . . . 0.0 110.406 177.77 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 58.1 m -69.03 -28.33 66.46 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.751 -179.613 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 92.4 m-20 -64.36 -59.25 4.6 Favored 'General case' 0 CA--C 1.517 -0.315 0 CA-C-O 121.396 0.617 . . . . 0.0 110.453 174.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.474 ' O ' HG22 ' A' ' 65' ' ' VAL . 48.1 mt -65.46 -43.63 94.46 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 115.262 -0.881 . . . . 0.0 111.261 -175.709 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.427 ' O ' HG21 ' A' ' 66' ' ' VAL . 55.5 t80 -55.75 -52.33 64.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.51 -0.314 . . . . 0.0 110.523 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 18.4 t -62.96 -30.24 71.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.228 -179.697 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -65.81 -43.69 93.52 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 121.051 -0.595 . . . . 0.0 112.126 178.77 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.474 HG22 ' O ' ' A' ' 61' ' ' ILE . 20.6 t -74.94 -42.32 46.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 120.723 0.297 . . . . 0.0 110.934 -179.248 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.427 HG21 ' O ' ' A' ' 62' ' ' TYR . 75.1 t -58.7 -37.86 68.29 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.258 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.923 -179.457 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.8 -14.84 56.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.699 179.514 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 9.3 t -88.44 -3.45 58.82 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.608 -0.269 . . . . 0.0 110.955 -178.706 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 88.18 31.54 14.1 Favored Glycine 0 C--N 1.33 0.223 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.711 177.716 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 8.9 p -87.38 161.65 2.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 N-CA-C 110.231 -0.285 . . . . 0.0 110.231 178.412 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 44.5 t -70.29 156.36 39.38 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 110.399 -0.223 . . . . 0.0 110.399 176.24 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 12.5 m -60.1 -58.78 7.07 Favored 'General case' 0 CA--C 1.533 0.303 0 N-CA-C 112.149 0.426 . . . . 0.0 112.149 -174.743 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -70.25 -30.03 66.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.97 0.414 . . . . 0.0 110.003 -176.345 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -68.58 -35.74 77.78 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.111 -0.495 . . . . 0.0 109.988 177.476 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -62.95 -41.67 99.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.477 175.437 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -56.69 -46.11 81.36 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.909 178.345 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.66 ' O ' ' HG ' ' A' ' 81' ' ' LEU . 44.4 mm -65.16 -57.14 12.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.672 179.78 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . 0.417 ' HB2' ' HB2' ' A' ' 26' ' ' ALA . 37.4 tp60 -51.81 -51.59 55.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.078 179.064 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.32 -38.6 91.61 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.514 -176.722 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.4 HD22 ' HA ' ' A' ' 80' ' ' LEU . 7.7 mt -70.02 -39.86 75.56 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.658 -0.417 . . . . 0.0 111.175 179.814 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.66 ' HG ' ' O ' ' A' ' 77' ' ' ILE . 15.5 mt -65.16 -37.77 88.43 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 120.986 0.422 . . . . 0.0 109.917 179.672 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.471 ' OE1' ' HD2' ' A' ' 38' ' ' ARG . 45.4 mt-10 -64.21 -41.94 96.83 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.346 171.349 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.526 ' HG ' HG12 ' A' ' 58' ' ' ILE . 3.5 tm? -62.44 -45.54 92.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.319 -179.173 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -72.61 -2.53 20.33 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.645 -177.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 57.8 m -94.9 -35.29 12.09 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.982 0.42 . . . . 0.0 110.381 176.597 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.414 ' O ' HG11 ' A' ' 90' ' ' VAL . . . -64.43 -45.17 88.67 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.849 -176.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.44 HD12 ' N ' ' A' ' 88' ' ' VAL . 1.2 pp -80.23 -17.78 51.32 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 113.073 0.768 . . . . 0.0 113.073 -171.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.44 ' N ' HD12 ' A' ' 87' ' ' LEU . 17.5 m -92.83 -22.07 5.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 C-N-CA 120.248 -0.581 . . . . 0.0 110.791 176.677 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 81.9 t60 -68.2 -37.48 80.93 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.036 176.335 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.507 ' HB ' ' CD1' ' B' ' 96' ' ' ILE . 25.6 m -64.56 -26.88 41.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.614 -174.41 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.466 ' HA ' ' HB3' ' A' ' 94' ' ' ALA . 3.5 mm? -64.75 -19.7 65.94 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.097 179.437 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 23.1 t -60.78 -27.1 67.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.089 179.583 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 10.0 t -127.12 10.3 6.88 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.257 0.551 . . . . 0.0 110.237 179.406 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . 0.466 ' HB3' ' HA ' ' A' ' 91' ' ' LEU . . . -101.09 98.02 8.51 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.235 179.63 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 8.1 t -77.5 88.25 3.84 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.216 0.531 . . . . 0.0 109.847 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.434 HD11 ' HB2' ' B' ' 47' ' ' ALA . 18.5 tt -65.97 149.64 11.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.744 -177.899 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -97.24 -118.16 3.66 Favored Glycine 0 N--CA 1.446 -0.638 0 C-N-CA 120.968 -0.634 . . . . 0.0 111.808 176.103 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -104.0 129.4 51.6 Favored 'General case' 0 C--N 1.321 -0.635 0 O-C-N 122.764 -0.257 . . . . 0.0 110.494 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 2.4 m -125.36 121.95 61.65 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-O 120.947 0.403 . . . . 0.0 110.754 175.137 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 49.8 m -103.3 166.59 10.34 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.858 -179.046 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 5.7 p -77.47 -11.64 59.87 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.957 -0.565 . . . . 0.0 112.075 -175.75 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 3.5 p -75.65 101.96 2.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-O 121.468 0.651 . . . . 0.0 111.363 -175.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 128.21 -14.85 6.19 Favored Glycine 0 N--CA 1.449 -0.451 0 CA-C-N 115.638 -0.71 . . . . 0.0 113.043 176.022 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.457 ' O ' HD13 ' A' ' 108' ' ' LEU . 23.3 t -58.31 -34.46 50.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.958 0.409 . . . . 0.0 110.018 177.635 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -56.05 -41.59 75.27 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.224 -0.898 . . . . 0.0 110.16 178.58 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 35.1 m -77.03 -39.05 51.57 Favored 'General case' 0 CA--C 1.529 0.138 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.632 -179.417 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 29.2 m -58.07 -35.82 71.92 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 121.237 0.542 . . . . 0.0 110.653 179.573 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.547 ' O ' HG13 ' A' ' 111' ' ' VAL . 1.6 mt -61.18 -24.58 66.42 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.451 -0.795 . . . . 0.0 111.916 178.32 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . 0.48 ' N ' HD21 ' A' ' 109' ' ' ASN . 0.8 OUTLIER -72.07 -26.71 62.27 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.985 0.421 . . . . 0.0 110.373 179.275 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 23.0 t -84.79 -37.36 12.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.065 -176.094 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.547 HG13 ' O ' ' A' ' 108' ' ' LEU . 7.3 p -59.93 -29.2 42.78 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.237 0 CA-C-O 121.369 0.604 . . . . 0.0 110.399 -179.718 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . 0.48 ' HG3' ' O ' ' A' ' 108' ' ' LEU . 24.9 mt-30 -66.1 -21.7 66.37 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.413 -0.812 . . . . 0.0 111.056 -179.346 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -82.49 -37.48 25.25 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.58 -176.065 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 5.3 m -79.7 -41.88 25.85 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.29 -0.868 . . . . 0.0 111.887 -170.708 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . 0.413 HG11 ' O ' ' A' ' 111' ' ' VAL . 8.2 p -110.98 -19.99 6.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-O 120.935 0.398 . . . . 0.0 111.647 -174.039 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -64.24 -16.39 60.13 Favored Glycine 0 CA--C 1.517 0.205 0 C-N-CA 121.223 -0.513 . . . . 0.0 113.12 -177.102 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.46 2.31 54.4 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.597 0.237 . . . . 0.0 111.161 179.493 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 74.2 m-85 -111.15 -29.67 7.77 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.997 0.427 . . . . 0.0 110.614 177.004 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 32.0 m -84.86 -4.36 8.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.696 177.183 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.434 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.739 179.188 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.524 0 N-CA-C 112.107 -0.397 . . . . 0.0 112.107 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' -4' ' ' SER . . . . . . . . . . . . . 57.6 m -150.18 99.38 2.8 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.056 0.455 . . . . 0.0 111.071 179.239 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' -3' ' ' GLY . . . . . . . . . . . . . . . -97.8 80.68 0.64 Allowed Glycine 0 N--CA 1.443 -0.869 0 N-CA-C 110.38 -1.088 . . . . 0.0 110.38 173.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' -2' ' ' ASN . . . . . . . . . . . . . 17.7 m120 -70.53 87.6 0.66 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.308 0.575 . . . . 0.0 111.616 -172.518 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' -1' ' ' SER . . . . . . . . . . . . . 47.6 m -133.39 122.7 24.14 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.14 -0.936 . . . . 0.0 108.673 171.751 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 49.1 t -63.13 109.07 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.966 -175.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 18.9 p -133.19 170.52 15.3 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.89 179.705 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 2.7 m -91.08 18.74 6.43 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.805 -178.303 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . 98.01 -36.7 3.82 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.94 -0.647 . . . . 0.0 112.264 -177.445 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . 64.72 -128.38 34.93 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 121.101 -0.571 . . . . 0.0 112.481 177.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 6' ' ' TYR . . . . . 0.48 ' O ' ' HB ' ' B' ' 10' ' ' THR . 29.8 p90 -72.29 -11.44 60.71 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.818 0.342 . . . . 0.0 111.159 179.599 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -74.47 -28.32 63.83 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.539 -0.838 . . . . 0.0 111.069 176.309 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 77.1 m-85 -135.6 70.29 1.43 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.346 0.593 . . . . 0.0 109.651 176.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 134.45 52.66 0.07 OUTLIER Glycine 0 N--CA 1.448 -0.518 0 CA-C-N 115.34 -0.845 . . . . 0.0 112.456 177.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 10' ' ' THR . . . . . 0.48 ' HB ' ' O ' ' B' ' 6' ' ' TYR . 13.9 t -108.63 5.7 25.2 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.107 0.48 . . . . 0.0 110.792 179.53 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 32.9 m -148.07 144.77 28.11 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.485 -178.151 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -85.39 154.22 22.0 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.113 177.179 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . 54.86 57.45 5.64 Favored 'General case' 0 N--CA 1.463 0.175 0 O-C-N 123.589 0.555 . . . . 0.0 111.222 -177.753 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -107.91 163.95 12.68 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.215 0.531 . . . . 0.0 111.294 -177.205 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . -155.92 148.56 18.83 Favored Glycine 0 N--CA 1.444 -0.794 0 N-CA-C 111.176 -0.77 . . . . 0.0 111.176 179.431 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 16' ' ' ALA . . . . . 0.613 ' HA ' ' OE1' ' B' ' 74' ' ' GLU . . . 67.33 104.19 0.05 OUTLIER 'General case' 0 N--CA 1.463 0.204 0 C-N-CA 123.043 0.537 . . . . 0.0 111.056 -177.359 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 73.76 46.09 25.29 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.718 -0.753 . . . . 0.0 111.88 -176.183 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 46.1 t -92.85 -61.05 2.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-O 120.91 0.386 . . . . 0.0 111.179 -179.448 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -128.74 -164.57 1.4 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.618 -176.663 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -93.96 -13.96 26.47 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.675 0.274 . . . . 0.0 111.098 179.086 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . 0.438 ' HA3' ' HA3' ' A' ' 21' ' ' GLY . . . -153.64 16.02 0.64 Allowed Glycine 0 C--O 1.229 -0.191 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.354 176.873 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 37.5 m -137.48 125.16 22.33 Favored 'General case' 0 N--CA 1.447 -0.608 0 CA-C-O 120.678 0.275 . . . . 0.0 110.81 179.21 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 23' ' ' TYR . . . . . 0.463 ' CE1' ' HA ' ' B' ' 74' ' ' GLU . 1.1 m-85 -151.7 119.24 6.05 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-N 116.233 -0.44 . . . . 0.0 109.906 179.609 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.48 -30.16 53.0 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-O 121.177 0.513 . . . . 0.0 110.824 177.639 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.32 -28.52 67.2 Favored Glycine 0 CA--C 1.518 0.23 0 CA-C-N 116.045 -0.525 . . . . 0.0 112.959 -177.241 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 26' ' ' ALA . . . . . 0.444 ' HB2' ' HB2' ' B' ' 78' ' ' GLN . . . -72.33 -19.82 61.58 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.217 0.532 . . . . 0.0 110.381 179.501 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . 0.415 ' CG1' ' HA ' ' A' ' 112' ' ' GLN . 3.1 t -89.56 -39.1 12.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.368 -178.013 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 57.2 m-80 -67.86 -17.61 64.55 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.031 0.382 . . . . 0.0 112.031 -175.502 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 12.8 ptm180 -96.06 11.16 35.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.682 0.277 . . . . 0.0 111.246 -177.517 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . 0.421 HD11 ' HB3' ' B' ' 81' ' ' LEU . 86.8 mt -81.17 -23.65 38.09 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.065 0.46 . . . . 0.0 110.658 -179.805 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 8.5 p -75.39 -3.15 32.02 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.499 0.666 . . . . 0.0 110.265 177.204 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 48.3 t -84.94 154.19 22.35 Favored 'General case' 0 N--CA 1.447 -0.624 0 CA-C-N 115.16 -0.927 . . . . 0.0 110.002 178.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.94 -22.36 62.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.148 -179.292 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -49.52 -58.27 5.51 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.286 -0.87 . . . . 0.0 110.944 178.691 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 35' ' ' ALA . . . . . 0.655 ' O ' HG23 ' B' ' 39' ' ' VAL . . . -63.3 -54.02 43.62 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.276 -0.875 . . . . 0.0 110.666 179.279 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.11 -34.05 20.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.07 -0.514 . . . . 0.0 112.344 -174.59 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 20.1 m -74.86 -20.9 59.54 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 111.852 0.316 . . . . 0.0 111.852 -177.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 38' ' ' ARG . . . . . 0.467 ' HD2' ' OE1' ' B' ' 82' ' ' GLU . 59.3 mtt180 -97.65 -44.66 6.68 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.768 0.794 . . . . 0.0 109.419 -179.087 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . 0.655 HG23 ' O ' ' B' ' 35' ' ' ALA . 21.4 t -62.45 -44.19 99.03 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.827 0 CA-C-N 114.349 -1.296 . . . . 0.0 111.12 -175.787 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 40' ' ' SER . . . . . 0.435 ' O ' HG12 ' B' ' 43' ' ' ILE . 78.2 p -68.93 -19.59 64.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.312 0.577 . . . . 0.0 110.868 -179.884 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 43.4 t -79.4 -10.07 59.73 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.44 -179.258 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 43.3 m-80 -124.29 -2.44 8.06 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.643 -175.202 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 43' ' ' ILE . . . . . 0.509 HG13 ' N ' ' B' ' 44' ' ' ALA . 4.6 pt -61.77 -41.54 90.98 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-O 120.787 0.327 . . . . 0.0 110.662 177.856 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . 0.509 ' N ' HG13 ' B' ' 43' ' ' ILE . . . -78.54 -11.14 59.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.022 0.439 . . . . 0.0 110.939 -177.119 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -84.28 -52.77 5.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.056 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 45.0 mt -64.64 -35.2 74.11 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.344 179.413 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . 0.434 ' HB2' HD11 ' A' ' 96' ' ' ILE . . . -64.84 -20.17 66.26 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.575 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 22.7 t -97.17 -27.95 14.32 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.451 -174.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -115.15 -17.63 6.66 Favored Glycine 0 C--N 1.331 0.285 0 C-N-CA 120.454 -0.879 . . . . 0.0 113.521 -175.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 75.57 -80.08 1.05 Allowed Glycine 0 N--CA 1.448 -0.524 0 N-CA-C 111.613 -0.595 . . . . 0.0 111.613 179.655 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -118.7 -15.06 9.52 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-N 115.096 -0.552 . . . . 0.0 110.21 178.424 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 27.2 t -71.88 -17.15 62.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.833 -0.621 . . . . 0.0 109.901 -179.549 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -94.49 -13.36 26.22 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.341 -178.108 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 54' ' ' LEU . . . . . 0.454 ' N ' ' HD2' ' B' ' 55' ' ' PRO . 32.1 mt -54.08 -57.69 16.91 Favored Pre-proline 0 CA--C 1.534 0.352 0 N-CA-C 112.014 0.376 . . . . 0.0 112.014 -176.03 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 55' ' ' PRO . . . . . 0.454 ' HD2' ' N ' ' B' ' 54' ' ' LEU . 18.5 Cg_endo -58.91 -26.11 79.69 Favored 'Trans proline' 0 C--N 1.355 0.87 0 C-N-CA 122.407 2.071 . . . . 0.0 112.385 -177.661 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 50.6 m -86.56 -42.83 13.18 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.986 -178.685 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 57.3 t -74.11 -39.61 50.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.383 -173.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 58' ' ' ILE . . . . . 0.428 HG12 ' HG ' ' B' ' 83' ' ' LEU . 50.1 mt -61.04 -39.43 82.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.063 176.111 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 31.0 t -68.87 -33.17 73.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.942 0.401 . . . . 0.0 110.185 179.551 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 95.8 m-20 -64.41 -54.0 39.69 Favored 'General case' 0 CA--C 1.519 -0.249 0 CA-C-O 121.277 0.56 . . . . 0.0 110.53 178.225 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . 0.469 ' O ' HG23 ' B' ' 65' ' ' VAL . 58.9 mt -70.28 -45.48 75.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-N 115.434 -0.803 . . . . 0.0 111.452 -176.164 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 62' ' ' TYR . . . . . 0.535 ' O ' HG21 ' B' ' 66' ' ' VAL . 46.0 t80 -54.65 -55.28 31.25 Favored 'General case' 0 C--N 1.331 -0.198 0 O-C-N 123.171 0.294 . . . . 0.0 110.874 -178.129 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 22.1 t -61.3 -32.6 72.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.914 0.388 . . . . 0.0 110.307 -178.622 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -66.66 -41.07 94.1 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.812 -0.709 . . . . 0.0 111.803 179.44 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 65' ' ' VAL . . . . . 0.469 HG23 ' O ' ' B' ' 61' ' ' ILE . 48.7 t -69.91 -41.87 79.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 120.798 0.332 . . . . 0.0 110.454 177.604 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 66' ' ' VAL . . . . . 0.535 HG21 ' O ' ' B' ' 62' ' ' TYR . 87.3 t -60.37 -40.07 82.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.859 179.71 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -72.86 -5.81 40.78 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.729 -179.735 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 21.0 t -86.42 -15.73 39.4 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.535 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 98.36 33.41 5.68 Favored Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.609 -0.805 . . . . 0.0 112.268 -179.417 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . 0.441 HG12 HG12 ' B' ' 65' ' ' VAL . 12.3 p -86.89 160.94 2.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 N-CA-C 110.195 -0.298 . . . . 0.0 110.195 178.364 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 22.8 t -66.06 147.9 52.63 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 173.739 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 9.9 m -52.17 -60.16 3.53 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 113.267 0.839 . . . . 0.0 113.267 -171.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -82.14 -13.5 57.12 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.441 -0.503 . . . . 0.0 110.657 -174.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 74' ' ' GLU . . . . . 0.613 ' OE1' ' HA ' ' B' ' 16' ' ' ALA . 36.1 tt0 -74.35 -29.95 61.8 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 175.716 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -57.75 -36.72 72.47 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 115.089 -0.96 . . . . 0.0 110.819 177.199 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 76' ' ' LEU . . . . . 0.42 HD21 ' HB3' ' B' ' 118' ' ' TYR . 3.0 tm? -57.07 -51.74 68.08 Favored 'General case' 0 CA--C 1.518 -0.251 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.145 178.557 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 77' ' ' ILE . . . . . 0.703 ' O ' ' HG ' ' B' ' 81' ' ' LEU . 33.9 mm -62.6 -54.2 37.13 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-N 115.899 -0.592 . . . . 0.0 111.149 -177.064 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 78' ' ' GLN . . . . . 0.444 ' HB2' ' HB2' ' B' ' 26' ' ' ALA . 19.4 tt0 -57.78 -47.43 82.56 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 121.045 -0.262 . . . . 0.0 111.161 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -59.29 -41.42 88.93 Favored 'General case' 0 CA--C 1.517 -0.319 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.487 179.552 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 80' ' ' LEU . . . . . 0.547 ' O ' HD13 ' B' ' 84' ' ' LEU . 2.1 mm? -62.9 -50.66 69.98 Favored 'General case' 0 N--CA 1.446 -0.632 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.785 176.467 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . 0.703 ' HG ' ' O ' ' B' ' 77' ' ' ILE . 38.7 mt -54.62 -45.3 73.67 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.853 0.359 . . . . 0.0 111.19 -178.701 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 82' ' ' GLU . . . . . 0.467 ' OE1' ' HD2' ' B' ' 38' ' ' ARG . 59.2 mt-10 -66.57 -35.15 79.51 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.736 177.718 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 83' ' ' LEU . . . . . 0.428 ' HG ' HG12 ' B' ' 58' ' ' ILE . 3.4 tm? -64.37 -45.88 85.8 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.133 -0.485 . . . . 0.0 109.963 174.577 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 84' ' ' LEU . . . . . 0.547 HD13 ' O ' ' B' ' 80' ' ' LEU . 10.9 mp -62.09 -14.87 40.77 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.403 -0.817 . . . . 0.0 111.556 -179.733 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 42.6 m -93.53 -33.48 13.75 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.916 0.388 . . . . 0.0 111.399 -175.694 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -68.32 -41.12 81.28 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.207 0.527 . . . . 0.0 111.027 -176.012 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 87' ' ' LEU . . . . . 0.44 HD12 ' N ' ' B' ' 88' ' ' VAL . 1.0 OUTLIER -83.78 -18.0 39.21 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 112.904 0.705 . . . . 0.0 112.904 -172.086 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 88' ' ' VAL . . . . . 0.44 ' N ' HD12 ' B' ' 87' ' ' LEU . 18.5 m -89.76 -21.68 6.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 C-N-CA 120.204 -0.599 . . . . 0.0 110.47 177.034 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 89' ' ' HIS . . . . . . . . . . . . . 71.1 t60 -72.28 -37.16 69.09 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.155 177.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 90' ' ' VAL . . . . . . . . . . . . . 33.2 m -64.14 -27.39 42.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 C-N-CA 120.797 -0.361 . . . . 0.0 111.814 -175.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 91' ' ' LEU . . . . . 0.444 ' HA ' ' HB1' ' B' ' 94' ' ' ALA . 3.0 mm? -66.45 -20.14 65.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.659 0.266 . . . . 0.0 110.949 179.464 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 18.9 t -64.51 -14.89 59.57 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.96 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 22.7 t -142.95 23.14 1.9 Allowed 'General case' 0 C--O 1.236 0.361 0 CA-C-O 121.484 0.659 . . . . 0.0 109.978 176.067 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 94' ' ' ALA . . . . . 0.444 ' HB1' ' HA ' ' B' ' 91' ' ' LEU . . . -106.23 98.52 8.19 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.861 177.068 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 19.8 m -67.92 85.06 0.22 Allowed 'General case' 0 N--CA 1.428 -1.529 0 CA-C-N 115.921 -0.582 . . . . 0.0 111.096 178.533 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 96' ' ' ILE . . . . . 0.507 ' CD1' ' HB ' ' A' ' 90' ' ' VAL . 19.7 tt -73.71 139.99 18.47 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.492 0 CA-C-O 121.019 0.438 . . . . 0.0 111.051 177.374 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 97' ' ' GLY . . . . . . . . . . . . . . . -97.85 -101.59 2.15 Favored Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.756 -179.241 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 98' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -117.3 109.86 17.36 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.669 0.271 . . . . 0.0 111.096 -176.113 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 99' ' ' VAL . . . . . 0.404 ' CG1' HD11 ' B' ' 96' ' ' ILE . 3.3 m -108.41 149.79 11.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.489 174.537 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 100' ' ' SER . . . . . . . . . . . . . 49.9 m -140.92 168.15 20.47 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.034 -179.326 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 101' ' ' SER . . . . . 0.458 ' CB ' ' HB2' ' A' ' 40' ' ' SER . 10.8 p -70.33 -6.52 35.79 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 112.501 0.556 . . . . 0.0 112.501 -174.825 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 102' ' ' VAL . . . . . 0.414 HG11 ' O ' ' B' ' 102' ' ' VAL . 7.3 p -76.65 106.74 6.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 121.706 0.765 . . . . 0.0 111.59 -176.05 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . 116.83 -11.01 15.53 Favored Glycine 0 N--CA 1.449 -0.46 0 CA-C-N 115.471 -0.786 . . . . 0.0 113.627 172.435 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 104' ' ' VAL . . . . . 0.403 ' O ' HD13 ' B' ' 108' ' ' LEU . 26.1 t -57.75 -34.9 49.03 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.258 0 CA-C-O 120.97 0.414 . . . . 0.0 110.328 178.55 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -53.42 -38.51 63.54 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 114.99 -1.005 . . . . 0.0 110.364 178.408 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 5.8 m -80.57 -37.95 30.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.435 -0.802 . . . . 0.0 111.506 -176.39 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 24.1 m -60.82 -35.34 76.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.195 0.521 . . . . 0.0 110.258 179.295 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 108' ' ' LEU . . . . . 0.484 ' O ' HG13 ' B' ' 111' ' ' VAL . 3.1 mt -62.53 -22.67 66.48 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.892 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 109' ' ' ASN . . . . . 0.484 HD21 ' N ' ' B' ' 109' ' ' ASN . 0.8 OUTLIER -70.22 -27.92 64.86 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.034 0.445 . . . . 0.0 110.181 178.55 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 110' ' ' VAL . . . . . . . . . . . . . 18.8 t -84.78 -37.22 12.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.138 -175.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 111' ' ' VAL . . . . . 0.507 ' O ' HG11 ' B' ' 115' ' ' VAL . 7.5 p -62.12 -31.82 52.62 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.359 0 CA-C-O 121.222 0.534 . . . . 0.0 110.27 -178.325 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 112' ' ' GLN . . . . . 0.414 ' HG3' ' O ' ' B' ' 108' ' ' LEU . 25.6 mt-30 -66.76 -25.6 66.57 Favored 'General case' 0 CA--C 1.521 -0.155 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.518 179.751 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 113' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -80.4 -32.87 37.42 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.175 -0.921 . . . . 0.0 111.125 -175.151 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 5.8 m -85.04 -37.25 20.57 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.619 -0.719 . . . . 0.0 112.031 -172.236 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 115' ' ' VAL . . . . . 0.507 HG11 ' O ' ' B' ' 111' ' ' VAL . 14.8 p -111.93 -20.15 6.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-O 120.761 0.315 . . . . 0.0 111.75 -174.058 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 116' ' ' GLY . . . . . . . . . . . . . . . -61.83 -23.38 63.29 Favored Glycine 0 C--N 1.33 0.227 0 C-N-CA 121.26 -0.495 . . . . 0.0 113.246 -175.734 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.49 1.82 50.13 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.579 0.228 . . . . 0.0 111.43 -178.255 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 118' ' ' TYR . . . . . 0.42 ' HB3' HD21 ' B' ' 76' ' ' LEU . 86.3 m-85 -114.32 -31.51 6.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.74 0.305 . . . . 0.0 111.073 178.409 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 119' ' ' VAL . . . . . 0.451 HG21 HG22 ' A' ' 27' ' ' VAL . 27.2 m -83.31 -2.33 6.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.421 179.48 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.976 0 CA-C-O 118.072 -1.404 . . . . 0.0 110.894 177.869 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.767 0 N-CA-C 111.86 -0.496 . . . . 0.0 111.86 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 19.6 m 56.92 80.32 0.16 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.271 0.558 . . . . 0.0 111.396 -178.716 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . 100.75 -167.64 19.98 Favored Glycine 0 N--CA 1.446 -0.697 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.848 -178.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' -2' ' ' ASN . . . . . . . . . . . . . 26.5 t-20 -144.29 -62.63 0.38 Allowed 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.968 0.413 . . . . 0.0 110.41 -179.318 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 41.1 m -132.09 103.24 6.16 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.023 178.247 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 11.9 m -73.96 107.0 4.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 121.512 0.672 . . . . 0.0 111.758 -178.682 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.435 ' HA ' ' HA ' ' B' ' 2' ' ' THR . 13.9 t -156.37 144.11 19.4 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.388 175.506 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.0 p -145.42 -69.86 0.28 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.906 0.384 . . . . 0.0 111.537 -175.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 162.37 -155.7 27.08 Favored Glycine 0 N--CA 1.447 -0.571 0 C-N-CA 121.135 -0.555 . . . . 0.0 111.846 -178.456 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 103.85 19.31 12.11 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.909 -0.663 . . . . 0.0 112.143 -178.396 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 50.6 p90 -142.69 -174.1 4.06 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 110.286 -0.265 . . . . 0.0 110.286 -179.627 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.519 ' O ' ' HA ' ' A' ' 19' ' ' ALA . . . 113.86 -99.28 0.96 Allowed Glycine 0 N--CA 1.447 -0.572 0 N-CA-C 111.172 -0.771 . . . . 0.0 111.172 -176.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -98.68 -6.66 29.24 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.2 0.524 . . . . 0.0 110.036 174.245 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -115.72 26.67 8.79 Favored Glycine 0 N--CA 1.446 -0.677 0 C-N-CA 120.829 -0.7 . . . . 0.0 112.39 -178.437 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 5.5 t -83.27 -30.49 27.57 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.945 0.403 . . . . 0.0 109.977 178.599 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.503 ' O ' ' HA ' ' A' ' 18' ' ' VAL . 49.3 m -155.49 103.73 2.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.025 -0.534 . . . . 0.0 109.839 172.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -84.85 99.81 11.16 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 120.884 0.373 . . . . 0.0 110.676 -179.084 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -151.09 -166.71 2.61 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.303 -178.587 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.41 -12.58 60.55 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.141 0.496 . . . . 0.0 111.159 176.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.44 ' HA3' ' N ' ' A' ' 25' ' ' GLY . . . 157.96 -153.34 24.54 Favored Glycine 0 N--CA 1.446 -0.639 0 C-N-CA 120.958 -0.639 . . . . 0.0 111.726 179.638 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 59.36 41.28 19.93 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-O 121.016 0.436 . . . . 0.0 111.798 176.425 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.432 ' O ' ' HB2' ' A' ' 11' ' ' SER . . . 122.99 23.0 2.3 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.929 178.577 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.512 ' CG2' ' HA ' ' A' ' 23' ' ' TYR . 0.3 OUTLIER -63.04 -53.32 47.96 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.263 0 CA-C-O 121.042 0.449 . . . . 0.0 111.384 178.495 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.519 ' HA ' ' O ' ' A' ' 7' ' ' GLY . . . -117.89 167.32 11.53 Favored 'General case' 0 N--CA 1.446 -0.645 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.187 179.709 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.51 -39.65 94.99 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.06 179.691 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -131.92 23.0 4.22 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.396 -0.907 . . . . 0.0 113.203 -177.406 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.444 ' HB3' ' O ' ' B' ' 119' ' ' VAL . 24.9 m -147.72 136.59 22.01 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.699 0.285 . . . . 0.0 110.621 178.588 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.512 ' HA ' ' CG2' ' A' ' 18' ' ' VAL . 0.2 OUTLIER -149.48 131.77 15.55 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.268 -177.728 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -96.76 -17.15 20.47 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.574 179.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.44 ' N ' ' HA3' ' A' ' 15' ' ' GLY . . . -59.15 -35.24 83.36 Favored Glycine 0 C--N 1.332 0.34 0 C-N-CA 120.865 -0.683 . . . . 0.0 111.981 -177.519 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.484 ' HB2' ' HB2' ' A' ' 78' ' ' GLN . . . -63.67 -24.44 67.79 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.222 -0.489 . . . . 0.0 111.292 177.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.494 HG23 ' CD1' ' A' ' 81' ' ' LEU . 2.6 t -91.4 -42.89 13.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.072 -172.045 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 33.6 m-80 -63.64 -26.42 68.67 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 120.916 0.388 . . . . 0.0 111.001 -175.697 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 12.7 ptm180 -86.58 1.92 50.01 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.782 -175.792 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 93.3 mt -73.19 -24.14 60.5 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.948 0.404 . . . . 0.0 110.996 -179.055 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 17.0 p -80.6 1.01 31.54 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.142 -179.032 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 22.8 m -91.12 169.71 10.62 Favored 'General case' 0 N--CA 1.442 -0.85 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.362 177.42 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.38 -18.35 61.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.796 -179.53 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -53.72 -61.86 2.03 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.946 -178.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.513 ' O ' HG23 ' A' ' 39' ' ' VAL . . . -68.12 -49.34 61.72 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.268 -178.602 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -51.01 -35.48 34.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 112.082 -174.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 21.7 t -78.86 -21.67 47.19 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.919 -177.316 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.435 ' HD2' ' OE1' ' A' ' 82' ' ' GLU . 65.0 mtt180 -95.45 -44.06 7.71 Favored 'General case' 0 CA--C 1.515 -0.392 0 CA-C-O 121.925 0.869 . . . . 0.0 109.42 -177.808 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.513 HG23 ' O ' ' A' ' 35' ' ' ALA . 59.2 t -63.55 -38.19 81.59 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.813 0 CA-C-N 114.16 -1.382 . . . . 0.0 110.927 -177.196 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.473 ' O ' HG12 ' A' ' 43' ' ' ILE . 79.5 p -69.35 -20.08 63.85 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.107 0.48 . . . . 0.0 110.921 179.698 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 39.5 t -85.2 -7.92 58.81 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.639 -177.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 41.3 m-80 -122.69 -1.97 8.91 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.524 -175.335 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.517 HG13 ' N ' ' A' ' 44' ' ' ALA . 5.5 pt -61.77 -42.19 93.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.931 0.396 . . . . 0.0 111.069 177.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.517 ' N ' HG13 ' A' ' 43' ' ' ILE . . . -76.54 -16.41 59.63 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.012 0.434 . . . . 0.0 110.663 -176.091 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -79.66 -52.37 8.05 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.185 -178.752 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.406 HG22 ' HB3' ' A' ' 87' ' ' LEU . 34.6 mt -66.36 -32.87 60.02 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.246 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.221 179.633 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.431 ' HB3' HD13 ' B' ' 96' ' ' ILE . . . -64.29 -25.34 68.01 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.676 179.078 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 33.4 t -91.65 -38.54 12.38 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.033 -178.225 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -92.97 -31.19 8.72 Favored Glycine 0 CA--C 1.518 0.265 0 C-N-CA 120.737 -0.745 . . . . 0.0 113.525 -175.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 79.14 -73.06 2.39 Favored Glycine 0 N--CA 1.449 -0.447 0 N-CA-C 111.417 -0.673 . . . . 0.0 111.417 -177.058 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -122.44 -25.77 4.72 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.955 0.407 . . . . 0.0 110.879 -179.728 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 11.1 p -70.43 -15.9 62.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.186 0.517 . . . . 0.0 110.806 -178.576 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -88.59 -16.02 33.58 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.759 -178.207 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.421 ' N ' ' HD2' ' A' ' 55' ' ' PRO . 48.6 mt -55.28 -57.77 18.55 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.783 -177.53 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.421 ' HD2' ' N ' ' A' ' 54' ' ' LEU . 19.5 Cg_endo -60.79 -23.9 77.67 Favored 'Trans proline' 0 C--N 1.354 0.817 0 C-N-CA 121.991 1.794 . . . . 0.0 112.535 -178.487 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 30.3 m -85.6 -44.09 12.92 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.782 0.325 . . . . 0.0 111.186 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 76.3 t -76.65 -38.31 30.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.723 -172.628 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.472 HG12 ' HG ' ' A' ' 83' ' ' LEU . 59.2 mt -59.17 -39.54 78.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.022 176.368 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 35.4 t -68.97 -36.96 78.48 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.073 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -61.1 -54.22 47.39 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-O 121.257 0.551 . . . . 0.0 110.606 178.176 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.452 ' O ' HG22 ' A' ' 65' ' ' VAL . 60.7 mt -68.16 -45.18 83.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 115.446 -0.797 . . . . 0.0 111.386 -176.749 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.45 ' O ' HG22 ' A' ' 66' ' ' VAL . 54.5 t80 -54.66 -49.22 71.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.792 0.33 . . . . 0.0 110.73 -177.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 19.7 m -60.09 -34.35 73.34 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.813 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -71.35 -41.3 59.12 Favored Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 120.611 -0.804 . . . . 0.0 111.464 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.462 HG11 HG12 ' A' ' 70' ' ' VAL . 61.5 t -65.06 -47.7 86.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-O 120.987 0.422 . . . . 0.0 110.909 178.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.45 HG22 ' O ' ' A' ' 62' ' ' TYR . 91.0 t -60.84 -40.75 86.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.889 -179.222 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.76 -19.1 65.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.9 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 67.5 m -74.21 -25.16 59.51 Favored 'General case' 0 N--CA 1.444 -0.755 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.752 -179.086 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 106.34 37.08 2.53 Favored Glycine 0 N--CA 1.453 -0.185 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.278 -177.446 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.462 HG12 HG11 ' A' ' 65' ' ' VAL . 11.6 p -89.91 162.4 2.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 N-CA-C 109.908 -0.405 . . . . 0.0 109.908 178.136 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 25.7 t -67.42 146.18 54.27 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.568 -0.531 . . . . 0.0 109.568 174.113 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 43.0 m -53.59 -46.35 70.32 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.606 0.595 . . . . 0.0 112.606 -173.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.41 ' HB3' ' OH ' ' A' ' 23' ' ' TYR . 2.0 t30 -85.44 -28.29 25.16 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.254 -0.578 . . . . 0.0 110.768 -175.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -68.75 -27.4 65.88 Favored 'General case' 0 C--O 1.234 0.254 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 177.339 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -55.98 -38.82 70.93 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.103 176.513 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.454 ' O ' HD23 ' A' ' 80' ' ' LEU . 3.0 tm? -57.19 -52.51 65.03 Favored 'General case' 0 CA--C 1.518 -0.277 0 CA-C-O 121.3 0.571 . . . . 0.0 109.525 177.098 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.599 ' O ' ' HG ' ' A' ' 81' ' ' LEU . 36.1 mm -60.67 -54.17 38.91 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-N 115.156 -0.929 . . . . 0.0 111.018 -177.401 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . 0.484 ' HB2' ' HB2' ' A' ' 26' ' ' ALA . 24.9 tt0 -58.24 -46.28 86.24 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.552 -0.295 . . . . 0.0 111.202 -179.558 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.2 -42.16 98.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.795 0.331 . . . . 0.0 110.536 -179.202 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.685 ' O ' ' HG ' ' A' ' 84' ' ' LEU . 3.6 mm? -65.44 -43.18 91.23 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.036 177.662 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.599 ' HG ' ' O ' ' A' ' 77' ' ' ILE . 14.8 mt -66.69 -41.55 87.89 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.626 0.25 . . . . 0.0 111.43 -177.119 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.435 ' OE1' ' HD2' ' A' ' 38' ' ' ARG . 54.0 mt-10 -64.34 -35.87 82.28 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.109 0.48 . . . . 0.0 110.281 173.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.472 ' HG ' HG12 ' A' ' 58' ' ' ILE . 3.4 tm? -62.48 -43.73 98.09 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.901 175.374 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.685 ' HG ' ' O ' ' A' ' 80' ' ' LEU . 13.2 mt -64.77 -15.28 61.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.136 -177.769 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 34.9 m -91.77 -32.74 15.27 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 120.918 0.39 . . . . 0.0 110.826 -174.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.417 ' O ' HG11 ' A' ' 90' ' ' VAL . . . -68.32 -40.11 81.75 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.025 -176.273 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.424 ' O ' HG21 ' A' ' 90' ' ' VAL . 1.2 pp -84.9 -16.6 40.58 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 112.944 0.72 . . . . 0.0 112.944 -172.298 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.417 ' N ' HD13 ' A' ' 87' ' ' LEU . 16.9 m -93.37 -22.45 5.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 C-N-CA 120.197 -0.601 . . . . 0.0 110.613 176.213 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 74.8 t60 -69.55 -34.39 74.14 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.248 -0.433 . . . . 0.0 109.915 177.141 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.424 HG21 ' O ' ' A' ' 87' ' ' LEU . 26.7 m -65.31 -26.64 40.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.432 -177.116 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.452 ' HA ' ' HB2' ' A' ' 94' ' ' ALA . 3.1 mm? -63.94 -19.6 65.25 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-O 120.876 0.369 . . . . 0.0 110.923 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 25.7 t -64.82 -23.17 67.15 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.02 179.085 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 8.1 t -131.99 14.96 4.74 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.81 0.814 . . . . 0.0 110.066 178.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . 0.452 ' HB2' ' HA ' ' A' ' 91' ' ' LEU . . . -103.25 96.09 6.54 Favored 'General case' 0 N--CA 1.445 -0.684 0 CA-C-N 115.603 -0.726 . . . . 0.0 109.683 177.868 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 10.6 t -70.67 85.79 0.65 Allowed 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.076 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.417 HD12 ' HB1' ' B' ' 47' ' ' ALA . 15.4 tt -69.65 135.71 27.71 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.465 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.954 179.113 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -85.82 -90.78 0.89 Allowed Glycine 0 N--CA 1.447 -0.631 0 C-N-CA 120.856 -0.688 . . . . 0.0 112.212 -179.02 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 8.8 t30 -142.73 125.89 16.42 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 110.259 -0.274 . . . . 0.0 110.259 179.266 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 8.9 m -107.04 143.18 18.14 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.749 179.57 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 49.0 m -105.42 141.37 37.04 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.509 -179.189 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 44.9 m -81.69 54.5 2.41 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.265 -177.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 7.1 p -150.83 133.62 6.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-O 120.873 0.368 . . . . 0.0 110.729 -179.343 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 101.37 -0.66 53.69 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.871 -0.681 . . . . 0.0 112.25 178.502 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 20.4 t -64.41 -30.2 49.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.663 0.268 . . . . 0.0 110.506 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -49.74 -46.55 50.57 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-O 121.524 0.678 . . . . 0.0 109.834 175.699 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 15.5 m -66.66 -37.45 84.82 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.429 -0.805 . . . . 0.0 111.532 -178.806 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 22.3 m -64.49 -40.77 96.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.213 0.53 . . . . 0.0 110.458 179.054 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.587 ' O ' HG11 ' A' ' 111' ' ' VAL . 4.0 mt -60.36 -38.54 84.17 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.287 -0.869 . . . . 0.0 111.198 178.268 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 14.7 m-80 -59.64 -26.31 65.41 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.489 177.462 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 39.9 t -87.55 -37.92 11.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.359 -178.098 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.587 HG11 ' O ' ' A' ' 108' ' ' LEU . 9.9 p -63.35 -23.7 33.99 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.243 0 CA-C-O 121.472 0.654 . . . . 0.0 110.557 -178.249 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . 0.546 ' HG3' ' O ' ' A' ' 108' ' ' LEU . 21.3 mt-30 -70.58 -19.39 62.87 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.926 179.112 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -84.3 -32.58 24.28 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.063 -175.52 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 11.7 p -82.79 -45.48 14.3 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.921 -173.169 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . 0.432 HG13 HD21 ' B' ' 81' ' ' LEU . 14.9 p -104.24 -18.66 6.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-O 121.067 0.461 . . . . 0.0 110.918 -174.554 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -61.11 -22.19 60.25 Favored Glycine 0 N--CA 1.451 -0.345 0 CA-C-N 115.814 -0.63 . . . . 0.0 112.869 -178.13 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.34 6.26 43.83 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.736 0.303 . . . . 0.0 111.127 -178.746 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . 0.426 ' HB3' HD23 ' A' ' 76' ' ' LEU . 73.9 m-85 -117.91 -34.17 4.25 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.258 0.552 . . . . 0.0 109.868 176.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . 0.421 ' O ' ' HB3' ' B' ' 22' ' ' SER . 33.7 m -87.52 -2.14 8.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.593 177.535 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.461 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.903 178.803 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.059 -0.416 . . . . 0.0 112.059 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' -4' ' ' SER . . . . . . . . . . . . . 31.6 m -84.0 101.22 11.58 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.935 0.398 . . . . 0.0 110.424 179.642 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' -3' ' ' GLY . . . . . . . . . . . . . . . -110.49 163.68 12.32 Favored Glycine 0 N--CA 1.447 -0.614 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.0 -179.471 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' -2' ' ' ASN . . . . . . . . . . . . . 62.9 t30 -158.09 148.87 20.73 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 179.746 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' -1' ' ' SER . . . . . . . . . . . . . 9.9 m -81.6 63.9 6.08 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.076 0.465 . . . . 0.0 111.539 -175.522 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 98.8 t -122.47 115.53 46.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.01 176.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 2' ' ' THR . . . . . 0.435 ' HA ' ' HA ' ' A' ' 2' ' ' THR . 6.5 t -124.58 126.21 45.42 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.91 -178.226 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 24.5 m -78.59 -20.65 50.02 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.212 176.743 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . 86.99 -87.73 1.57 Allowed Glycine 0 N--CA 1.446 -0.693 0 C-N-CA 120.949 -0.643 . . . . 0.0 112.645 176.525 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . 91.28 42.37 4.93 Favored Glycine 0 N--CA 1.447 -0.575 0 N-CA-C 111.244 -0.742 . . . . 0.0 111.244 -173.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 6' ' ' TYR . . . . . . . . . . . . . 15.2 p90 -129.11 -165.3 1.49 Allowed 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 110.261 -0.274 . . . . 0.0 110.261 -178.176 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 7' ' ' GLY . . . . . 0.504 ' O ' ' HA ' ' B' ' 19' ' ' ALA . . . 85.17 -125.92 7.46 Favored Glycine 0 N--CA 1.448 -0.501 0 N-CA-C 110.319 -1.113 . . . . 0.0 110.319 -174.372 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 40.4 t80 -90.12 -8.13 52.06 Favored 'General case' 0 N--CA 1.442 -0.828 0 CA-C-O 121.503 0.668 . . . . 0.0 109.531 173.133 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -92.94 28.16 9.91 Favored Glycine 0 N--CA 1.448 -0.513 0 CA-C-N 115.665 -0.698 . . . . 0.0 112.147 -179.695 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 16.6 p -82.17 -65.99 0.94 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.966 0.412 . . . . 0.0 110.679 179.146 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 65.6 m -154.56 127.42 8.18 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.468 177.703 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -82.09 128.89 34.58 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.115 -178.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -168.55 175.91 5.98 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.602 -0.726 . . . . 0.0 109.393 179.451 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.66 -15.36 61.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.435 0.636 . . . . 0.0 110.396 177.333 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 15' ' ' GLY . . . . . 0.607 ' O ' ' HA3' ' B' ' 25' ' ' GLY . . . 158.61 90.71 0.08 OUTLIER Glycine 0 N--CA 1.441 -1.013 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.614 178.334 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -175.44 98.53 0.07 Allowed 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.211 -0.662 . . . . 0.0 109.211 176.104 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 58.87 41.0 95.92 Favored Glycine 0 CA--C 1.519 0.283 0 C-N-CA 120.657 -0.782 . . . . 0.0 111.902 -174.387 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 2.1 m -79.84 -32.76 14.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.812 0.339 . . . . 0.0 111.646 -176.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 19' ' ' ALA . . . . . 0.504 ' HA ' ' O ' ' B' ' 7' ' ' GLY . . . -135.25 172.57 12.82 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 116.207 -0.452 . . . . 0.0 109.912 179.846 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -65.51 -42.22 92.32 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.185 -178.63 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -134.5 24.03 3.56 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.247 -177.663 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 22' ' ' SER . . . . . 0.421 ' HB3' ' O ' ' A' ' 119' ' ' VAL . 6.0 m -142.66 131.35 22.66 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 120.91 0.386 . . . . 0.0 110.498 179.848 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -147.8 121.58 9.29 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -79.68 -20.19 47.17 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.455 -177.078 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . 0.607 ' HA3' ' O ' ' B' ' 15' ' ' GLY . . . -69.78 -20.33 75.82 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.37 -0.919 . . . . 0.0 112.072 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -80.75 4.12 20.01 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.526 0.679 . . . . 0.0 110.024 175.122 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . 0.442 HG23 ' CD1' ' B' ' 81' ' ' LEU . 2.6 t -117.71 -42.78 2.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.139 -0.937 . . . . 0.0 109.931 179.846 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 63.9 m-20 -69.74 -11.77 61.11 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.241 -0.89 . . . . 0.0 111.461 -175.082 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 76.3 ttt180 -92.99 1.87 57.09 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-O 121.348 0.594 . . . . 0.0 110.404 179.452 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . 0.433 HD13 ' HB3' ' B' ' 81' ' ' LEU . 68.2 mt -79.16 -29.58 43.12 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.253 179.473 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 3.0 p -78.27 7.41 6.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.441 0.638 . . . . 0.0 110.689 178.791 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 67.5 m -91.04 152.55 20.61 Favored 'General case' 0 N--CA 1.437 -1.077 0 CA-C-N 115.237 -0.892 . . . . 0.0 109.637 174.419 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.65 -14.99 62.32 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.972 0.415 . . . . 0.0 111.047 -178.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -57.7 -56.59 19.91 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.856 177.585 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 35' ' ' ALA . . . . . 0.591 ' O ' HG21 ' B' ' 39' ' ' VAL . . . -57.89 -52.0 67.3 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.56 -179.808 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -52.13 -31.0 29.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.395 -178.567 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 10.8 t -74.12 -27.31 60.8 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.563 -178.526 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 38' ' ' ARG . . . . . 0.41 ' HD2' ' OE1' ' B' ' 82' ' ' GLU . 65.1 mtt180 -96.39 -45.45 6.78 Favored 'General case' 0 CA--C 1.516 -0.342 0 CA-C-O 121.931 0.872 . . . . 0.0 109.888 -177.038 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . 0.591 HG21 ' O ' ' B' ' 35' ' ' ALA . 34.7 t -63.36 -36.9 77.98 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.825 0 CA-C-N 114.26 -1.336 . . . . 0.0 110.975 -175.448 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 40' ' ' SER . . . . . 0.451 ' O ' HG12 ' B' ' 43' ' ' ILE . 91.9 p -72.89 -12.24 60.89 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.97 0.414 . . . . 0.0 111.273 -179.029 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 9.8 t -89.55 -15.94 31.79 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.385 0.612 . . . . 0.0 110.034 -179.008 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 45.3 m-80 -112.43 -5.87 14.05 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.087 -174.168 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 43' ' ' ILE . . . . . 0.506 HG13 ' N ' ' B' ' 44' ' ' ALA . 5.3 pt -58.5 -42.19 83.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.972 177.725 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . 0.506 ' N ' HG13 ' B' ' 43' ' ' ILE . . . -79.21 -12.95 59.97 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.108 0.48 . . . . 0.0 110.657 -176.255 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -82.06 -49.91 9.67 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.998 -179.598 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 41.4 mt -65.62 -35.7 75.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.158 178.393 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . 0.417 ' HB1' HD12 ' A' ' 96' ' ' ILE . . . -62.72 -23.74 67.32 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.395 178.302 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 13.2 t -92.3 -38.02 12.31 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.207 -176.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -99.01 -21.82 14.75 Favored Glycine 0 CA--C 1.519 0.336 0 C-N-CA 120.399 -0.905 . . . . 0.0 113.457 -175.741 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 77.52 -75.79 1.77 Allowed Glycine 0 N--CA 1.448 -0.555 0 N-CA-C 111.695 -0.562 . . . . 0.0 111.695 -179.552 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -122.87 -27.45 4.27 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.163 0.506 . . . . 0.0 110.587 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 9.8 m -75.6 -3.2 33.01 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.725 -177.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -92.58 -18.01 23.66 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.431 177.461 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 54' ' ' LEU . . . . . 0.463 ' N ' ' HD2' ' B' ' 55' ' ' PRO . 47.5 mt -55.23 -56.34 29.66 Favored Pre-proline 0 CA--C 1.533 0.318 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.9 -177.478 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 55' ' ' PRO . . . . . 0.463 ' HD2' ' N ' ' B' ' 54' ' ' LEU . 14.7 Cg_endo -59.96 -23.2 72.03 Favored 'Trans proline' 0 C--N 1.353 0.798 0 C-N-CA 122.276 1.984 . . . . 0.0 112.621 -177.524 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 20.8 m -89.24 -38.75 14.0 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.029 0.442 . . . . 0.0 110.945 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 54.1 t -80.07 -42.16 21.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.838 -173.46 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 58' ' ' ILE . . . . . 0.515 HG12 ' HG ' ' B' ' 83' ' ' LEU . 58.1 mt -59.12 -37.39 67.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.862 176.818 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 15.8 t -68.64 -38.92 80.86 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.969 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -58.54 -53.51 57.54 Favored 'General case' 0 CA--C 1.517 -0.325 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.727 177.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 50.5 mt -70.58 -43.26 77.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.463 -175.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 62' ' ' TYR . . . . . . . . . . . . . 59.3 t80 -56.31 -48.67 76.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.811 0.338 . . . . 0.0 110.672 -178.427 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 19.7 m -60.42 -30.51 69.67 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.838 179.328 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -73.94 -42.62 36.99 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.956 -0.64 . . . . 0.0 111.692 179.351 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 65' ' ' VAL . . . . . 0.435 HG11 HG11 ' B' ' 70' ' ' VAL . 63.7 t -68.8 -44.36 82.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 120.813 0.34 . . . . 0.0 110.855 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 77.3 t -60.26 -37.19 72.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-O 120.843 0.354 . . . . 0.0 110.806 179.649 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.57 -7.06 23.17 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.818 178.146 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 40.3 t -83.13 -9.66 59.08 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.897 0.38 . . . . 0.0 110.243 177.352 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 91.23 30.26 11.24 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.85 -0.69 . . . . 0.0 112.217 178.133 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . 0.435 HG11 HG11 ' B' ' 65' ' ' VAL . 11.6 p -97.88 158.58 3.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-O 120.595 0.236 . . . . 0.0 110.458 -179.079 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 35.0 t -67.53 144.55 55.58 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 110.085 -0.339 . . . . 0.0 110.085 175.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 4.0 m -55.5 -46.75 76.93 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 112.323 0.49 . . . . 0.0 112.323 -175.053 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -68.72 -34.51 75.75 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.931 0.396 . . . . 0.0 110.205 -175.34 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -77.05 -32.22 56.76 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.074 0.464 . . . . 0.0 109.923 178.701 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -62.39 -37.28 85.14 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.91 176.694 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 76' ' ' LEU . . . . . 0.465 ' O ' ' HB2' ' B' ' 80' ' ' LEU . 2.7 tm? -55.35 -44.38 75.91 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.097 -0.501 . . . . 0.0 109.953 178.313 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 77' ' ' ILE . . . . . 0.6 ' O ' ' HG ' ' B' ' 81' ' ' LEU . 46.6 mm -67.72 -55.46 16.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.89 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 78' ' ' GLN . . . . . . . . . . . . . 41.4 tp60 -53.42 -50.16 65.8 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-O 121.037 0.446 . . . . 0.0 111.058 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.31 -37.01 85.81 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.115 -177.05 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 80' ' ' LEU . . . . . 0.589 ' O ' HD21 ' B' ' 84' ' ' LEU . 4.3 mt -70.18 -39.3 75.34 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.928 178.841 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . 0.6 ' HG ' ' O ' ' B' ' 77' ' ' ILE . 23.6 mt -69.09 -37.29 78.35 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-O 120.727 0.299 . . . . 0.0 110.845 -179.235 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 82' ' ' GLU . . . . . 0.41 ' OE1' ' HD2' ' B' ' 38' ' ' ARG . 44.8 mt-10 -62.35 -34.77 77.31 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.15 0.5 . . . . 0.0 109.899 170.26 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 83' ' ' LEU . . . . . 0.515 ' HG ' HG12 ' B' ' 58' ' ' ILE . 3.4 tm? -68.64 -42.47 77.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.111 0.482 . . . . 0.0 110.063 178.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 84' ' ' LEU . . . . . 0.589 HD21 ' O ' ' B' ' 80' ' ' LEU . 3.7 mm? -66.87 -8.32 28.23 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.646 -0.706 . . . . 0.0 112.379 -176.78 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 37.9 t -100.53 -22.54 14.96 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 120.647 -0.421 . . . . 0.0 110.736 -179.426 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -71.88 -43.69 65.0 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.289 0.566 . . . . 0.0 110.387 -178.018 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 87' ' ' LEU . . . . . 0.485 HD13 ' N ' ' B' ' 88' ' ' VAL . 1.0 OUTLIER -82.29 -20.53 37.31 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.34 -0.845 . . . . 0.0 112.937 -171.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 88' ' ' VAL . . . . . 0.485 ' N ' HD13 ' B' ' 87' ' ' LEU . 22.5 m -90.47 -22.3 6.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 C-N-CA 120.253 -0.579 . . . . 0.0 110.514 176.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 89' ' ' HIS . . . . . . . . . . . . . 64.7 t60 -68.43 -38.51 81.26 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.99 178.087 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 90' ' ' VAL . . . . . 0.402 ' HB ' ' CD1' ' A' ' 96' ' ' ILE . 31.5 m -65.97 -27.63 41.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.77 -175.462 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 91' ' ' LEU . . . . . 0.433 ' HA ' ' HB2' ' B' ' 94' ' ' ALA . 2.6 mm? -62.96 -21.94 66.45 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.611 -0.268 . . . . 0.0 111.122 -179.396 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 22.7 t -65.06 -26.59 68.31 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.808 0.337 . . . . 0.0 110.646 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 21.8 m -117.58 7.64 12.69 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.401 0.619 . . . . 0.0 110.344 179.412 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 94' ' ' ALA . . . . . 0.433 ' HB2' ' HA ' ' B' ' 91' ' ' LEU . . . -106.06 104.01 13.62 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.824 -177.852 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 26.6 t -80.94 92.92 6.23 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.118 0.485 . . . . 0.0 110.077 178.56 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 96' ' ' ILE . . . . . 0.447 HD12 ' CG1' ' B' ' 99' ' ' VAL . 13.6 tt -69.02 146.21 12.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.25 178.746 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 97' ' ' GLY . . . . . . . . . . . . . . . -95.05 -94.81 1.69 Allowed Glycine 0 N--CA 1.448 -0.541 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.243 178.428 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 98' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -137.08 115.69 12.03 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.805 0.336 . . . . 0.0 110.793 179.558 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 99' ' ' VAL . . . . . 0.447 ' CG1' HD12 ' B' ' 96' ' ' ILE . 2.6 m -98.3 131.66 44.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-O 121.12 0.486 . . . . 0.0 111.377 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 100' ' ' SER . . . . . . . . . . . . . 18.2 m -91.45 152.63 20.29 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.944 178.085 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 11.4 p -84.24 7.02 20.5 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.111 0.481 . . . . 0.0 111.375 -179.292 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 44.9 t -104.43 117.07 49.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.428 -176.507 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . 124.97 -10.59 7.86 Favored Glycine 0 N--CA 1.45 -0.371 0 CA-C-N 115.878 -0.601 . . . . 0.0 112.211 177.658 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 104' ' ' VAL . . . . . . . . . . . . . 24.1 t -59.51 -33.05 50.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.848 0.356 . . . . 0.0 110.15 179.01 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -49.37 -46.43 47.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.262 -0.881 . . . . 0.0 110.762 177.012 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 44.7 m -75.39 -37.95 60.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.514 -177.54 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 22.5 m -59.58 -34.78 73.14 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-O 121.364 0.602 . . . . 0.0 110.623 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 108' ' ' LEU . . . . . 0.491 ' O ' ' HG3' ' B' ' 112' ' ' GLN . 4.6 mt -64.54 -22.87 67.09 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.457 -0.792 . . . . 0.0 111.66 179.43 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 109' ' ' ASN . . . . . 0.495 HD21 ' N ' ' B' ' 109' ' ' ASN . 0.8 OUTLIER -72.01 -24.17 61.52 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.226 0.536 . . . . 0.0 109.852 177.974 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 110' ' ' VAL . . . . . . . . . . . . . 25.0 t -85.05 -40.08 14.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.893 -177.287 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 111' ' ' VAL . . . . . 0.478 HG13 ' O ' ' B' ' 108' ' ' LEU . 10.0 p -61.55 -33.53 57.56 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.316 0 CA-C-O 121.0 0.428 . . . . 0.0 110.709 -178.167 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 112' ' ' GLN . . . . . 0.491 ' HG3' ' O ' ' B' ' 108' ' ' LEU . 24.5 mt-30 -66.29 -30.52 70.96 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-O 121.514 0.673 . . . . 0.0 110.283 -179.309 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 113' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -74.54 -27.37 60.49 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 114.741 -1.118 . . . . 0.0 110.894 -173.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 4.3 m -87.39 -41.64 13.44 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.488 -0.778 . . . . 0.0 111.727 -173.022 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 115' ' ' VAL . . . . . 0.465 HG13 HD21 ' A' ' 81' ' ' LEU . 14.9 p -107.77 -21.33 5.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 120.87 0.366 . . . . 0.0 111.7 -171.699 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 116' ' ' GLY . . . . . . . . . . . . . . . -62.32 -17.32 56.1 Favored Glycine 0 CA--C 1.519 0.311 0 CA-C-N 116.283 -0.417 . . . . 0.0 113.466 -175.285 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -92.14 -0.47 57.44 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.769 0.318 . . . . 0.0 111.356 -179.38 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 118' ' ' TYR . . . . . . . . . . . . . 72.8 m-85 -113.86 -30.13 6.84 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.957 178.356 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 119' ' ' VAL . . . . . 0.444 ' O ' ' HB3' ' A' ' 22' ' ' SER . 28.0 m -88.18 -5.32 10.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.714 -179.792 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.919 0 CA-C-O 118.636 -1.091 . . . . 0.0 111.886 -179.202 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.699 0 N-CA-C 112.225 -0.35 . . . . 0.0 112.225 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 12.0 p -82.51 -70.31 0.56 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.762 0.315 . . . . 0.0 110.903 -178.607 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . 91.72 133.21 5.89 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.894 -0.669 . . . . 0.0 112.351 178.403 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' -2' ' ' ASN . . . . . . . . . . . . . 18.0 m120 -145.02 109.69 5.0 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.854 -0.424 . . . . 0.0 109.854 179.701 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' -1' ' ' SER . . . . . 0.44 ' HA ' ' O ' ' B' ' 2' ' ' THR . 20.3 m -99.57 101.48 12.71 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.016 0.436 . . . . 0.0 110.451 179.586 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 39.5 t -118.3 -84.63 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.748 -179.012 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 11.0 p -132.54 136.83 46.86 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.702 0.287 . . . . 0.0 111.288 -178.584 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.1 p -106.91 -166.1 1.14 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.217 -178.612 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -160.28 -134.34 1.65 Allowed Glycine 0 N--CA 1.448 -0.528 0 C-N-CA 121.174 -0.536 . . . . 0.0 111.953 -179.087 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -81.91 54.87 4.88 Favored Glycine 0 CA--C 1.519 0.285 0 C-N-CA 121.27 -0.49 . . . . 0.0 112.954 -176.492 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 10.4 p90 -157.62 -167.51 2.29 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 110.052 -0.351 . . . . 0.0 110.052 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 95.09 -79.51 0.86 Allowed Glycine 0 N--CA 1.448 -0.516 0 N-CA-C 111.355 -0.698 . . . . 0.0 111.355 -179.407 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 63.0 m-85 -95.88 -56.51 2.64 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.144 0.497 . . . . 0.0 109.671 174.782 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -92.27 69.55 1.8 Allowed Glycine 0 N--CA 1.447 -0.596 0 CA-C-N 115.468 -0.787 . . . . 0.0 112.239 -174.648 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 75.4 p -94.03 -36.34 12.17 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.458 0.647 . . . . 0.0 110.157 177.752 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 50.7 m -156.01 -172.46 4.12 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.204 -0.907 . . . . 0.0 108.845 179.014 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -75.33 87.7 2.54 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.111 0.481 . . . . 0.0 110.63 177.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -90.18 168.1 12.2 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.52 179.213 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.47 143.89 46.45 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.156 178.464 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -56.37 84.36 0.01 OUTLIER Glycine 0 C--O 1.224 -0.491 0 O-C-N 123.756 0.66 . . . . 0.0 113.758 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -165.85 90.54 0.46 Allowed 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 178.207 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 74.81 28.6 62.58 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.377 -0.916 . . . . 0.0 111.406 -170.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -69.07 -37.48 76.97 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.304 0 CA-C-O 121.036 0.446 . . . . 0.0 111.356 -179.537 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.415 ' HB1' ' HB2' ' A' ' 22' ' ' SER . . . -128.88 -176.2 3.78 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.991 -0.55 . . . . 0.0 109.745 178.479 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -70.95 -44.76 65.4 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.212 -177.284 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -136.74 25.32 3.1 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.929 -0.653 . . . . 0.0 111.595 -179.078 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.415 ' HB2' ' HB1' ' A' ' 19' ' ' ALA . 16.0 m -136.07 125.48 24.98 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.369 -0.416 . . . . 0.0 110.591 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -148.04 123.48 10.35 Favored 'General case' 0 N--CA 1.449 -0.489 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 179.789 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -80.86 -21.98 40.26 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.64 -175.678 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.01 -30.86 67.38 Favored Glycine 0 C--N 1.329 0.152 0 C-N-CA 121.255 -0.498 . . . . 0.0 112.591 -178.745 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.458 ' HB2' ' HB2' ' A' ' 78' ' ' GLN . . . -71.28 -16.15 62.46 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.93 0.395 . . . . 0.0 110.892 179.098 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 3.3 t -95.05 -41.41 11.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.002 -174.612 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 21.6 m-80 -68.25 -17.86 64.4 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-O 121.222 0.534 . . . . 0.0 110.692 -177.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 79.1 ttt180 -78.78 -9.03 59.3 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.161 -177.384 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.523 ' HB3' HD13 ' B' ' 108' ' ' LEU . 54.3 mt -77.11 -24.38 51.73 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.954 -173.648 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 16.6 p -77.85 0.72 22.84 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.096 0.474 . . . . 0.0 110.855 -178.251 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 35.9 t -87.67 166.68 14.49 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.747 176.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.08 -16.21 63.74 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.188 -179.181 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -55.38 -58.01 9.49 Favored 'General case' 0 CA--C 1.519 -0.237 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.892 179.344 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.607 ' O ' HG23 ' A' ' 39' ' ' VAL . . . -61.27 -54.62 41.73 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.028 -179.208 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -54.41 -28.94 47.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.736 -176.365 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 71.3 m -75.35 -18.37 60.0 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 112.332 0.493 . . . . 0.0 112.332 178.662 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.575 ' HD2' ' OE1' ' A' ' 82' ' ' GLU . 62.1 mtt180 -104.85 -47.31 4.06 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.441 0.638 . . . . 0.0 109.87 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.607 HG23 ' O ' ' A' ' 35' ' ' ALA . 42.9 t -55.6 -51.31 59.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 114.769 -1.105 . . . . 0.0 111.152 -178.8 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.9 m -70.76 -9.83 58.18 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.379 -177.247 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 46.1 t -91.11 -10.62 41.28 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.0 0.429 . . . . 0.0 110.221 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 41.0 m-80 -120.83 -1.0 10.01 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.345 -176.142 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.479 HG13 ' N ' ' A' ' 44' ' ' ALA . 4.1 pt -59.59 -40.28 81.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.97 0.414 . . . . 0.0 110.949 177.576 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.479 ' N ' HG13 ' A' ' 43' ' ' ILE . . . -78.26 -12.85 60.03 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.117 -177.167 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -81.31 -52.02 7.75 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.251 0.548 . . . . 0.0 110.313 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 32.9 mt -66.45 -32.71 59.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.299 -179.636 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.437 ' HB2' HD13 ' B' ' 96' ' ' ILE . . . -65.68 -18.84 65.62 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.254 178.542 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 42.0 t -98.99 -47.04 5.39 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.058 -177.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -90.2 -22.57 34.75 Favored Glycine 0 CA--C 1.519 0.32 0 C-N-CA 120.679 -0.772 . . . . 0.0 113.36 -176.245 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 73.24 -77.96 0.83 Allowed Glycine 0 N--CA 1.45 -0.42 0 N-CA-C 111.597 -0.601 . . . . 0.0 111.597 -178.368 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -114.84 -26.57 7.75 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-O 121.189 0.519 . . . . 0.0 110.295 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 16.3 m -71.66 -11.67 60.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.6 -178.656 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -88.1 -18.32 29.1 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.741 -179.257 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.448 ' N ' ' HD2' ' A' ' 55' ' ' PRO . 32.7 mt -54.8 -56.51 26.63 Favored Pre-proline 0 C--N 1.327 -0.389 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.947 -177.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.448 ' HD2' ' N ' ' A' ' 54' ' ' LEU . 19.2 Cg_endo -60.99 -21.71 72.3 Favored 'Trans proline' 0 C--N 1.352 0.751 0 C-N-CA 122.104 1.869 . . . . 0.0 112.544 -178.629 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 19.3 m -87.39 -45.3 10.67 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.921 0.391 . . . . 0.0 110.797 179.598 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 73.2 t -75.55 -42.68 42.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.499 -172.057 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.495 HG12 HD22 ' A' ' 83' ' ' LEU . 60.7 mt -58.45 -40.79 79.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.384 177.768 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 8.6 t -70.19 -36.7 74.8 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.175 -178.321 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -59.44 -51.52 69.55 Favored 'General case' 0 CA--C 1.52 -0.209 0 CA-C-O 121.397 0.618 . . . . 0.0 110.334 177.477 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.455 ' O ' HG21 ' A' ' 65' ' ' VAL . 52.1 mt -72.08 -43.49 66.87 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 115.199 -0.909 . . . . 0.0 111.293 -176.384 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.433 ' O ' HG21 ' A' ' 66' ' ' VAL . 51.5 t80 -54.65 -52.73 61.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.792 -178.909 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 33.5 t -58.94 -33.83 71.05 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.565 179.731 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -70.28 -38.58 71.45 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.983 -0.627 . . . . 0.0 112.091 -179.112 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.455 HG21 ' O ' ' A' ' 61' ' ' ILE . 46.5 t -74.34 -45.12 47.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-O 120.732 0.301 . . . . 0.0 110.845 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.433 HG21 ' O ' ' A' ' 62' ' ' TYR . 86.2 t -59.63 -37.37 70.37 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.309 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.159 -178.709 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.5 -16.13 53.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.697 -179.754 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 16.9 t -77.51 -19.82 55.24 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.841 0.353 . . . . 0.0 110.883 -179.339 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 102.13 33.92 4.44 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.415 -178.556 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.446 HG13 HG13 ' A' ' 65' ' ' VAL . 14.9 p -97.79 159.83 3.14 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 N-CA-C 110.065 -0.346 . . . . 0.0 110.065 179.387 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 40.1 t -68.52 157.5 35.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.526 0.203 . . . . 0.0 110.528 178.217 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 13.0 m -56.39 -53.73 53.94 Favored 'General case' 0 CA--C 1.532 0.275 0 N-CA-C 112.29 0.478 . . . . 0.0 112.29 -174.18 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 24.3 t-20 -75.86 -35.5 59.89 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.624 -0.43 . . . . 0.0 110.89 -176.036 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -63.47 -31.96 73.27 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.225 0.536 . . . . 0.0 109.582 177.534 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -66.36 -45.31 80.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.62 174.093 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -53.56 -46.73 70.37 Favored 'General case' 0 CA--C 1.519 -0.234 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.76 177.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.76 ' O ' ' HG ' ' A' ' 81' ' ' LEU . 38.4 mm -60.15 -58.56 6.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.018 178.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . 0.458 ' HB2' ' HB2' ' A' ' 26' ' ' ALA . 51.2 tt0 -57.63 -48.69 78.75 Favored 'General case' 0 N--CA 1.461 0.094 0 CA-C-O 120.773 0.32 . . . . 0.0 111.355 -177.884 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.04 -33.02 72.64 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.234 -178.536 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.556 ' O ' HD23 ' A' ' 84' ' ' LEU . 6.3 mt -71.88 -39.83 69.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.863 0.363 . . . . 0.0 110.501 175.149 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.76 ' HG ' ' O ' ' A' ' 77' ' ' ILE . 48.6 mt -63.72 -36.66 84.58 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.019 0.438 . . . . 0.0 110.512 178.576 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.575 ' OE1' ' HD2' ' A' ' 38' ' ' ARG . 50.8 mt-10 -74.53 -13.22 60.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.764 175.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.495 HD22 HG12 ' A' ' 58' ' ' ILE . 23.3 tp -88.31 -44.09 11.06 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.052 0.453 . . . . 0.0 110.559 174.784 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.556 HD23 ' O ' ' A' ' 80' ' ' LEU . 4.5 mm? -67.13 -2.84 6.19 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.569 -0.742 . . . . 0.0 111.894 -176.235 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.462 ' CB ' HD12 ' B' ' 108' ' ' LEU . 1.2 p -101.77 -28.34 12.51 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.029 177.729 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -72.64 -47.3 48.74 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.468 0.652 . . . . 0.0 110.585 -177.501 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.427 HD13 ' N ' ' A' ' 88' ' ' VAL . 1.0 OUTLIER -77.34 -17.13 58.52 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.267 -0.879 . . . . 0.0 112.695 -172.642 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.427 ' N ' HD13 ' A' ' 87' ' ' LEU . 16.9 m -90.5 -26.47 5.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 C-N-CA 120.479 -0.488 . . . . 0.0 110.711 177.606 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 45.7 t60 -68.55 -36.01 78.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.112 179.239 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 25.0 m -65.02 -26.75 40.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.17 -176.466 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.443 ' HA ' ' HB2' ' A' ' 94' ' ' ALA . 3.2 mm? -65.69 -23.9 66.88 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 120.659 0.266 . . . . 0.0 111.344 -179.278 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 32.3 t -61.28 -31.72 71.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.266 0.555 . . . . 0.0 110.071 178.45 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.429 ' HB2' HG13 ' B' ' 99' ' ' VAL . 49.4 m -106.31 -23.82 12.45 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.796 -179.119 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . 0.443 ' HB2' ' HA ' ' A' ' 91' ' ' LEU . . . -74.55 103.96 5.07 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-N 115.56 -0.745 . . . . 0.0 111.243 -178.791 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 4.5 p -77.0 86.73 3.52 Favored 'General case' 0 N--CA 1.419 -1.983 0 CA-C-N 115.265 -0.88 . . . . 0.0 110.452 176.757 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.456 HD13 ' HB2' ' B' ' 47' ' ' ALA . 21.0 tt -70.33 148.15 11.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.912 -179.671 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -97.41 -100.58 2.05 Favored Glycine 0 N--CA 1.447 -0.593 0 C-N-CA 120.833 -0.699 . . . . 0.0 111.879 178.501 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -130.62 125.69 34.73 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.873 -0.417 . . . . 0.0 109.873 179.223 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.4 ' CG1' HD12 ' A' ' 96' ' ' ILE . 4.7 m -106.81 132.17 54.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-O 121.054 0.455 . . . . 0.0 111.233 -178.782 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 21.2 m -87.53 148.36 24.94 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.455 178.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 54.4 m -85.0 24.37 1.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.173 0.511 . . . . 0.0 110.651 178.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 60.1 t -117.85 131.42 70.63 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.469 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.918 -176.608 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 103.22 -10.53 54.73 Favored Glycine 0 N--CA 1.45 -0.414 0 CA-C-N 115.871 -0.604 . . . . 0.0 112.624 177.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.47 ' O ' HD13 ' A' ' 108' ' ' LEU . 22.0 t -57.71 -34.67 48.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 176.622 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -48.9 -48.23 42.62 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 114.888 -1.051 . . . . 0.0 111.009 175.296 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 22.2 m -81.1 -28.05 35.37 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.327 -0.851 . . . . 0.0 111.312 -175.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 28.4 m -62.75 -36.33 82.7 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.158 0.504 . . . . 0.0 110.083 176.093 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.556 ' O ' ' HG3' ' A' ' 112' ' ' GLN . 2.3 mt -61.94 -25.33 67.53 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.541 -0.754 . . . . 0.0 111.531 178.489 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . 0.47 ' N ' HD21 ' A' ' 109' ' ' ASN . 0.8 OUTLIER -69.08 -25.53 64.48 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.192 0.52 . . . . 0.0 110.26 178.118 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 41.6 t -85.81 -38.67 13.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.109 -176.156 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.512 HG11 ' O ' ' A' ' 108' ' ' LEU . 8.0 p -62.97 -26.03 39.97 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.396 0 CA-C-O 121.399 0.619 . . . . 0.0 110.651 -177.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . 0.556 ' HG3' ' O ' ' A' ' 108' ' ' LEU . 24.6 mt-30 -70.53 -21.13 62.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.103 -178.622 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -84.18 -32.78 24.4 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.531 -173.163 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 16.8 p -80.58 -46.2 16.11 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.618 -0.719 . . . . 0.0 112.084 -172.456 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 10.5 p -105.69 -18.07 7.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-O 120.96 0.409 . . . . 0.0 111.289 -172.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -56.11 -27.51 51.96 Favored Glycine 0 CA--C 1.519 0.333 0 CA-C-N 116.121 -0.491 . . . . 0.0 113.117 -179.792 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -88.37 4.95 44.37 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 111.756 0.28 . . . . 0.0 111.756 -178.432 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 65.2 m-85 -117.32 -27.8 6.32 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.259 0.552 . . . . 0.0 110.085 177.417 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . 0.438 ' O ' ' HB3' ' B' ' 22' ' ' SER . 26.8 m -87.56 -1.45 8.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.256 173.375 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.497 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.994 179.22 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.416 0 N-CA-C 111.901 -0.48 . . . . 0.0 111.901 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' -4' ' ' SER . . . . . . . . . . . . . 16.5 m -80.31 -25.3 39.41 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.819 0.342 . . . . 0.0 110.581 -179.569 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' -3' ' ' GLY . . . . . . . . . . . . . . . 140.11 90.69 0.19 Allowed Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.513 178.002 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' -2' ' ' ASN . . . . . 0.436 ' C ' HD21 ' B' ' -2' ' ' ASN . 0.2 OUTLIER -103.98 67.41 0.87 Allowed 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 178.363 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' -1' ' ' SER . . . . . . . . . . . . . 37.2 m -83.18 116.1 22.22 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.708 -178.172 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 2.5 m -151.62 -170.8 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.749 179.484 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 2' ' ' THR . . . . . 0.44 ' O ' ' HA ' ' A' ' -1' ' ' SER . 0.9 OUTLIER -77.76 151.52 34.02 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.811 0.339 . . . . 0.0 110.717 175.765 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 11.3 p -116.99 149.41 40.29 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.104 -178.759 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -104.79 -156.03 23.09 Favored Glycine 0 N--CA 1.451 -0.311 0 CA-C-N 115.977 -0.556 . . . . 0.0 112.354 179.318 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -81.36 75.85 2.25 Favored Glycine 0 CA--C 1.519 0.324 0 C-N-CA 121.019 -0.61 . . . . 0.0 113.048 -176.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 6' ' ' TYR . . . . . . . . . . . . . 11.0 p90 -153.49 -168.64 3.06 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.824 -0.436 . . . . 0.0 109.824 177.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . 91.7 -74.18 1.55 Allowed Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.58 176.385 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 8' ' ' TYR . . . . . 0.443 ' HB3' ' O ' ' B' ' 17' ' ' GLY . 63.0 m-85 -65.46 -68.55 0.36 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.975 0.417 . . . . 0.0 110.898 -179.305 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -134.55 83.01 0.29 Allowed Glycine 0 N--CA 1.445 -0.734 0 C-N-CA 120.87 -0.681 . . . . 0.0 111.697 -179.508 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 76.3 p -63.17 -43.83 97.15 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.227 0.537 . . . . 0.0 110.081 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 19.9 m -110.13 167.0 10.51 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.319 -0.855 . . . . 0.0 108.871 173.341 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -74.16 95.01 2.52 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.07 0.462 . . . . 0.0 110.326 177.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -107.74 -170.14 1.64 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.407 -179.608 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.13 121.97 11.31 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.512 178.078 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . -57.99 88.35 0.02 OUTLIER Glycine 0 C--O 1.221 -0.701 0 CA-C-N 115.886 -0.597 . . . . 0.0 113.81 -178.694 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -161.1 96.29 1.09 Allowed 'General case' 0 C--N 1.316 -0.86 0 N-CA-C 108.393 -0.966 . . . . 0.0 108.393 176.126 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 17' ' ' GLY . . . . . 0.443 ' O ' ' HB3' ' B' ' 8' ' ' TYR . . . 66.64 37.67 92.66 Favored Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 120.277 -0.963 . . . . 0.0 110.911 -169.082 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -82.06 -50.22 16.52 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.242 0 CA-C-O 120.975 0.417 . . . . 0.0 111.302 -178.443 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 19' ' ' ALA . . . . . 0.475 ' HB1' ' HB2' ' B' ' 22' ' ' SER . . . -111.09 177.2 4.74 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 116.031 -0.531 . . . . 0.0 109.697 178.902 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.02 -45.51 91.97 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.589 -0.278 . . . . 0.0 110.919 -179.242 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -132.04 11.12 5.37 Favored Glycine 0 CA--C 1.51 -0.225 0 C-N-CA 120.552 -0.832 . . . . 0.0 112.494 -177.6 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 22' ' ' SER . . . . . 0.475 ' HB2' ' HB1' ' B' ' 19' ' ' ALA . 10.8 m -122.33 123.85 42.35 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-O 120.869 0.366 . . . . 0.0 110.998 -177.611 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 23' ' ' TYR . . . . . 0.571 ' CE1' ' HA ' ' B' ' 74' ' ' GLU . 0.1 OUTLIER -148.37 127.38 12.78 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.881 -0.599 . . . . 0.0 109.619 179.25 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -88.27 -19.91 26.16 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 112.279 0.474 . . . . 0.0 112.279 -174.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.41 -30.81 78.88 Favored Glycine 0 CA--C 1.51 -0.229 0 C-N-CA 121.087 -0.578 . . . . 0.0 112.069 -179.554 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 26' ' ' ALA . . . . . 0.425 ' HB3' ' HB2' ' B' ' 78' ' ' GLN . . . -66.79 -20.37 65.93 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.274 0.559 . . . . 0.0 110.334 176.911 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . 0.405 ' CG1' ' HA ' ' A' ' 112' ' ' GLN . 2.3 t -89.92 -44.73 15.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.302 -0.863 . . . . 0.0 109.843 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 62.3 m-20 -66.97 -26.89 67.04 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.658 -176.307 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 78.1 ttt180 -73.88 -9.17 58.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.626 -0.716 . . . . 0.0 111.087 -178.787 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . 0.441 HD11 ' HB3' ' B' ' 81' ' ' LEU . 79.1 mt -69.74 -21.95 63.41 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.029 0.443 . . . . 0.0 111.047 -178.865 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 61.0 p -75.78 -9.89 58.98 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.618 -179.658 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 69.1 m -78.19 152.28 32.77 Favored 'General case' 0 N--CA 1.442 -0.864 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.879 178.119 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.33 -19.48 55.5 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.901 -0.591 . . . . 0.0 111.149 178.76 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -51.64 -57.14 10.01 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.54 177.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 35' ' ' ALA . . . . . 0.645 ' O ' HG22 ' B' ' 39' ' ' VAL . . . -61.31 -54.93 37.61 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.939 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.7 -35.42 31.08 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.958 -175.502 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 29.9 m -73.66 -17.12 61.18 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.965 -177.278 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 38' ' ' ARG . . . . . 0.414 ' HD2' ' OE1' ' B' ' 82' ' ' GLU . 57.2 mtt180 -100.07 -52.51 3.39 Favored 'General case' 0 CA--C 1.514 -0.438 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 178.487 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . 0.645 HG22 ' O ' ' B' ' 35' ' ' ALA . 21.5 t -56.7 -37.79 54.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 114.25 -1.341 . . . . 0.0 111.853 -174.814 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 78.0 p -74.38 -8.47 56.36 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-O 120.854 0.359 . . . . 0.0 111.41 -178.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 19.0 t -98.61 -6.09 30.59 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.49 0.662 . . . . 0.0 109.413 177.543 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 14.7 m120 -102.86 -25.57 13.45 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.256 -0.884 . . . . 0.0 109.824 -176.319 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 43' ' ' ILE . . . . . 0.53 HG13 ' N ' ' B' ' 44' ' ' ALA . 7.1 pt -53.7 -44.95 60.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 114.98 -1.009 . . . . 0.0 112.367 -175.667 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . 0.53 ' N ' HG13 ' B' ' 43' ' ' ILE . . . -78.01 -14.87 59.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.971 0.415 . . . . 0.0 110.983 -174.255 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -83.28 -49.66 9.18 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.224 0.535 . . . . 0.0 110.103 -179.608 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 50.1 mt -66.58 -34.66 71.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.303 179.332 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . 0.456 ' HB2' HD13 ' A' ' 96' ' ' ILE . . . -63.63 -25.81 68.39 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.564 179.56 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 23.0 t -91.32 -36.52 13.8 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.456 -176.102 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -104.13 -19.26 11.88 Favored Glycine 0 CA--C 1.519 0.31 0 C-N-CA 120.461 -0.876 . . . . 0.0 113.628 -174.579 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 75.47 -79.18 1.09 Allowed Glycine 0 N--CA 1.449 -0.494 0 N-CA-C 111.571 -0.612 . . . . 0.0 111.571 179.607 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -117.46 -17.92 9.93 Favored 'General case' 0 C--N 1.314 -0.937 0 CA-C-O 121.19 0.519 . . . . 0.0 110.185 179.554 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 11.2 t -77.37 -6.65 54.1 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.808 -177.74 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -96.67 -18.37 19.73 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.846 179.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 54' ' ' LEU . . . . . 0.426 ' N ' ' HD2' ' B' ' 55' ' ' PRO . 54.9 mt -53.16 -56.79 20.38 Favored Pre-proline 0 CA--C 1.535 0.398 0 CA-C-N 115.844 -0.616 . . . . 0.0 112.137 -176.513 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 55' ' ' PRO . . . . . 0.426 ' HD2' ' N ' ' B' ' 54' ' ' LEU . 27.8 Cg_endo -63.8 -11.09 25.05 Favored 'Trans proline' 0 C--N 1.354 0.846 0 C-N-CA 122.277 1.985 . . . . 0.0 113.044 -176.41 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 70.4 m -100.14 -41.84 6.96 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.789 0.328 . . . . 0.0 111.12 177.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 90.5 t -76.67 -39.66 32.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.33 -173.476 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 58' ' ' ILE . . . . . 0.484 HG12 ' HG ' ' B' ' 83' ' ' LEU . 69.6 mt -60.49 -38.89 79.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 115.861 -0.609 . . . . 0.0 109.954 176.639 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 9.5 t -69.09 -34.97 75.95 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.058 -179.108 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 96.2 m-20 -63.32 -50.29 70.63 Favored 'General case' 0 CA--C 1.52 -0.182 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.682 177.391 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . 0.431 ' O ' HG22 ' B' ' 65' ' ' VAL . 52.1 mt -71.56 -46.34 63.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.646 -176.381 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 62' ' ' TYR . . . . . 0.454 ' O ' HG23 ' B' ' 66' ' ' VAL . 58.7 t80 -55.44 -54.0 49.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.641 -0.254 . . . . 0.0 110.908 -176.523 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 47.3 m -58.13 -33.6 69.33 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.825 178.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -67.97 -40.67 88.8 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.914 -0.66 . . . . 0.0 111.88 179.37 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 65' ' ' VAL . . . . . 0.445 ' O ' ' HB3' ' B' ' 68' ' ' SER . 59.7 t -72.59 -43.35 62.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-O 120.75 0.31 . . . . 0.0 111.058 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 66' ' ' VAL . . . . . 0.454 HG23 ' O ' ' B' ' 62' ' ' TYR . 89.7 t -61.67 -42.66 95.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.53 -0.304 . . . . 0.0 111.201 -178.628 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -71.13 -6.93 43.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.562 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 68' ' ' SER . . . . . 0.445 ' HB3' ' O ' ' B' ' 65' ' ' VAL . 38.5 t -81.33 -27.44 34.98 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.959 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 108.82 28.96 4.28 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.357 -0.925 . . . . 0.0 112.347 -176.745 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . 0.419 HG13 HG11 ' B' ' 65' ' ' VAL . 13.3 p -80.06 159.95 4.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 176.34 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 32.9 t -67.34 151.39 47.55 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.101 -0.703 . . . . 0.0 109.101 174.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 12.5 p -54.59 -65.28 0.6 Allowed 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 113.144 0.794 . . . . 0.0 113.144 -169.642 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -73.97 -19.77 60.56 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.129 0.49 . . . . 0.0 110.197 -176.284 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 74' ' ' GLU . . . . . 0.571 ' HA ' ' CE1' ' B' ' 23' ' ' TYR . 43.9 tt0 -70.83 -29.46 65.61 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.549 -0.751 . . . . 0.0 110.37 178.438 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -56.08 -39.54 72.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.448 -0.796 . . . . 0.0 111.293 178.602 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -56.8 -45.77 82.0 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.007 179.414 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 77' ' ' ILE . . . . . 0.673 ' O ' ' HG ' ' B' ' 81' ' ' LEU . 43.4 mm -63.5 -58.03 9.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.013 -177.017 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 78' ' ' GLN . . . . . 0.425 ' HB2' ' HB3' ' B' ' 26' ' ' ALA . 24.8 tt0 -58.06 -44.88 87.72 Favored 'General case' 0 N--CA 1.465 0.311 0 C-N-CA 121.069 -0.252 . . . . 0.0 111.299 -179.478 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -59.77 -40.09 87.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.966 -179.68 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 80' ' ' LEU . . . . . 0.553 ' O ' HD21 ' B' ' 84' ' ' LEU . 5.7 mt -72.58 -40.52 66.53 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.093 178.721 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . 0.673 ' HG ' ' O ' ' B' ' 77' ' ' ILE . 92.9 mt -60.04 -41.86 93.19 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 120.876 0.369 . . . . 0.0 110.779 179.709 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 82' ' ' GLU . . . . . 0.414 ' OE1' ' HD2' ' B' ' 38' ' ' ARG . 55.2 mt-10 -67.69 -31.62 71.72 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.686 175.645 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 83' ' ' LEU . . . . . 0.484 ' HG ' HG12 ' B' ' 58' ' ' ILE . 3.5 tm? -68.99 -44.2 73.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.08 0.467 . . . . 0.0 109.801 177.798 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 84' ' ' LEU . . . . . 0.553 HD21 ' O ' ' B' ' 80' ' ' LEU . 4.5 mm? -66.81 -10.64 49.9 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.65 -0.705 . . . . 0.0 111.833 -178.857 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 85' ' ' SER . . . . . 0.402 ' OG ' HG12 ' A' ' 111' ' ' VAL . 51.0 m -92.91 -29.41 15.92 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.974 0.416 . . . . 0.0 110.911 -177.032 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -72.16 -44.48 63.0 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.249 0.547 . . . . 0.0 110.843 -177.417 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 87' ' ' LEU . . . . . 0.437 HD13 ' N ' ' B' ' 88' ' ' VAL . 1.3 pp -78.03 -19.36 54.5 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.556 -0.747 . . . . 0.0 112.953 -171.809 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 88' ' ' VAL . . . . . 0.437 ' N ' HD13 ' B' ' 87' ' ' LEU . 16.3 m -89.49 -21.36 6.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 C-N-CA 120.097 -0.641 . . . . 0.0 110.498 176.548 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 89' ' ' HIS . . . . . . . . . . . . . 68.3 t60 -72.24 -34.25 68.14 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.251 178.238 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 90' ' ' VAL . . . . . 0.434 HG21 ' O ' ' B' ' 87' ' ' LEU . 22.8 m -66.27 -26.61 38.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.345 -175.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 91' ' ' LEU . . . . . 0.433 ' HA ' ' HB2' ' B' ' 94' ' ' ALA . 3.5 mm? -66.81 -20.57 65.96 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.908 0.385 . . . . 0.0 110.907 179.624 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 25.9 t -64.49 -24.83 67.75 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.494 179.458 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 18.0 m -123.48 13.94 9.49 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-O 121.169 0.509 . . . . 0.0 110.662 178.625 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 94' ' ' ALA . . . . . 0.433 ' HB2' ' HA ' ' B' ' 91' ' ' LEU . . . -110.55 95.2 5.41 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.965 -179.19 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 13.3 m -71.3 90.45 0.93 Allowed 'General case' 0 N--CA 1.43 -1.449 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.216 175.416 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 96' ' ' ILE . . . . . 0.437 HD13 ' HB2' ' A' ' 47' ' ' ALA . 19.0 tt -66.78 142.29 16.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.875 -178.244 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 97' ' ' GLY . . . . . . . . . . . . . . . -89.51 -103.89 1.1 Allowed Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 121.027 -0.606 . . . . 0.0 112.29 178.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 98' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -128.22 113.48 15.74 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.888 0.375 . . . . 0.0 110.997 -178.006 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 99' ' ' VAL . . . . . 0.429 HG13 ' HB2' ' A' ' 93' ' ' SER . 9.9 m -98.01 154.45 3.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.384 176.441 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 100' ' ' SER . . . . . . . . . . . . . 29.5 m -129.17 151.12 50.19 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 116.261 -0.427 . . . . 0.0 109.898 179.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 16.1 p -83.89 22.03 1.21 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.024 0.44 . . . . 0.0 111.1 -178.677 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 47.6 t -109.09 113.07 43.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.544 -176.789 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . 112.73 -9.38 25.77 Favored Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.465 -0.874 . . . . 0.0 112.898 177.544 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 104' ' ' VAL . . . . . . . . . . . . . 48.3 t -58.97 -33.07 48.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.59 0.195 . . . . 0.0 110.651 179.325 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -48.52 -40.87 28.31 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-O 121.457 0.646 . . . . 0.0 110.324 178.786 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 22.7 m -72.96 -30.51 63.89 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 115.67 -0.695 . . . . 0.0 111.452 -179.436 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 21.9 m -70.27 -30.59 67.66 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-O 120.914 0.388 . . . . 0.0 110.299 -176.503 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 108' ' ' LEU . . . . . 0.574 ' O ' HG11 ' B' ' 111' ' ' VAL . 4.2 mm? -57.45 -34.08 68.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.767 176.089 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 109' ' ' ASN . . . . . . . . . . . . . 14.7 m-80 -68.69 -23.43 64.38 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.185 -178.692 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 110' ' ' VAL . . . . . . . . . . . . . 38.7 t -84.81 -39.39 14.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.587 -178.303 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 111' ' ' VAL . . . . . 0.574 HG11 ' O ' ' B' ' 108' ' ' LEU . 7.7 p -64.0 -30.06 49.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 121.132 0.491 . . . . 0.0 110.274 -179.086 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 112' ' ' GLN . . . . . 0.524 ' HG3' ' O ' ' B' ' 108' ' ' LEU . 24.5 mt-30 -68.02 -24.06 65.07 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.686 178.894 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 113' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -82.32 -35.98 27.4 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.321 -0.854 . . . . 0.0 110.754 -175.252 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 12.1 m -78.85 -44.62 22.53 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.471 -0.786 . . . . 0.0 111.814 -172.372 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 115' ' ' VAL . . . . . 0.46 HG13 ' O ' ' B' ' 111' ' ' VAL . 10.4 p -108.39 -16.92 8.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 120.893 0.378 . . . . 0.0 111.374 -173.876 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 116' ' ' GLY . . . . . . . . . . . . . . . -62.36 -20.23 60.76 Favored Glycine 0 C--O 1.228 -0.251 0 C-N-CA 121.196 -0.526 . . . . 0.0 113.005 -178.251 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -93.92 7.38 45.21 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.675 0.274 . . . . 0.0 111.304 -179.73 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 118' ' ' TYR . . . . . . . . . . . . . 82.4 m-85 -118.42 -26.78 6.14 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.152 0.501 . . . . 0.0 110.271 176.428 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 119' ' ' VAL . . . . . . . . . . . . . 34.3 m -91.08 -1.98 10.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.831 174.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.009 0 CA-C-O 118.402 -1.221 . . . . 0.0 111.804 178.546 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.855 0 N-CA-C 111.579 -0.608 . . . . 0.0 111.579 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 20.1 m -75.98 90.5 3.0 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.251 0.548 . . . . 0.0 110.0 178.373 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . 89.8 98.16 1.1 Allowed Glycine 0 N--CA 1.443 -0.853 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.373 -175.45 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' -2' ' ' ASN . . . . . . . . . . . . . 87.5 m-20 -82.34 101.57 10.67 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.144 0.497 . . . . 0.0 110.544 -178.034 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 3.3 p -86.58 89.83 8.04 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.493 178.572 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 58.4 t -88.32 112.94 24.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 115.516 -0.766 . . . . 0.0 110.381 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 13.8 t -144.67 152.16 40.03 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.145 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.8 t -160.34 160.54 32.53 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.762 -0.459 . . . . 0.0 109.762 -175.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 166.23 162.79 18.47 Favored Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 120.906 -0.664 . . . . 0.0 111.79 -178.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 150.45 -172.93 30.18 Favored Glycine 0 N--CA 1.446 -0.647 0 C-N-CA 121.007 -0.616 . . . . 0.0 111.661 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.403 ' HA ' ' HA ' ' A' ' 10' ' ' THR . 23.6 p90 -147.63 -178.83 6.47 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.047 0.451 . . . . 0.0 111.228 178.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 151.26 -114.98 0.67 Allowed Glycine 0 N--CA 1.45 -0.401 0 N-CA-C 109.906 -1.278 . . . . 0.0 109.906 -175.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 60.7 m-85 -78.03 -45.56 23.32 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 108.299 -1.001 . . . . 0.0 108.299 166.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -91.5 98.39 2.43 Favored Glycine 0 N--CA 1.444 -0.791 0 N-CA-C 110.109 -1.196 . . . . 0.0 110.109 169.724 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.403 ' HA ' ' HA ' ' A' ' 6' ' ' TYR . 40.0 p -86.96 2.74 48.43 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 112.185 0.439 . . . . 0.0 112.185 -172.342 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 61.8 m -154.45 -168.8 3.03 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 -177.588 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -75.15 -16.78 60.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.286 0.565 . . . . 0.0 111.071 -178.121 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -77.45 93.28 4.08 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.502 -0.772 . . . . 0.0 109.921 175.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -84.59 85.46 7.42 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.046 -176.479 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.561 ' HA3' ' N ' ' A' ' 25' ' ' GLY . . . 139.57 -169.58 24.53 Favored Glycine 0 N--CA 1.443 -0.893 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.572 176.387 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.466 ' HA ' ' OE2' ' A' ' 74' ' ' GLU . . . 60.41 83.63 0.14 Allowed 'General case' 0 C--O 1.234 0.279 0 CA-C-O 121.434 0.635 . . . . 0.0 111.168 -179.063 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 72.19 48.5 25.22 Favored Glycine 0 N--CA 1.448 -0.525 0 CA-C-N 115.556 -0.747 . . . . 0.0 112.442 -177.266 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.466 ' CG2' ' HA ' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -90.7 -66.31 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 120.817 0.342 . . . . 0.0 110.863 176.345 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.43 ' H ' HG21 ' A' ' 18' ' ' VAL . . . -104.39 175.14 5.59 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 178.091 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -75.06 -32.38 61.5 Favored 'General case' 0 C--N 1.322 -0.62 0 C-N-CA 121.115 -0.234 . . . . 0.0 111.007 -177.561 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -131.25 5.22 5.63 Favored Glycine 0 CA--C 1.52 0.399 0 C-N-CA 120.53 -0.843 . . . . 0.0 113.338 -178.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 22.9 m -132.65 138.81 47.46 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.943 0.372 . . . . 0.0 111.058 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.466 ' HA ' ' CG2' ' A' ' 18' ' ' VAL . 0.2 OUTLIER -153.14 124.38 7.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.413 -177.544 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -86.96 -19.79 28.25 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.813 0.34 . . . . 0.0 111.002 176.786 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.561 ' N ' ' HA3' ' A' ' 15' ' ' GLY . . . -61.18 -31.94 78.74 Favored Glycine 0 CA--C 1.511 -0.158 0 C-N-CA 121.176 -0.535 . . . . 0.0 112.306 -178.325 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.442 ' HB3' ' HB2' ' A' ' 78' ' ' GLN . . . -67.9 -20.69 65.13 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.209 0.528 . . . . 0.0 110.406 177.777 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.48 ' CG1' ' HA ' ' B' ' 112' ' ' GLN . 3.5 t -89.43 -42.67 14.55 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.486 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.332 -177.094 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 44.4 m-80 -63.96 -31.76 73.06 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.211 0.529 . . . . 0.0 110.286 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 -65.85 -18.85 65.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.475 -178.477 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.467 ' HB3' HD12 ' B' ' 108' ' ' LEU . 79.0 mt -63.24 -27.98 69.71 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.94 0.4 . . . . 0.0 111.801 -176.652 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 63.1 p -73.12 -6.81 48.15 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.0 -178.265 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 49.9 m -81.78 158.14 24.23 Favored 'General case' 0 N--CA 1.442 -0.847 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 177.113 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.25 -17.77 63.91 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 111.767 0.284 . . . . 0.0 111.767 -175.787 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -52.81 -58.11 7.99 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.963 179.127 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.665 ' O ' HG21 ' A' ' 39' ' ' VAL . . . -57.59 -57.72 11.46 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.729 179.595 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.13 -37.23 33.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.786 -176.418 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 22.1 t -70.07 -23.2 63.03 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.797 -177.759 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.432 ' HD2' ' OE1' ' A' ' 82' ' ' GLU . 61.7 mtt180 -96.2 -49.51 5.2 Favored 'General case' 0 CA--C 1.514 -0.434 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 -179.586 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.665 HG21 ' O ' ' A' ' 35' ' ' ALA . 39.0 t -57.78 -37.18 58.36 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-N 114.247 -1.342 . . . . 0.0 111.562 -176.516 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 69.4 p -73.93 -4.7 36.72 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-O 120.735 0.302 . . . . 0.0 111.633 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 19.6 t -100.66 -11.58 19.88 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.63 0.729 . . . . 0.0 109.499 176.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 11.5 m120 -96.43 -25.7 15.6 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.402 -0.817 . . . . 0.0 109.748 -175.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.549 HG13 ' N ' ' A' ' 44' ' ' ALA . 5.2 pt -57.11 -40.08 70.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 114.91 -1.041 . . . . 0.0 111.722 -176.802 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.549 ' N ' HG13 ' A' ' 43' ' ' ILE . . . -80.89 -1.56 43.91 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.798 0.332 . . . . 0.0 111.562 -175.379 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -104.01 -50.59 3.34 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.07 0.462 . . . . 0.0 110.525 178.789 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.421 HG21 ' HB3' ' A' ' 87' ' ' LEU . 50.3 mt -65.81 -33.85 66.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.698 -177.813 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.422 ' HB3' ' CD1' ' B' ' 96' ' ' ILE . . . -63.03 -23.43 67.45 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.979 -178.879 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 59.3 m -91.05 -33.39 15.52 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 112.367 0.506 . . . . 0.0 112.367 -175.48 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -112.47 -20.52 6.54 Favored Glycine 0 CA--C 1.517 0.187 0 C-N-CA 120.124 -1.036 . . . . 0.0 113.486 -175.097 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 76.21 -83.1 0.98 Allowed Glycine 0 N--CA 1.445 -0.766 0 N-CA-C 111.153 -0.779 . . . . 0.0 111.153 -178.037 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -106.95 -21.44 13.01 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-O 121.048 0.451 . . . . 0.0 110.568 -179.168 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 39.7 m -72.22 -9.48 58.51 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.136 -177.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.403 ' HB1' ' HA ' ' A' ' 46' ' ' ILE . . . -104.62 -9.7 18.07 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.081 -178.418 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.405 ' N ' ' HD2' ' A' ' 55' ' ' PRO . 47.4 mt -57.74 -58.67 16.76 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.631 -176.155 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.405 ' HD2' ' N ' ' A' ' 54' ' ' LEU . 19.1 Cg_endo -61.28 -29.99 87.15 Favored 'Trans proline' 0 C--N 1.351 0.683 0 C-N-CA 121.803 1.669 . . . . 0.0 112.391 -177.787 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 13.6 m -76.57 -32.68 58.3 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.124 0.488 . . . . 0.0 111.061 -177.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 76.0 t -90.9 -39.83 12.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.782 -175.139 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.503 HG12 ' HG ' ' A' ' 83' ' ' LEU . 66.6 mt -59.37 -37.74 71.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.892 0.377 . . . . 0.0 110.33 177.327 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 47.1 t -62.93 -41.31 99.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.946 179.096 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 79.9 m-20 -62.37 -52.45 63.57 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.496 -0.775 . . . . 0.0 111.238 179.501 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.4 ' O ' HG21 ' A' ' 65' ' ' VAL . 44.7 mt -65.72 -46.89 87.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.912 -0.586 . . . . 0.0 111.378 -177.74 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.421 ' O ' HG22 ' A' ' 66' ' ' VAL . 53.8 t80 -57.18 -49.52 75.72 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.733 0.301 . . . . 0.0 110.684 -177.15 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 13.3 t -62.9 -30.13 71.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.474 179.758 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -72.27 -42.49 49.79 Favored Glycine 0 N--CA 1.452 -0.294 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.825 179.052 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.492 HG12 HG13 ' A' ' 70' ' ' VAL . 85.7 t -69.18 -44.79 80.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 115.488 -0.356 . . . . 0.0 111.138 -179.442 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.421 HG22 ' O ' ' A' ' 62' ' ' TYR . 80.2 t -60.17 -41.39 86.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.204 -179.429 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.0 -18.09 59.33 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.737 -179.699 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 45.2 t -72.63 -21.73 61.06 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.104 -179.058 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 96.81 39.06 4.22 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.506 -0.854 . . . . 0.0 111.832 -176.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.492 HG13 HG12 ' A' ' 65' ' ' VAL . 14.7 p -94.99 164.51 2.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 N-CA-C 109.917 -0.401 . . . . 0.0 109.917 178.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 31.1 t -66.85 164.96 16.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.641 0.258 . . . . 0.0 110.38 177.088 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 5.3 p -63.37 -69.32 0.28 Allowed 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.309 0.485 . . . . 0.0 112.309 -173.299 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.402 ' HB3' ' OH ' ' A' ' 23' ' ' TYR . 0.2 OUTLIER -69.54 -24.35 63.71 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.099 0.476 . . . . 0.0 110.286 -177.372 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.466 ' OE2' ' HA ' ' A' ' 16' ' ' ALA . 33.5 tt0 -68.64 -33.17 73.55 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.128 -0.487 . . . . 0.0 109.881 178.728 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.93 -40.02 94.07 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.621 176.348 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.414 ' O ' HD21 ' A' ' 80' ' ' LEU . 2.8 tm? -56.67 -50.86 70.85 Favored 'General case' 0 CA--C 1.516 -0.337 0 N-CA-C 109.473 -0.565 . . . . 0.0 109.473 177.625 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.701 ' O ' ' HG ' ' A' ' 81' ' ' LEU . 36.1 mm -60.2 -55.56 23.4 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.984 -177.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . 0.442 ' HB2' ' HB3' ' A' ' 26' ' ' ALA . 21.3 tt0 -57.32 -45.89 83.77 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 120.544 0.212 . . . . 0.0 111.176 -179.751 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -59.99 -41.28 91.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.936 0.398 . . . . 0.0 110.676 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.611 ' O ' HD22 ' A' ' 84' ' ' LEU . 3.5 mm? -67.45 -42.61 82.79 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.126 177.861 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.701 ' HG ' ' O ' ' A' ' 77' ' ' ILE . 74.5 mt -59.78 -45.48 92.15 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.81 0.338 . . . . 0.0 111.057 -179.251 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.432 ' OE1' ' HD2' ' A' ' 38' ' ' ARG . 59.7 mt-10 -64.63 -40.46 95.51 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.092 0.472 . . . . 0.0 110.579 177.409 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.503 ' HG ' HG12 ' A' ' 58' ' ' ILE . 3.5 tm? -60.9 -43.69 98.17 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.22 177.025 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.611 HD22 ' O ' ' A' ' 80' ' ' LEU . 3.9 mm? -66.95 -9.36 37.62 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.706 -0.679 . . . . 0.0 112.13 -178.18 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 35.7 m -95.99 -30.91 13.33 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.002 0.429 . . . . 0.0 110.933 -178.331 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -68.67 -43.5 76.04 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.239 0.542 . . . . 0.0 111.078 -177.345 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.442 HD13 ' N ' ' A' ' 88' ' ' VAL . 1.1 pp -80.23 -18.97 47.98 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.631 -0.713 . . . . 0.0 112.794 -171.864 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.442 ' N ' HD13 ' A' ' 87' ' ' LEU . 17.6 m -91.13 -19.72 7.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 C-N-CA 120.228 -0.589 . . . . 0.0 110.441 176.37 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 51.9 t60 -72.8 -34.44 66.9 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.046 177.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.42 HG21 ' O ' ' A' ' 87' ' ' LEU . 27.5 m -65.73 -28.33 43.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 C-N-CA 120.747 -0.381 . . . . 0.0 111.215 -175.691 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.429 ' HA ' ' HB2' ' A' ' 94' ' ' ALA . 4.1 mm? -65.56 -18.69 65.51 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-O 120.722 0.296 . . . . 0.0 111.294 179.496 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 36.3 t -63.84 -25.72 68.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.826 177.752 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.467 ' HB2' ' CG1' ' B' ' 99' ' ' VAL . 66.1 m -120.75 -17.07 8.07 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.379 0.609 . . . . 0.0 110.981 -179.348 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . 0.514 ' HA ' ' HA ' ' B' ' 96' ' ' ILE . . . -77.89 97.24 5.22 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.117 179.528 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 5.5 p -71.34 88.34 0.87 Allowed 'General case' 0 N--CA 1.427 -1.607 0 CA-C-N 115.038 -0.983 . . . . 0.0 110.612 177.438 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.426 HD13 ' CG1' ' A' ' 99' ' ' VAL . 20.1 tt -65.64 142.0 17.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-O 120.884 0.373 . . . . 0.0 111.346 -178.807 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -90.24 -84.21 1.37 Allowed Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 120.931 -0.652 . . . . 0.0 111.939 178.435 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 9.8 t30 -150.21 124.06 9.27 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.611 0.243 . . . . 0.0 110.398 178.507 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.426 ' CG1' HD13 ' A' ' 96' ' ' ILE . 4.4 m -103.91 147.1 10.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.975 179.047 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 34.3 m -111.36 142.13 43.99 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.42 179.12 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 50.5 m -81.8 38.88 0.53 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.256 -179.284 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 58.1 t -130.48 121.35 50.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.566 -0.288 . . . . 0.0 110.391 -178.331 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 103.75 0.12 45.73 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.528 178.029 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 45.3 t -60.32 -34.01 55.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.657 0.265 . . . . 0.0 110.359 178.392 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -50.96 -42.13 59.73 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.234 179.289 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 21.6 m -67.25 -26.42 66.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.072 -179.594 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 19.9 m -76.29 -32.9 59.03 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.057 0.456 . . . . 0.0 109.906 178.722 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.513 ' O ' HG12 ' A' ' 111' ' ' VAL . 4.4 mm? -59.46 -28.57 67.11 Favored 'General case' 0 C--O 1.224 -0.268 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.756 175.322 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . 0.45 ' N ' HD21 ' A' ' 109' ' ' ASN . 0.9 OUTLIER -73.41 -26.74 61.1 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.868 0.366 . . . . 0.0 110.856 -179.036 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 38.9 t -84.5 -37.24 12.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.089 -176.195 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.513 HG12 ' O ' ' A' ' 108' ' ' LEU . 10.8 p -60.41 -30.17 45.86 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.28 0 CA-C-O 121.337 0.589 . . . . 0.0 110.395 -179.677 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . 0.474 ' HG3' ' O ' ' A' ' 108' ' ' LEU . 22.9 mt-30 -66.91 -27.88 67.85 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.422 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -80.49 -34.12 36.04 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.08 -177.429 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 9.9 m -74.88 -41.82 59.05 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.128 -0.942 . . . . 0.0 112.1 -171.717 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . 0.446 HG11 HD22 ' B' ' 81' ' ' LEU . 14.6 p -121.74 -15.57 6.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 N-CA-C 111.926 0.343 . . . . 0.0 111.926 -173.07 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -57.52 -31.59 63.52 Favored Glycine 0 C--N 1.329 0.142 0 C-N-CA 121.042 -0.599 . . . . 0.0 112.505 -178.786 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.38 -2.85 40.26 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 111.928 0.344 . . . . 0.0 111.928 -178.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 61.2 m-85 -111.34 -28.39 8.24 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-O 120.707 0.289 . . . . 0.0 110.849 179.564 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 35.9 m -86.65 -3.98 9.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 121.226 0.536 . . . . 0.0 110.596 175.378 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.546 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.858 177.798 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.515 0 N-CA-C 112.071 -0.412 . . . . 0.0 112.071 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' -4' ' ' SER . . . . . . . . . . . . . 11.5 m -99.72 -62.03 1.29 Allowed 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.8 0.333 . . . . 0.0 110.898 -179.396 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' -3' ' ' GLY . . . . . . . . . . . . . . . -120.01 93.57 0.54 Allowed Glycine 0 N--CA 1.446 -0.691 0 C-N-CA 120.917 -0.659 . . . . 0.0 112.303 -177.447 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' -2' ' ' ASN . . . . . . . . . . . . . 15.2 m120 -125.39 27.87 6.45 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.118 0.485 . . . . 0.0 110.318 178.384 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' -1' ' ' SER . . . . . . . . . . . . . 10.0 p -78.22 90.8 4.32 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.382 179.747 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 58.3 t -73.16 101.93 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 121.24 0.543 . . . . 0.0 110.511 179.673 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 6.8 p -118.48 100.98 7.8 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.154 179.14 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 8.5 t -102.49 145.3 29.77 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.739 -175.252 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -176.89 43.75 0.1 Allowed Glycine 0 N--CA 1.448 -0.52 0 N-CA-C 111.603 -0.599 . . . . 0.0 111.603 179.72 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -71.17 105.45 1.64 Allowed Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 121.208 -0.52 . . . . 0.0 112.274 -178.624 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 6' ' ' TYR . . . . . . . . . . . . . 51.5 p90 -71.79 163.06 28.49 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.858 0.361 . . . . 0.0 110.415 179.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . 137.86 -92.68 0.21 Allowed Glycine 0 N--CA 1.447 -0.6 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 -178.321 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 58.9 m-85 -131.42 99.22 4.76 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 173.376 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 109.28 64.71 0.55 Allowed Glycine 0 N--CA 1.447 -0.587 0 N-CA-C 111.295 -0.722 . . . . 0.0 111.295 -174.315 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 76.2 p -77.52 -47.05 20.53 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.048 0.451 . . . . 0.0 111.12 -176.175 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 34.9 m -73.46 178.52 4.56 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.824 -179.188 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -73.26 1.14 10.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.025 0.44 . . . . 0.0 111.315 -179.599 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -107.65 53.29 0.69 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.97 -0.559 . . . . 0.0 109.999 176.66 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.94 112.15 1.56 Allowed 'General case' 0 C--O 1.234 0.281 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.984 -177.747 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 135.6 -169.14 23.61 Favored Glycine 0 N--CA 1.441 -1.0 0 N-CA-C 110.929 -0.868 . . . . 0.0 110.929 -177.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 16' ' ' ALA . . . . . 0.55 ' HA ' ' OE2' ' B' ' 74' ' ' GLU . . . 64.3 94.49 0.05 Allowed 'General case' 0 C--O 1.233 0.224 0 CA-C-O 121.302 0.573 . . . . 0.0 111.654 177.326 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 70.93 20.63 77.88 Favored Glycine 0 CA--C 1.519 0.329 0 CA-C-N 115.672 -0.695 . . . . 0.0 113.192 179.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . 0.417 ' CG2' ' HA ' ' B' ' 23' ' ' TYR . 0.2 OUTLIER -66.99 -57.18 10.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 N-CA-C 112.015 0.376 . . . . 0.0 112.015 -178.578 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -117.04 -171.12 1.97 Allowed 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.71 -0.223 . . . . 0.0 110.542 -178.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -79.83 -40.24 28.95 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.771 0.32 . . . . 0.0 111.436 -176.027 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -137.56 16.26 3.57 Favored Glycine 0 N--CA 1.453 -0.198 0 C-N-CA 120.903 -0.665 . . . . 0.0 111.884 179.28 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 51.4 m -131.0 129.23 41.81 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.684 -0.258 . . . . 0.0 110.678 -179.752 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 23' ' ' TYR . . . . . 0.534 ' CE1' ' HA ' ' B' ' 74' ' ' GLU . 0.2 OUTLIER -150.75 123.45 8.58 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.508 -0.315 . . . . 0.0 110.548 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -81.36 -25.54 36.25 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.069 177.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.7 -28.48 71.64 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.951 -0.642 . . . . 0.0 112.694 -178.576 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 26' ' ' ALA . . . . . 0.48 ' HB2' ' HB2' ' B' ' 78' ' ' GLN . . . -71.73 -20.71 61.86 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.394 0.616 . . . . 0.0 110.336 178.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . 0.456 ' CG1' ' HA ' ' A' ' 112' ' ' GLN . 2.5 t -88.29 -38.14 11.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 115.187 -0.915 . . . . 0.0 110.172 -178.448 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 71.4 m-20 -73.5 -7.41 51.7 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.229 -174.454 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 79.5 ttt180 -96.64 -1.5 46.66 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.572 0.701 . . . . 0.0 110.404 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . 0.498 ' HB3' HD13 ' A' ' 108' ' ' LEU . 91.4 mt -75.86 -29.09 58.43 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.554 -176.106 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 7.6 p -77.7 8.43 4.48 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.113 0.482 . . . . 0.0 111.1 179.374 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 74.3 m -85.43 159.11 20.04 Favored 'General case' 0 N--CA 1.442 -0.861 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.385 176.192 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.9 -16.58 63.98 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.985 0.422 . . . . 0.0 110.93 -179.592 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -56.94 -63.67 1.13 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.455 176.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 35' ' ' ALA . . . . . 0.55 ' O ' HG21 ' B' ' 39' ' ' VAL . . . -57.45 -52.05 66.95 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.02 -178.882 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -55.86 -22.83 27.34 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.273 0.471 . . . . 0.0 112.273 -176.727 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 7.7 t -88.04 -20.49 25.7 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.679 0.276 . . . . 0.0 111.339 -179.598 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 38' ' ' ARG . . . . . 0.504 ' HD2' ' OE1' ' B' ' 82' ' ' GLU . 66.8 mtt180 -96.04 -49.39 5.29 Favored 'General case' 0 CA--C 1.514 -0.429 0 CA-C-O 121.651 0.738 . . . . 0.0 109.041 -179.424 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . 0.55 HG21 ' O ' ' B' ' 35' ' ' ALA . 49.0 t -58.21 -34.25 49.25 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 114.253 -1.339 . . . . 0.0 111.167 -178.239 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 50.7 p -74.42 -9.85 58.99 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.535 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 25.9 t -93.41 -16.27 24.76 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.782 0.801 . . . . 0.0 109.139 176.38 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 42' ' ' ASN . . . . . 0.419 ' OD1' HD13 ' B' ' 61' ' ' ILE . 10.7 m120 -93.06 -27.42 16.98 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 114.94 -1.027 . . . . 0.0 109.812 -174.032 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 43' ' ' ILE . . . . . 0.567 HG13 ' N ' ' B' ' 44' ' ' ALA . 4.4 pt -56.88 -37.62 55.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 115.286 -0.87 . . . . 0.0 111.219 -179.607 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . 0.567 ' N ' HG13 ' B' ' 43' ' ' ILE . . . -83.64 -1.51 54.11 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.981 0.419 . . . . 0.0 111.555 -176.397 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -104.81 -52.01 2.95 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.645 179.479 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 44.6 mt -66.05 -33.0 60.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.781 -177.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.69 -29.63 70.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.987 179.362 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 18.0 m -91.18 -35.35 14.58 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.798 -175.424 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -96.41 -23.29 16.91 Favored Glycine 0 CA--C 1.518 0.241 0 C-N-CA 120.486 -0.864 . . . . 0.0 113.24 -175.731 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 76.5 -75.94 1.57 Allowed Glycine 0 N--CA 1.449 -0.438 0 N-CA-C 111.559 -0.616 . . . . 0.0 111.559 -179.613 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -122.84 -27.13 4.33 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 121.011 0.434 . . . . 0.0 110.401 179.479 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 12.0 m -71.13 -10.24 59.42 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.564 -177.682 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -90.64 -15.74 29.88 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.676 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 53.7 mt -54.9 -58.02 16.58 Favored Pre-proline 0 CA--C 1.533 0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.62 -178.441 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 55' ' ' PRO . . . . . . . . . . . . . 20.3 Cg_endo -62.65 -24.82 75.04 Favored 'Trans proline' 0 C--N 1.353 0.766 0 C-N-CA 122.032 1.821 . . . . 0.0 112.506 -179.018 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 8.2 m -78.72 -39.31 36.76 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.228 0.537 . . . . 0.0 110.607 178.768 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 69.1 t -86.33 -40.53 14.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.151 -172.545 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 58' ' ' ILE . . . . . 0.498 HG12 HD23 ' B' ' 83' ' ' LEU . 62.3 mt -58.04 -45.37 88.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 121.074 0.464 . . . . 0.0 110.527 178.074 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 62.8 m -66.73 -23.18 66.07 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.725 -177.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 -77.85 -53.9 6.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.754 177.497 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . 0.419 HD13 ' OD1' ' B' ' 42' ' ' ASN . 40.4 mt -62.86 -45.35 99.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.127 -178.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 62' ' ' TYR . . . . . 0.458 ' O ' HG22 ' B' ' 66' ' ' VAL . 59.6 t80 -56.18 -49.28 74.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.6 -176.767 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 32.2 m -59.53 -33.76 71.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.45 178.406 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -66.87 -40.59 93.63 Favored Glycine 0 N--CA 1.45 -0.374 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.672 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 65' ' ' VAL . . . . . 0.44 HG13 HG13 ' B' ' 70' ' ' VAL . 44.9 t -71.95 -46.18 61.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-O 120.832 0.349 . . . . 0.0 110.966 179.673 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 66' ' ' VAL . . . . . 0.458 HG22 ' O ' ' B' ' 62' ' ' TYR . 86.7 t -59.77 -35.08 58.0 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.242 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.116 -178.415 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -70.5 -6.85 39.18 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.846 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 34.0 t -88.88 -12.68 41.11 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 111.628 0.233 . . . . 0.0 111.628 -177.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 94.13 32.25 7.58 Favored Glycine 0 CA--C 1.515 0.09 0 C-N-CA 120.308 -0.949 . . . . 0.0 112.029 -178.254 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . 0.44 HG13 HG13 ' B' ' 65' ' ' VAL . 12.6 p -85.98 162.71 2.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 C-N-CA 122.619 0.368 . . . . 0.0 110.052 179.449 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 33.4 t -70.81 156.52 39.44 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.931 -0.396 . . . . 0.0 109.931 175.496 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 10.0 p -57.23 -64.04 1.02 Allowed 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.398 0.518 . . . . 0.0 112.398 -173.226 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 73' ' ' ASN . . . . . 0.481 ' HB3' ' OH ' ' B' ' 23' ' ' TYR . 0.2 OUTLIER -71.57 -20.53 62.0 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.11 0.481 . . . . 0.0 110.217 -176.901 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 74' ' ' GLU . . . . . 0.55 ' OE2' ' HA ' ' B' ' 16' ' ' ALA . 35.2 tt0 -74.94 -32.81 61.84 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.178 179.457 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -58.38 -38.95 78.35 Favored 'General case' 0 CA--C 1.519 -0.22 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.721 176.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -55.86 -49.32 73.68 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.053 179.191 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 77' ' ' ILE . . . . . 0.709 ' O ' ' HG ' ' B' ' 81' ' ' LEU . 37.2 mm -64.67 -56.22 17.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.262 -175.347 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 78' ' ' GLN . . . . . 0.48 ' HB2' ' HB2' ' B' ' 26' ' ' ALA . 20.6 tt0 -56.71 -45.87 81.58 Favored 'General case' 0 N--CA 1.464 0.246 0 C-N-CA 120.98 -0.288 . . . . 0.0 110.953 -179.569 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -59.36 -43.17 92.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.945 0.402 . . . . 0.0 110.87 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 80' ' ' LEU . . . . . 0.656 ' O ' HD21 ' B' ' 84' ' ' LEU . 2.7 mm? -65.1 -42.37 94.09 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.103 177.898 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . 0.709 ' HG ' ' O ' ' B' ' 77' ' ' ILE . 41.5 mt -65.22 -40.46 94.12 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.692 0.282 . . . . 0.0 111.392 -176.541 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 82' ' ' GLU . . . . . 0.504 ' OE1' ' HD2' ' B' ' 38' ' ' ARG . 54.1 mt-10 -63.23 -41.9 99.16 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.956 0.408 . . . . 0.0 110.153 174.861 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 83' ' ' LEU . . . . . 0.498 HD23 HG12 ' B' ' 58' ' ' ILE . 32.0 tp -59.22 -45.29 91.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.091 0.472 . . . . 0.0 111.353 176.283 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 84' ' ' LEU . . . . . 0.656 HD21 ' O ' ' B' ' 80' ' ' LEU . 3.8 mm? -64.9 -5.9 7.14 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.463 -0.79 . . . . 0.0 112.132 -176.133 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 85' ' ' SER . . . . . 0.42 ' OG ' HD12 ' A' ' 108' ' ' LEU . 21.4 m -100.29 -25.02 14.39 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 120.871 0.367 . . . . 0.0 110.918 -179.746 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 86' ' ' ALA . . . . . 0.401 ' HB1' HG11 ' B' ' 39' ' ' VAL . . . -74.6 -47.01 34.8 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.65 0.738 . . . . 0.0 110.629 -176.635 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 87' ' ' LEU . . . . . 0.404 HD13 HG13 ' B' ' 88' ' ' VAL . 0.9 OUTLIER -77.93 -14.87 59.39 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 114.979 -1.009 . . . . 0.0 112.775 -172.061 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 88' ' ' VAL . . . . . 0.404 HG13 HD13 ' B' ' 87' ' ' LEU . 19.8 m -96.12 -19.01 6.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 121.009 0.433 . . . . 0.0 110.642 176.528 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 89' ' ' HIS . . . . . . . . . . . . . 60.9 t60 -74.1 -34.26 63.9 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.825 177.735 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 90' ' ' VAL . . . . . . . . . . . . . 34.3 m -66.27 -27.11 39.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.574 -175.454 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 91' ' ' LEU . . . . . 0.456 ' HA ' ' HB2' ' B' ' 94' ' ' ALA . 3.8 mm? -66.38 -22.47 66.25 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.657 -0.247 . . . . 0.0 111.101 -178.826 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 11.2 t -63.13 -27.18 69.2 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.215 0.531 . . . . 0.0 110.333 178.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 8.7 m -120.93 14.19 11.52 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-O 121.191 0.52 . . . . 0.0 110.33 179.747 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 94' ' ' ALA . . . . . 0.456 ' HB2' ' HA ' ' B' ' 91' ' ' LEU . . . -110.38 97.26 6.76 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.793 -178.407 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 1.5 m -68.22 88.54 0.3 Allowed 'General case' 0 N--CA 1.429 -1.496 0 CA-C-N 115.49 -0.777 . . . . 0.0 111.023 177.698 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 96' ' ' ILE . . . . . 0.514 ' HA ' ' HA ' ' A' ' 94' ' ' ALA . 9.9 tt -68.24 139.19 21.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 121.026 0.441 . . . . 0.0 111.77 179.804 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 97' ' ' GLY . . . . . . . . . . . . . . . -86.48 -95.19 0.84 Allowed Glycine 0 N--CA 1.449 -0.469 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.805 177.222 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 98' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -139.65 113.67 8.83 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.842 0.353 . . . . 0.0 110.944 179.48 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 99' ' ' VAL . . . . . 0.467 ' CG1' ' HB2' ' A' ' 93' ' ' SER . 4.0 m -92.23 137.98 20.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.787 176.864 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 100' ' ' SER . . . . . . . . . . . . . 47.4 m -98.01 143.97 28.02 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.015 177.37 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 16.4 m -82.82 11.7 5.69 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.368 0.604 . . . . 0.0 110.495 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 51.0 t -110.58 121.42 63.31 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.519 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.036 -177.572 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . 112.14 -2.39 26.89 Favored Glycine 0 N--CA 1.448 -0.509 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.922 177.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 104' ' ' VAL . . . . . . . . . . . . . 37.9 t -61.29 -29.53 46.07 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.217 0 CA-C-N 116.828 0.314 . . . . 0.0 110.778 178.705 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -47.9 -41.51 24.66 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 121.337 0.589 . . . . 0.0 111.225 178.013 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 13.4 m -64.88 -34.36 78.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.412 -179.29 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 14.4 m -70.93 -34.96 72.01 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.639 -175.353 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 108' ' ' LEU . . . . . 0.582 ' O ' HG11 ' B' ' 111' ' ' VAL . 4.3 mm? -59.23 -36.57 75.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.606 177.087 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 109' ' ' ASN . . . . . . . . . . . . . 17.9 m-80 -67.89 -25.64 65.61 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.378 -178.544 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 110' ' ' VAL . . . . . . . . . . . . . 39.9 t -85.86 -39.78 13.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.054 -176.54 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 111' ' ' VAL . . . . . 0.582 HG11 ' O ' ' B' ' 108' ' ' LEU . 7.1 p -60.88 -26.66 39.35 Favored 'Isoleucine or valine' 0 C--O 1.234 0.266 0 CA-C-O 121.315 0.579 . . . . 0.0 110.497 -178.512 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 112' ' ' GLN . . . . . 0.551 ' HG3' ' O ' ' B' ' 108' ' ' LEU . 24.0 mt-30 -67.84 -20.58 65.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.299 -179.588 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 113' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -85.06 -36.99 20.84 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-O 121.41 0.624 . . . . 0.0 110.066 -176.385 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 4.8 m -76.04 -46.34 29.77 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.17 -0.923 . . . . 0.0 111.894 -171.667 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 115' ' ' VAL . . . . . 0.402 HG12 ' O ' ' B' ' 111' ' ' VAL . 10.3 p -108.42 -20.14 6.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-O 120.951 0.405 . . . . 0.0 111.372 -172.746 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 116' ' ' GLY . . . . . . . . . . . . . . . -59.77 -29.12 66.73 Favored Glycine 0 C--O 1.228 -0.223 0 CA-C-N 116.17 -0.468 . . . . 0.0 113.294 -176.378 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.24 -7.68 59.63 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 122.728 -0.278 . . . . 0.0 111.626 -178.148 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 118' ' ' TYR . . . . . . . . . . . . . 87.9 m-85 -101.58 -30.56 11.31 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.004 0.431 . . . . 0.0 110.806 179.103 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 119' ' ' VAL . . . . . . . . . . . . . 35.9 m -88.99 -3.36 9.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.418 179.107 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.131 0 CA-C-O 118.849 -0.973 . . . . 0.0 112.231 -179.61 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.669 0 N-CA-C 112.066 -0.414 . . . . 0.0 112.066 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 10.9 m -78.49 158.36 28.64 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.629 0.252 . . . . 0.0 111.003 -179.016 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . -97.82 150.29 19.42 Favored Glycine 0 N--CA 1.446 -0.634 0 C-N-CA 121.161 -0.542 . . . . 0.0 112.208 178.77 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' -2' ' ' ASN . . . . . . . . . . . . . 14.9 m120 -95.94 103.39 15.27 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.872 0.368 . . . . 0.0 110.248 -179.586 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 13.6 p -82.63 12.66 4.42 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.087 -0.506 . . . . 0.0 112.138 -175.274 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 27.4 m -92.54 147.43 5.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 120.781 0.324 . . . . 0.0 110.708 -179.771 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 4.3 t -151.91 124.26 8.27 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.283 0.563 . . . . 0.0 111.0 -178.593 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 48.3 m -155.43 148.29 24.37 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.445 177.027 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 165.45 45.98 0.02 OUTLIER Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.342 -0.932 . . . . 0.0 112.917 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -115.13 5.85 21.77 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.827 -0.701 . . . . 0.0 111.904 178.433 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 30.6 p90 -92.2 -177.52 4.69 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.789 0.328 . . . . 0.0 110.646 -177.791 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 127.19 -133.36 7.92 Favored Glycine 0 N--CA 1.447 -0.584 0 N-CA-C 111.495 -0.642 . . . . 0.0 111.495 -177.575 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 36.7 t80 -71.8 -39.63 69.73 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.011 0.434 . . . . 0.0 110.614 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -106.04 45.87 1.25 Allowed Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.6 -0.81 . . . . 0.0 111.985 -179.358 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 4.1 t -77.92 -50.58 11.92 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.172 0.434 . . . . 0.0 112.172 -175.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 19.5 m -142.96 -68.52 0.35 Allowed 'General case' 0 CA--C 1.516 -0.335 0 CA-C-O 121.094 0.474 . . . . 0.0 111.469 -172.406 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -135.44 133.99 39.17 Favored 'General case' 0 N--CA 1.445 -0.707 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.605 -175.195 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -76.56 93.22 3.55 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.534 -0.757 . . . . 0.0 109.846 176.503 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -103.59 -162.87 0.94 Allowed 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.56 -0.746 . . . . 0.0 110.879 -177.444 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.604 ' O ' ' HA3' ' A' ' 25' ' ' GLY . . . -152.3 84.76 0.15 Allowed Glycine 0 N--CA 1.443 -0.838 0 C-N-CA 120.62 -0.8 . . . . 0.0 112.577 -177.632 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -172.55 94.01 0.13 Allowed 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 175.347 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 57.63 47.0 91.5 Favored Glycine 0 CA--C 1.518 0.246 0 C-N-CA 120.682 -0.771 . . . . 0.0 111.473 -171.012 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.404 HG23 ' H ' ' A' ' 19' ' ' ALA . 0.1 OUTLIER -86.18 -65.37 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 N-CA-C 111.942 0.349 . . . . 0.0 111.942 -174.74 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.404 ' H ' HG23 ' A' ' 18' ' ' VAL . . . -101.11 -174.81 2.7 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 120.569 0.224 . . . . 0.0 110.435 -178.01 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -73.33 -45.42 55.37 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.958 0.408 . . . . 0.0 110.625 -179.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -137.19 41.64 1.38 Allowed Glycine 0 N--CA 1.446 -0.643 0 C-N-CA 120.881 -0.675 . . . . 0.0 111.632 -178.422 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.453 ' HB3' ' O ' ' B' ' 119' ' ' VAL . 12.3 m -157.14 125.18 5.5 Favored 'General case' 0 N--CA 1.444 -0.747 0 CA-C-O 120.784 0.326 . . . . 0.0 110.512 -179.341 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.552 ' CE1' ' HA ' ' A' ' 74' ' ' GLU . 0.1 OUTLIER -150.6 117.59 5.91 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.034 179.733 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.19 -27.56 53.64 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.559 -176.733 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.604 ' HA3' ' O ' ' A' ' 15' ' ' GLY . . . -60.49 -30.76 72.49 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.931 -0.652 . . . . 0.0 112.508 -178.159 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.42 ' HB2' ' HB2' ' A' ' 78' ' ' GLN . . . -67.12 -16.61 64.43 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.102 0.477 . . . . 0.0 110.505 178.233 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.453 ' CG1' ' HA ' ' B' ' 112' ' ' GLN . 3.2 t -94.49 -44.03 13.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.235 -179.688 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 49.7 m-80 -62.85 -33.4 75.18 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 120.945 0.402 . . . . 0.0 111.223 -177.32 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 6.1 ptp180 -73.22 -1.03 16.09 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.807 -176.58 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.452 HD11 ' HB3' ' A' ' 81' ' ' LEU . 91.0 mt -73.49 -20.66 60.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.929 0.395 . . . . 0.0 110.986 179.24 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 52.8 p -71.82 -11.48 60.83 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.568 178.437 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 32.6 t -71.34 140.86 50.39 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.749 -0.66 . . . . 0.0 109.99 179.768 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.5 -18.39 39.77 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.924 0.392 . . . . 0.0 111.339 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -57.98 -51.32 70.15 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.205 177.221 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.578 ' O ' HG21 ' A' ' 39' ' ' VAL . . . -59.39 -53.54 56.97 Favored 'General case' 0 CA--C 1.515 -0.371 0 CA-C-N 115.589 -0.732 . . . . 0.0 109.93 176.658 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -51.23 -31.73 21.75 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.904 0.383 . . . . 0.0 111.31 -179.357 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 61.1 m -76.68 -32.09 57.69 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.961 -0.563 . . . . 0.0 112.374 179.094 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 77.2 mtt-85 -90.66 -40.67 11.75 Favored 'General case' 0 CA--C 1.516 -0.333 0 CA-C-O 121.765 0.793 . . . . 0.0 109.733 -175.668 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.578 HG21 ' O ' ' A' ' 35' ' ' ALA . 43.5 t -65.41 -42.14 92.78 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.92 0 CA-C-N 114.394 -1.275 . . . . 0.0 110.841 -178.858 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.494 ' O ' HG12 ' A' ' 43' ' ' ILE . 95.7 p -71.96 -15.57 62.07 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-O 121.14 0.495 . . . . 0.0 110.887 -179.745 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 47.3 t -81.42 -7.9 59.65 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.361 179.635 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 47.3 m-80 -126.14 -2.49 7.01 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.574 -176.552 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.494 HG12 ' O ' ' A' ' 40' ' ' SER . 5.4 pt -59.35 -40.5 81.63 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.234 0 CA-C-O 121.039 0.447 . . . . 0.0 110.57 177.476 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.494 ' N ' HG13 ' A' ' 43' ' ' ILE . . . -79.88 -11.59 59.8 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.91 -177.34 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -82.58 -49.12 10.2 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.203 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 40.0 mt -67.45 -32.06 55.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.041 177.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.421 ' HB3' HD11 ' B' ' 96' ' ' ILE . . . -69.74 -2.11 11.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.402 176.662 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 30.2 t -110.82 -49.32 3.05 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.724 -179.158 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -93.25 -21.02 30.99 Favored Glycine 0 C--N 1.331 0.271 0 C-N-CA 120.532 -0.842 . . . . 0.0 113.328 -176.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 74.27 -74.59 1.23 Allowed Glycine 0 N--CA 1.45 -0.417 0 N-CA-C 112.009 -0.437 . . . . 0.0 112.009 -178.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -117.34 -25.74 6.94 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.135 0.493 . . . . 0.0 110.314 179.583 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 15.4 m -71.15 -14.39 62.26 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.675 -178.562 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -90.5 -16.57 28.65 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.09 -178.028 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.416 HD11 HG13 ' B' ' 88' ' ' VAL . 27.5 mt -56.47 -58.35 17.51 Favored Pre-proline 0 C--N 1.327 -0.406 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.875 -176.415 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.409 ' HD2' ' N ' ' A' ' 54' ' ' LEU . 18.7 Cg_endo -60.48 -24.81 79.02 Favored 'Trans proline' 0 C--N 1.354 0.833 0 C-N-CA 122.156 1.904 . . . . 0.0 112.26 -177.376 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 16.6 m -83.84 -44.59 14.16 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.882 -179.478 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 53.0 t -74.13 -39.26 50.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.099 -175.082 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.48 HG12 ' HG ' ' A' ' 83' ' ' LEU . 63.7 mt -60.68 -36.58 71.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.174 176.091 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 5.5 t -70.1 -36.0 74.55 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.302 -0.408 . . . . 0.0 109.928 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 89.0 m-20 -63.75 -48.87 75.25 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.6 178.269 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 64.8 mt -74.08 -48.47 37.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.746 -176.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.497 ' O ' HG22 ' A' ' 66' ' ' VAL . 54.5 t80 -53.05 -52.56 58.11 Favored 'General case' 0 N--CA 1.466 0.36 0 N-CA-C 111.505 0.187 . . . . 0.0 111.505 -177.299 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 29.5 t -62.09 -31.34 71.77 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.867 0.365 . . . . 0.0 110.392 -179.05 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -71.33 -41.07 59.73 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.792 -0.718 . . . . 0.0 111.401 178.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.475 HG11 HG11 ' A' ' 70' ' ' VAL . 71.5 t -65.58 -47.42 86.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-O 120.937 0.398 . . . . 0.0 110.857 177.724 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.497 HG22 ' O ' ' A' ' 62' ' ' TYR . 76.3 t -62.09 -34.45 63.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.715 -178.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -68.92 -8.34 43.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.832 179.713 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 36.2 t -79.54 -21.34 45.29 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.982 0.42 . . . . 0.0 110.287 177.442 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 101.25 14.13 31.47 Favored Glycine 0 N--CA 1.453 -0.209 0 C-N-CA 120.659 -0.781 . . . . 0.0 112.184 -178.403 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.475 HG11 HG11 ' A' ' 65' ' ' VAL . 15.0 p -71.43 157.31 6.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 N-CA-C 110.184 -0.302 . . . . 0.0 110.184 178.061 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 33.7 t -59.07 136.37 57.93 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 174.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 14.5 m -50.71 -46.91 59.19 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 112.665 0.617 . . . . 0.0 112.665 -173.664 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -77.63 -30.94 52.49 Favored 'General case' 0 C--N 1.329 -0.326 0 C-N-CA 120.935 -0.306 . . . . 0.0 110.607 -175.604 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.552 ' HA ' ' CE1' ' A' ' 23' ' ' TYR . 34.7 tt0 -69.48 -29.63 67.33 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-O 121.128 0.489 . . . . 0.0 110.049 178.204 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.36 -35.1 74.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.503 -0.771 . . . . 0.0 111.274 178.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.413 HD21 ' HB3' ' A' ' 118' ' ' TYR . 2.9 tm? -55.86 -52.05 65.41 Favored 'General case' 0 CA--C 1.517 -0.321 0 CA-C-O 120.999 0.428 . . . . 0.0 109.891 178.154 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.689 ' O ' ' HG ' ' A' ' 81' ' ' LEU . 39.2 mm -60.42 -54.61 32.63 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.789 -177.598 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . 0.42 ' HB2' ' HB2' ' A' ' 26' ' ' ALA . 24.2 tt0 -57.22 -46.68 82.73 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.628 0.252 . . . . 0.0 111.203 179.855 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.57 -39.2 87.12 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.834 -179.703 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.559 ' O ' HD22 ' A' ' 84' ' ' LEU . 2.7 mm? -67.47 -37.5 83.0 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.985 176.206 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.689 ' HG ' ' O ' ' A' ' 77' ' ' ILE . 76.5 mt -69.65 -38.75 77.25 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.802 0.334 . . . . 0.0 111.25 -178.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -72.36 -12.36 61.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.399 0.619 . . . . 0.0 110.593 174.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.48 ' HG ' HG12 ' A' ' 58' ' ' ILE . 3.4 tm? -89.24 -44.95 9.9 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.469 175.622 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.559 HD22 ' O ' ' A' ' 80' ' ' LEU . 4.0 mm? -66.27 -12.3 55.59 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.45 -0.796 . . . . 0.0 111.991 -178.488 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.7 p -93.6 -29.72 15.33 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 120.807 0.337 . . . . 0.0 111.106 -177.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -68.69 -47.0 67.56 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.314 0.578 . . . . 0.0 110.833 -179.203 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.545 HD12 ' N ' ' A' ' 88' ' ' VAL . 1.6 pp -76.07 -25.77 55.88 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 113.034 0.753 . . . . 0.0 113.034 -172.013 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.545 ' N ' HD12 ' A' ' 87' ' ' LEU . 16.4 m -83.95 -23.71 7.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 C-N-CA 120.113 -0.635 . . . . 0.0 110.68 177.8 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 73.7 t60 -67.74 -40.16 84.17 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.233 178.028 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.457 HG23 ' O ' ' A' ' 87' ' ' LEU . 21.9 m -66.4 -26.09 36.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.502 -174.455 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.428 ' HA ' ' HB2' ' A' ' 94' ' ' ALA . 3.0 mm? -65.01 -20.08 66.32 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.221 179.227 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 22.2 t -64.91 -25.56 67.94 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.83 0.348 . . . . 0.0 110.807 -179.173 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 7.7 t -122.78 3.28 9.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.398 0.618 . . . . 0.0 110.178 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . 0.428 ' HB2' ' HA ' ' A' ' 91' ' ' LEU . . . -94.89 100.47 12.33 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.185 177.818 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 8.9 t -77.12 89.63 3.63 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.186 0.517 . . . . 0.0 109.894 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.441 HD13 ' HB1' ' B' ' 47' ' ' ALA . 16.8 tt -69.67 143.49 14.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.488 -178.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -92.93 -112.29 2.08 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.889 -0.672 . . . . 0.0 112.281 178.523 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -122.84 112.35 17.77 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.983 0.42 . . . . 0.0 110.612 -178.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.407 ' CG1' ' HB2' ' B' ' 93' ' ' SER . 11.5 m -90.54 153.09 3.25 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.957 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 43.9 t -113.42 153.4 28.67 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 178.329 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 24.4 p -78.84 -9.58 59.52 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.395 0.617 . . . . 0.0 110.28 178.229 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 43.6 t -78.12 103.34 5.08 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.431 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.918 -176.435 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 130.54 -14.14 5.59 Favored Glycine 0 N--CA 1.447 -0.597 0 C-N-CA 120.555 -0.831 . . . . 0.0 113.091 175.281 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.485 ' O ' HD12 ' A' ' 108' ' ' LEU . 16.6 t -58.43 -35.02 52.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 176.908 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -52.07 -44.52 64.36 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 114.997 -1.001 . . . . 0.0 110.402 177.497 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 11.2 m -85.64 -27.65 25.27 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.418 -0.81 . . . . 0.0 111.117 -177.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 29.7 m -64.61 -34.01 77.26 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-O 121.294 0.569 . . . . 0.0 109.938 178.137 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.558 ' O ' ' HG3' ' A' ' 112' ' ' GLN . 1.5 mt -59.88 -30.19 68.83 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.406 -0.816 . . . . 0.0 110.956 175.152 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . 0.496 ' N ' HD21 ' A' ' 109' ' ' ASN . 0.8 OUTLIER -71.61 -16.1 62.27 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.998 0.428 . . . . 0.0 110.792 179.537 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 29.5 t -94.28 -36.54 7.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.827 -179.04 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.518 HG13 ' O ' ' A' ' 108' ' ' LEU . 8.6 p -63.69 -29.54 47.54 Favored 'Isoleucine or valine' 0 C--O 1.235 0.299 0 CA-C-O 121.37 0.605 . . . . 0.0 110.317 179.559 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . 0.558 ' HG3' ' O ' ' A' ' 108' ' ' LEU . 25.2 mt-30 -67.22 -22.04 65.73 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.475 179.107 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -86.58 -20.08 28.44 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.408 -177.163 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 13.7 m -88.72 -32.69 17.82 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.001 -0.545 . . . . 0.0 112.03 -173.144 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . 0.515 HG12 ' CD2' ' B' ' 81' ' ' LEU . 11.4 p -120.79 -21.02 4.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 N-CA-C 112.15 0.426 . . . . 0.0 112.15 -173.48 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -54.92 -32.47 55.97 Favored Glycine 0 C--N 1.331 0.262 0 C-N-CA 121.432 -0.413 . . . . 0.0 113.441 -176.389 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.03 -4.26 54.57 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 111.962 0.356 . . . . 0.0 111.962 -178.314 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . 0.413 ' HB3' HD21 ' A' ' 76' ' ' LEU . 97.6 m-85 -108.5 -30.03 8.48 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.965 0.412 . . . . 0.0 110.09 178.712 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . 0.474 ' O ' ' HB3' ' B' ' 22' ' ' SER . 35.4 m -89.72 -0.84 8.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.99 174.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.426 0 C-N-CA 120.955 -0.641 . . . . 0.0 112.189 177.439 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.374 0 N-CA-C 111.815 -0.514 . . . . 0.0 111.815 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' -4' ' ' SER . . . . . . . . . . . . . 50.4 m -148.63 155.64 41.34 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 110.042 -0.355 . . . . 0.0 110.042 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' -3' ' ' GLY . . . . . . . . . . . . . . . -76.57 67.93 2.52 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 121.006 -0.616 . . . . 0.0 112.303 178.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' -2' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -58.2 105.45 0.28 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.916 0.389 . . . . 0.0 110.579 178.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' -1' ' ' SER . . . . . . . . . . . . . 12.8 m -98.5 16.93 20.28 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.315 0.578 . . . . 0.0 110.222 -178.702 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 35.2 m -98.51 172.81 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.838 -179.653 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 12.0 t -157.08 179.8 8.94 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 47.4 m -147.23 93.16 2.21 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.003 0.43 . . . . 0.0 110.361 179.247 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -167.56 129.17 1.85 Allowed Glycine 0 N--CA 1.445 -0.745 0 C-N-CA 120.989 -0.624 . . . . 0.0 111.854 179.608 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . 135.61 39.96 0.16 Allowed Glycine 0 N--CA 1.447 -0.576 0 C-N-CA 120.839 -0.696 . . . . 0.0 111.995 -179.04 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 6' ' ' TYR . . . . . 0.476 ' HA ' ' HB ' ' B' ' 10' ' ' THR . 47.0 p90 -148.98 -170.74 3.7 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.563 0.221 . . . . 0.0 110.557 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . 118.04 -152.01 17.72 Favored Glycine 0 CA--C 1.506 -0.513 0 C-N-CA 120.998 -0.62 . . . . 0.0 111.633 -179.697 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 86.5 t80 -64.45 -34.96 79.41 Favored 'General case' 0 N--CA 1.445 -0.699 0 CA-C-O 121.246 0.546 . . . . 0.0 110.131 175.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -109.82 59.12 0.37 Allowed Glycine 0 N--CA 1.446 -0.662 0 CA-C-N 115.469 -0.787 . . . . 0.0 111.499 -178.508 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 10' ' ' THR . . . . . 0.476 ' HB ' ' HA ' ' B' ' 6' ' ' TYR . 9.0 t -102.39 -21.53 14.25 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.81 0.338 . . . . 0.0 111.226 -178.519 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 46.8 m -141.0 -78.25 0.28 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.079 0.466 . . . . 0.0 110.723 -177.076 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -157.34 158.64 36.38 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.134 -177.634 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -73.6 107.48 5.89 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.242 177.703 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -129.57 -157.81 0.85 Allowed 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.522 -178.137 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 15' ' ' GLY . . . . . 0.42 ' O ' ' HA3' ' B' ' 25' ' ' GLY . . . -152.1 96.58 0.17 Allowed Glycine 0 N--CA 1.445 -0.736 0 C-N-CA 120.527 -0.844 . . . . 0.0 112.817 -177.604 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . 177.12 92.02 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.195 -0.668 . . . . 0.0 109.195 176.267 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 54.68 48.58 65.16 Favored Glycine 0 C--N 1.331 0.266 0 C-N-CA 120.555 -0.831 . . . . 0.0 111.774 -172.007 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -84.16 -61.33 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 N-CA-C 112.418 0.525 . . . . 0.0 112.418 -172.423 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -102.51 -175.21 2.76 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 110.293 -0.262 . . . . 0.0 110.293 -177.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -69.17 -46.79 66.65 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.863 0.363 . . . . 0.0 110.965 -178.037 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -136.07 30.53 2.72 Favored Glycine 0 N--CA 1.448 -0.56 0 C-N-CA 120.864 -0.684 . . . . 0.0 111.579 -178.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 22' ' ' SER . . . . . 0.474 ' HB3' ' O ' ' A' ' 119' ' ' VAL . 4.6 m -144.03 126.47 15.85 Favored 'General case' 0 N--CA 1.445 -0.679 0 CA-C-N 115.328 -0.436 . . . . 0.0 110.378 -179.343 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -146.86 116.85 7.26 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.08 -179.281 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -76.66 -26.72 55.13 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.396 -177.701 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . 0.42 ' HA3' ' O ' ' B' ' 15' ' ' GLY . . . -64.65 -27.78 72.39 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.608 -177.459 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 26' ' ' ALA . . . . . 0.471 ' HB2' ' HB2' ' B' ' 78' ' ' GLN . . . -68.86 -19.05 64.23 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.381 0.61 . . . . 0.0 109.938 177.696 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . 0.478 HG23 ' CD1' ' B' ' 81' ' ' LEU . 2.5 t -93.65 -40.72 11.99 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 115.179 -0.919 . . . . 0.0 109.986 179.628 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 65.4 m-20 -74.02 -8.0 54.51 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.523 -0.762 . . . . 0.0 111.653 -172.696 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 29' ' ' ARG . . . . . 0.404 HH11 ' HD2' ' B' ' 29' ' ' ARG . 6.5 ptp180 -98.61 4.57 48.07 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.845 0.355 . . . . 0.0 110.688 179.46 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 90.1 mt -79.46 -12.87 59.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.291 -177.202 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 14.0 p -78.14 -2.94 39.96 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.53 179.081 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 26.8 t -77.75 141.45 39.27 Favored 'General case' 0 N--CA 1.448 -0.567 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.669 177.284 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.68 -21.78 61.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.176 -179.52 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -55.97 -45.05 79.05 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.448 177.705 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 35' ' ' ALA . . . . . 0.708 ' O ' HG21 ' B' ' 39' ' ' VAL . . . -63.13 -52.49 62.35 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.811 -0.631 . . . . 0.0 109.769 175.607 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -51.76 -37.52 51.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.623 -177.188 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 39.4 m -69.35 -21.81 63.79 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.218 -0.446 . . . . 0.0 112.0 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 38' ' ' ARG . . . . . 0.446 ' HD2' ' OE1' ' B' ' 82' ' ' GLU . 91.8 mtt180 -93.04 -53.05 4.3 Favored 'General case' 0 CA--C 1.511 -0.532 0 CA-C-O 121.896 0.855 . . . . 0.0 108.719 179.722 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . 0.708 HG21 ' O ' ' B' ' 35' ' ' ALA . 16.2 t -60.34 -34.83 59.01 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-N 113.682 -1.599 . . . . 0.0 111.53 -174.683 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 84.6 p -74.37 -10.55 59.69 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-O 121.1 0.476 . . . . 0.0 110.986 179.671 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 45.7 t -95.07 -7.9 38.18 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.707 0.765 . . . . 0.0 109.257 176.626 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 11.6 m120 -100.31 -25.39 14.26 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.366 -0.834 . . . . 0.0 109.784 -176.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 43' ' ' ILE . . . . . 0.549 HG13 ' N ' ' B' ' 44' ' ' ALA . 4.6 pt -58.34 -42.44 83.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.505 -0.77 . . . . 0.0 111.383 -178.398 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . 0.549 ' N ' HG13 ' B' ' 43' ' ' ILE . . . -78.62 -16.67 57.1 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.161 0.505 . . . . 0.0 110.895 -176.857 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -83.53 -52.7 6.26 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.824 -179.611 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 53.3 mt -67.15 -32.8 59.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.602 -178.711 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . 0.441 ' HB1' HD13 ' A' ' 96' ' ' ILE . . . -61.96 -23.34 66.32 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.264 178.176 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 32.3 m -97.91 -40.64 8.4 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.435 -175.744 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -95.31 -21.6 24.37 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.538 -0.839 . . . . 0.0 113.364 -176.091 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 71.34 -78.4 0.57 Allowed Glycine 0 N--CA 1.45 -0.423 0 N-CA-C 111.513 -0.635 . . . . 0.0 111.513 -178.405 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -117.0 -19.26 9.86 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-O 121.305 0.574 . . . . 0.0 109.754 178.27 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 4.6 m -72.31 -13.98 61.63 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.623 -177.582 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -95.69 -14.98 22.98 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.707 -0.678 . . . . 0.0 111.044 -177.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 54' ' ' LEU . . . . . 0.427 HD12 HG11 ' A' ' 88' ' ' VAL . 49.8 mt -53.88 -58.71 12.14 Favored Pre-proline 0 CA--C 1.531 0.244 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.787 -176.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 55' ' ' PRO . . . . . 0.402 ' HD2' ' N ' ' B' ' 54' ' ' LEU . 28.1 Cg_endo -62.79 -23.02 74.36 Favored 'Trans proline' 0 C--N 1.351 0.7 0 C-N-CA 121.934 1.756 . . . . 0.0 112.221 -176.131 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 6.2 m -84.94 -41.57 15.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.192 0.52 . . . . 0.0 110.794 -178.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 78.6 t -78.03 -39.26 25.18 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.395 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.263 -174.382 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 58' ' ' ILE . . . . . 0.437 HG12 HD21 ' B' ' 83' ' ' LEU . 64.8 mt -56.24 -41.77 71.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.287 175.283 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 8.1 t -65.44 -38.85 91.09 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.884 -178.112 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 95.2 m-20 -63.03 -55.05 28.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.637 178.67 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . 0.436 ' O ' HG21 ' B' ' 65' ' ' VAL . 57.5 mt -65.01 -47.83 86.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.551 -0.749 . . . . 0.0 111.477 -176.417 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 62' ' ' TYR . . . . . 0.423 ' O ' HG23 ' B' ' 66' ' ' VAL . 46.0 t80 -56.48 -47.88 78.29 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.631 -0.259 . . . . 0.0 110.6 -177.173 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 32.1 t -62.56 -31.29 72.06 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.453 179.078 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -72.58 -40.89 52.75 Favored Glycine 0 N--CA 1.453 -0.197 0 C-N-CA 120.784 -0.722 . . . . 0.0 111.683 178.303 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 65' ' ' VAL . . . . . 0.499 HG11 HG11 ' B' ' 70' ' ' VAL . 96.4 t -65.97 -46.8 87.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-O 120.977 0.417 . . . . 0.0 110.984 178.89 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 66' ' ' VAL . . . . . 0.423 HG23 ' O ' ' B' ' 62' ' ' TYR . 79.7 t -65.38 -31.57 54.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 121.056 0.455 . . . . 0.0 110.794 179.788 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -74.09 -5.63 42.74 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.414 177.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 20.3 t -89.96 -10.75 43.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.339 179.6 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 88.4 36.73 7.93 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.373 179.69 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . 0.499 HG11 HG11 ' B' ' 65' ' ' VAL . 13.3 p -87.3 163.57 2.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 N-CA-C 110.201 -0.296 . . . . 0.0 110.201 178.067 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 71' ' ' SER . . . . . 0.418 ' N ' HG23 ' B' ' 70' ' ' VAL . 17.4 t -67.57 148.31 51.6 Favored 'General case' 0 CA--C 1.531 0.229 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 175.744 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 48.0 m -53.01 -55.06 26.47 Favored 'General case' 0 CA--C 1.534 0.34 0 N-CA-C 113.01 0.744 . . . . 0.0 113.01 -172.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -78.11 -26.61 48.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.929 0.395 . . . . 0.0 110.553 -174.876 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -72.31 -26.57 62.0 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.991 0.424 . . . . 0.0 110.482 -179.485 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -58.7 -42.1 87.81 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.722 179.698 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -55.25 -48.04 74.55 Favored 'General case' 0 N--CA 1.463 0.195 0 O-C-N 123.236 0.335 . . . . 0.0 110.23 -179.622 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 77' ' ' ILE . . . . . 0.707 ' O ' ' HG ' ' B' ' 81' ' ' LEU . 42.1 mm -61.65 -56.52 17.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.964 -177.451 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 78' ' ' GLN . . . . . 0.471 ' HB2' ' HB2' ' B' ' 26' ' ' ALA . 30.3 tt0 -57.39 -44.74 84.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.543 -0.298 . . . . 0.0 110.974 -179.819 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -59.78 -40.91 89.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.962 0.41 . . . . 0.0 110.888 179.628 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 80' ' ' LEU . . . . . 0.651 ' O ' HD23 ' B' ' 84' ' ' LEU . 2.4 mm? -67.15 -36.03 80.95 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.228 177.716 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . 0.707 ' HG ' ' O ' ' B' ' 77' ' ' ILE . 33.4 mt -76.18 -34.47 59.33 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 120.754 0.311 . . . . 0.0 111.619 -175.332 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 82' ' ' GLU . . . . . 0.446 ' OE1' ' HD2' ' B' ' 38' ' ' ARG . 61.2 mt-10 -67.9 -17.75 64.57 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.335 0.588 . . . . 0.0 110.314 172.5 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 83' ' ' LEU . . . . . 0.437 HD21 HG12 ' B' ' 58' ' ' ILE . 50.9 tp -84.69 -44.63 13.23 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.596 174.104 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 84' ' ' LEU . . . . . 0.651 HD23 ' O ' ' B' ' 80' ' ' LEU . 3.8 mm? -67.51 -5.07 13.45 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.566 -0.743 . . . . 0.0 112.124 -177.051 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 1.4 p -99.62 -23.39 15.07 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 120.79 0.329 . . . . 0.0 110.655 177.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -77.84 -47.88 17.77 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-O 121.184 0.516 . . . . 0.0 110.534 -178.739 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 87' ' ' LEU . . . . . 0.474 HD12 ' N ' ' B' ' 88' ' ' VAL . 1.5 pp -72.21 -20.24 61.6 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.512 -0.767 . . . . 0.0 112.914 -172.244 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 88' ' ' VAL . . . . . 0.474 ' N ' HD12 ' B' ' 87' ' ' LEU . 14.1 m -90.95 -20.81 6.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 C-N-CA 120.468 -0.493 . . . . 0.0 110.867 176.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 89' ' ' HIS . . . . . . . . . . . . . 69.7 t60 -71.51 -32.43 68.18 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.065 178.393 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 90' ' ' VAL . . . . . 0.472 HG23 ' O ' ' B' ' 87' ' ' LEU . 10.5 m -65.7 -25.55 36.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.12 -177.179 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 91' ' ' LEU . . . . . 0.458 ' HA ' ' HB2' ' B' ' 94' ' ' ALA . 3.7 mm? -64.01 -24.16 67.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.4 -0.363 . . . . 0.0 110.826 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 47.5 t -57.54 -30.03 64.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.878 178.647 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 93' ' ' SER . . . . . 0.407 ' HB2' ' CG1' ' A' ' 99' ' ' VAL . 15.2 m -123.19 15.45 9.82 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-O 121.26 0.552 . . . . 0.0 110.656 -179.831 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 94' ' ' ALA . . . . . 0.458 ' HB2' ' HA ' ' B' ' 91' ' ' LEU . . . -111.31 95.05 5.29 Favored 'General case' 0 N--CA 1.447 -0.601 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.582 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 15.3 t -76.39 87.5 3.16 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.562 178.569 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 96' ' ' ILE . . . . . 0.421 HD11 ' HB3' ' A' ' 47' ' ' ALA . 16.6 tt -66.07 140.21 19.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.889 -179.295 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 97' ' ' GLY . . . . . . . . . . . . . . . -93.74 -89.06 1.63 Allowed Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.611 -0.804 . . . . 0.0 112.9 -177.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 98' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -137.57 119.58 15.42 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.646 0.26 . . . . 0.0 110.726 -177.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 99' ' ' VAL . . . . . . . . . . . . . 5.6 m -109.97 141.36 25.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.822 179.235 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 100' ' ' SER . . . . . . . . . . . . . 43.3 t -108.2 156.7 19.04 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.917 -179.343 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 101' ' ' SER . . . . . 0.417 ' HB3' ' HB2' ' A' ' 40' ' ' SER . 24.7 m -78.0 -10.15 59.46 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.19 0.519 . . . . 0.0 110.447 178.902 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 43.1 t -82.34 102.25 8.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.328 -175.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . 132.13 -9.56 5.39 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.612 -0.804 . . . . 0.0 113.132 175.181 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 104' ' ' VAL . . . . . . . . . . . . . 21.9 t -59.78 -32.64 50.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 177.306 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -48.52 -49.23 36.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.012 -0.995 . . . . 0.0 110.282 173.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 15.4 m -72.87 -38.69 66.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.295 -0.866 . . . . 0.0 111.23 -177.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 17.3 m -63.46 -29.04 70.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.519 0.676 . . . . 0.0 110.714 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 108' ' ' LEU . . . . . 0.492 ' O ' ' HG3' ' B' ' 112' ' ' GLN . 5.5 mt -69.26 -23.24 63.82 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.329 177.841 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 109' ' ' ASN . . . . . 0.411 ' N ' HD21 ' B' ' 109' ' ' ASN . 0.9 OUTLIER -74.05 -30.6 62.49 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.759 0.314 . . . . 0.0 111.105 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 110' ' ' VAL . . . . . . . . . . . . . 8.9 p -89.22 -29.42 5.16 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.276 0 N-CA-C 111.868 0.321 . . . . 0.0 111.868 -176.196 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 12.2 p -63.48 -30.56 50.13 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.269 0 CA-C-O 121.358 0.599 . . . . 0.0 110.186 178.265 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 112' ' ' GLN . . . . . 0.492 ' HG3' ' O ' ' B' ' 108' ' ' LEU . 27.2 mt-30 -65.56 -27.31 68.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.448 -0.797 . . . . 0.0 111.054 179.504 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 113' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -80.73 -24.28 38.86 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.958 -172.397 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 7.0 m -86.79 -35.81 18.92 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.698 -0.683 . . . . 0.0 112.079 -171.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 115' ' ' VAL . . . . . . . . . . . . . 13.3 p -122.79 -18.07 4.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 N-CA-C 112.018 0.377 . . . . 0.0 112.018 -172.653 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 116' ' ' GLY . . . . . . . . . . . . . . . -61.66 -25.52 65.58 Favored Glycine 0 C--O 1.228 -0.266 0 C-N-CA 121.089 -0.576 . . . . 0.0 113.073 -175.322 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -88.15 -5.82 58.22 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.847 0.356 . . . . 0.0 111.592 -179.48 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 118' ' ' TYR . . . . . . . . . . . . . 80.8 m-85 -97.54 -30.67 12.74 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.086 0.469 . . . . 0.0 109.774 177.396 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 119' ' ' VAL . . . . . 0.453 ' O ' ' HB3' ' A' ' 22' ' ' SER . 34.0 m -89.75 -0.99 9.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.36 178.181 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.978 0 CA-C-O 118.5 -1.167 . . . . 0.0 111.863 178.823 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.699 0 N-CA-C 111.723 -0.551 . . . . 0.0 111.723 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 48.8 m 60.5 81.14 0.19 Allowed 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 121.502 0.668 . . . . 0.0 111.316 -178.412 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . -150.6 42.54 0.75 Allowed Glycine 0 N--CA 1.443 -0.839 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 177.733 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' -2' ' ' ASN . . . . . . . . . . . . . 63.2 t30 -79.97 98.02 7.0 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.149 0.5 . . . . 0.0 110.542 -176.769 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 74.1 m -149.53 127.1 11.6 Favored 'General case' 0 C--N 1.317 -0.812 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 174.674 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 20.9 m -76.34 124.76 35.18 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-O 121.51 0.671 . . . . 0.0 112.562 -170.009 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 5.1 t -139.67 104.91 5.02 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.246 -0.888 . . . . 0.0 109.288 170.256 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.9 m -89.16 18.82 4.69 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.161 -177.499 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -70.87 129.86 19.15 Favored Glycine 0 N--CA 1.447 -0.597 0 C-N-CA 120.853 -0.689 . . . . 0.0 111.916 178.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 89.54 -87.75 1.46 Allowed Glycine 0 N--CA 1.448 -0.528 0 C-N-CA 120.996 -0.621 . . . . 0.0 112.586 179.09 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 50.8 p90 -66.62 -21.34 66.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.737 0.304 . . . . 0.0 111.286 -175.675 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -84.15 -1.94 89.46 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.414 -178.422 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 71.0 m-85 -116.67 -63.63 1.42 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.824 0.345 . . . . 0.0 110.321 177.497 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -151.61 99.6 0.19 Allowed Glycine 0 N--CA 1.442 -0.903 0 C-N-CA 120.659 -0.781 . . . . 0.0 112.16 -178.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 43.2 p -71.36 -45.23 63.39 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.23 0.538 . . . . 0.0 110.329 177.556 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 53.8 m -151.52 -173.47 4.52 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.604 179.472 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -77.58 56.14 1.4 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.061 0.457 . . . . 0.0 111.59 -178.602 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -122.21 2.98 9.82 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.671 0.748 . . . . 0.0 109.717 176.29 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.426 ' O ' ' HB3' ' A' ' 24' ' ' ALA . . . -153.97 169.2 24.04 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 114.757 -1.111 . . . . 0.0 108.742 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.499 ' HA3' ' H ' ' A' ' 25' ' ' GLY . . . 163.74 61.99 0.02 OUTLIER Glycine 0 N--CA 1.444 -0.824 0 C-N-CA 119.348 -1.406 . . . . 0.0 113.235 -179.753 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -132.64 95.78 3.68 Favored 'General case' 0 C--N 1.307 -1.248 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 177.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 61.28 32.65 81.52 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.004 -171.305 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 4.2 m -73.99 -34.53 39.42 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.253 0 CA-C-O 121.034 0.445 . . . . 0.0 111.127 -178.781 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -142.32 152.18 42.69 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.281 179.379 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -77.36 64.87 2.81 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.815 0.34 . . . . 0.0 110.417 179.051 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.442 ' CA ' ' HA3' ' B' ' 21' ' ' GLY . . . 148.32 -22.16 1.38 Allowed Glycine 0 N--CA 1.449 -0.486 0 C-N-CA 121.054 -0.593 . . . . 0.0 112.592 -178.128 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 17.0 m -124.5 129.69 51.09 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.63 0.252 . . . . 0.0 111.538 -178.582 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.6 ' CE1' ' HA ' ' A' ' 74' ' ' GLU . 0.0 OUTLIER -156.26 121.41 4.73 Favored 'General case' 0 CA--C 1.52 -0.177 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 179.914 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.426 ' HB3' ' O ' ' A' ' 14' ' ' ALA . . . -83.85 -21.13 32.13 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-O 120.934 0.397 . . . . 0.0 111.633 179.702 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.499 ' H ' ' HA3' ' A' ' 15' ' ' GLY . . . -66.85 -29.08 74.14 Favored Glycine 0 CA--C 1.51 -0.247 0 C-N-CA 121.349 -0.453 . . . . 0.0 112.072 -176.773 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.462 ' HB2' ' HB2' ' A' ' 78' ' ' GLN . . . -68.81 -15.28 63.46 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.109 0.48 . . . . 0.0 110.031 178.219 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.437 ' CG1' ' HA ' ' B' ' 112' ' ' GLN . 3.5 t -95.15 -44.82 13.3 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.318 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.872 -176.678 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 37.4 m-80 -64.83 -25.62 67.98 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-O 120.855 0.359 . . . . 0.0 111.542 -176.223 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 2.0 ptm180 -81.54 3.59 24.42 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.554 -175.177 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.456 HD12 ' HB3' ' A' ' 81' ' ' LEU . 82.9 mt -80.94 -17.74 49.46 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.235 -178.168 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 13.4 p -79.46 5.01 13.88 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.038 0.447 . . . . 0.0 111.068 -177.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 33.7 t -96.26 158.28 15.51 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.057 177.379 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -58.77 -21.15 55.11 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 121.084 0.468 . . . . 0.0 111.376 -179.499 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -48.83 -58.46 4.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 114.996 -1.002 . . . . 0.0 110.992 178.177 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.603 ' O ' HG23 ' A' ' 39' ' ' VAL . . . -68.63 -50.62 49.98 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.384 -0.825 . . . . 0.0 110.724 179.8 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -47.35 -39.94 16.19 Favored 'General case' 0 N--CA 1.465 0.288 0 O-C-N 123.399 0.437 . . . . 0.0 111.96 -176.301 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 60.7 m -71.91 -26.65 62.4 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.981 -178.435 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 20.3 mtm180 -92.03 -40.77 10.9 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.675 0.75 . . . . 0.0 109.463 -177.17 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.603 HG23 ' O ' ' A' ' 35' ' ' ALA . 40.4 t -64.05 -46.25 94.32 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.926 0 CA-C-N 114.425 -1.262 . . . . 0.0 110.491 179.11 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 33.1 t -75.63 -9.89 58.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.301 -178.761 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 32.5 t -82.85 -7.74 59.63 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 177.667 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 47.9 m-80 -124.85 0.13 8.0 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.717 -178.174 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.404 HG13 ' N ' ' A' ' 44' ' ' ALA . 2.3 pt -63.07 -38.38 81.89 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 CA-C-O 120.924 0.393 . . . . 0.0 110.706 177.909 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.404 ' N ' HG13 ' A' ' 43' ' ' ILE . . . -78.3 -7.97 57.85 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.031 -179.737 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -90.23 -55.76 3.48 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.644 -178.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 45.8 mt -64.03 -33.6 63.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.604 -178.641 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.7 -23.68 67.47 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.645 -178.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 22.8 t -98.41 -24.27 15.25 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.936 -0.574 . . . . 0.0 111.063 -177.417 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -103.28 -28.2 6.2 Favored Glycine 0 N--CA 1.453 -0.192 0 C-N-CA 120.475 -0.869 . . . . 0.0 113.227 -175.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 75.14 -76.5 1.24 Allowed Glycine 0 N--CA 1.448 -0.566 0 N-CA-C 110.905 -0.878 . . . . 0.0 110.905 -177.649 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -121.79 -22.2 5.86 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-O 121.134 0.492 . . . . 0.0 110.385 178.226 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 4.4 m -70.87 -12.72 61.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.674 -177.405 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -96.0 -13.35 23.85 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.035 -178.645 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.415 ' N ' ' HD2' ' A' ' 55' ' ' PRO . 47.1 mt -55.01 -57.85 17.56 Favored Pre-proline 0 CA--C 1.535 0.387 0 N-CA-C 111.964 0.357 . . . . 0.0 111.964 -177.245 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.415 ' HD2' ' N ' ' A' ' 54' ' ' LEU . 20.2 Cg_endo -62.23 -23.6 75.49 Favored 'Trans proline' 0 C--N 1.353 0.786 0 C-N-CA 122.141 1.894 . . . . 0.0 112.307 -177.592 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 10.0 m -84.02 -43.93 14.65 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.791 -179.409 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 64.5 t -76.54 -39.45 32.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.379 -173.716 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.424 HG12 ' HG ' ' A' ' 83' ' ' LEU . 62.6 mt -62.21 -39.67 84.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.248 176.18 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 21.1 t -68.05 -31.28 70.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.043 0.449 . . . . 0.0 110.193 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 90.0 m-20 -66.8 -55.65 13.96 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.797 176.335 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.45 ' O ' HG23 ' A' ' 65' ' ' VAL . 59.9 mt -68.55 -46.57 79.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.814 -175.15 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.534 ' O ' HG23 ' A' ' 66' ' ' VAL . 51.6 t80 -55.49 -54.5 43.14 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.804 0.335 . . . . 0.0 110.564 -177.027 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 16.5 m -61.23 -32.52 72.3 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.844 -179.585 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -69.41 -36.57 78.06 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.813 -0.708 . . . . 0.0 111.924 179.337 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.45 HG23 ' O ' ' A' ' 61' ' ' ILE . 93.9 t -73.99 -42.24 52.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-O 120.66 0.267 . . . . 0.0 110.522 177.752 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.534 HG23 ' O ' ' A' ' 62' ' ' TYR . 87.1 t -60.16 -35.95 64.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.954 0.406 . . . . 0.0 110.969 179.774 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -72.11 -2.28 17.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.902 179.237 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 28.0 t -91.83 -1.46 57.33 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.697 0.284 . . . . 0.0 110.843 179.568 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 83.12 29.97 32.52 Favored Glycine 0 C--N 1.33 0.23 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.111 179.509 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.447 HG13 HG13 ' A' ' 65' ' ' VAL . 10.7 p -84.88 162.27 2.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 N-CA-C 110.08 -0.341 . . . . 0.0 110.08 -179.161 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 19.7 m -68.49 146.75 52.86 Favored 'General case' 0 N--CA 1.447 -0.577 0 N-CA-C 110.129 -0.323 . . . . 0.0 110.129 175.613 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 21.7 p -49.69 -67.36 0.27 Allowed 'General case' 0 CA--C 1.534 0.327 0 N-CA-C 113.337 0.866 . . . . 0.0 113.337 -173.038 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.45 ' HB3' ' HH ' ' A' ' 23' ' ' TYR . 4.3 t30 -73.73 -16.41 61.18 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.21 0.528 . . . . 0.0 110.747 -175.786 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.6 ' HA ' ' CE1' ' A' ' 23' ' ' TYR . 36.5 tt0 -73.41 -31.86 64.09 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 177.674 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.56 -36.33 80.32 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 115.203 -0.908 . . . . 0.0 110.768 176.388 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.44 HD23 ' HB3' ' A' ' 118' ' ' TYR . 2.7 tm? -56.2 -54.09 49.35 Favored 'General case' 0 CA--C 1.517 -0.317 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 177.789 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.74 ' O ' ' HG ' ' A' ' 81' ' ' LEU . 35.2 mm -59.86 -55.08 26.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.953 -177.866 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . 0.462 ' HB2' ' HB2' ' A' ' 26' ' ' ALA . 26.7 tt0 -57.08 -46.64 82.36 Favored 'General case' 0 C--O 1.233 0.217 0 C-N-CA 121.226 -0.19 . . . . 0.0 111.441 -179.271 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.96 -41.29 96.06 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.798 0.332 . . . . 0.0 110.615 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.581 ' O ' HD23 ' A' ' 84' ' ' LEU . 2.6 mm? -64.02 -41.67 97.36 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.024 177.528 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.74 ' HG ' ' O ' ' A' ' 77' ' ' ILE . 47.6 mt -61.93 -47.09 86.44 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.819 0.343 . . . . 0.0 110.863 -179.546 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 53.1 mt-10 -65.12 -36.72 85.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.734 178.133 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.424 ' HG ' HG12 ' A' ' 58' ' ' ILE . 3.5 tm? -61.7 -44.51 96.79 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.007 176.14 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.581 HD23 ' O ' ' A' ' 80' ' ' LEU . 3.8 mm? -68.18 -7.15 27.61 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.644 -0.707 . . . . 0.0 112.147 -177.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 35.6 m -97.78 -31.34 12.29 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.02 0.438 . . . . 0.0 111.108 -177.23 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -71.21 -46.48 61.12 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.278 0.561 . . . . 0.0 110.988 -176.643 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.426 HD13 ' N ' ' A' ' 88' ' ' VAL . 0.9 OUTLIER -77.42 -16.08 59.0 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 113.115 0.783 . . . . 0.0 113.115 -171.796 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.426 ' N ' HD13 ' A' ' 87' ' ' LEU . 16.9 m -93.58 -22.31 5.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 C-N-CA 120.314 -0.554 . . . . 0.0 110.843 176.887 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . 0.41 ' CD2' HG22 ' B' ' 104' ' ' VAL . 79.8 t60 -70.84 -34.47 71.7 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-O 120.872 0.367 . . . . 0.0 110.086 177.691 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 25.9 m -64.15 -27.87 43.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.214 -175.638 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.477 ' HA ' ' HB1' ' A' ' 94' ' ' ALA . 4.0 mm? -63.64 -24.83 67.95 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.352 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 26.1 t -59.71 -31.76 69.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.024 0.44 . . . . 0.0 110.56 179.148 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 75.5 m -112.36 -10.4 13.78 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.644 0.735 . . . . 0.0 110.564 -177.595 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . 0.477 ' HB1' ' HA ' ' A' ' 91' ' ' LEU . . . -89.47 90.03 8.11 Favored 'General case' 0 C--N 1.313 -0.992 0 CA-C-N 115.147 -0.933 . . . . 0.0 110.627 -179.8 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 12.9 m -65.83 93.92 0.2 Allowed 'General case' 0 N--CA 1.428 -1.543 0 CA-C-N 115.419 -0.81 . . . . 0.0 110.248 176.258 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.428 HD11 ' CG1' ' A' ' 99' ' ' VAL . 20.6 tt -76.09 148.29 7.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.702 -175.859 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -91.56 -108.21 1.56 Allowed Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.98 -0.629 . . . . 0.0 112.032 178.112 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 10.8 t30 -130.84 111.88 12.51 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.107 0.479 . . . . 0.0 110.259 179.343 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.428 ' CG1' HD11 ' A' ' 96' ' ' ILE . 5.7 m -86.35 138.29 19.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 115.604 -0.725 . . . . 0.0 111.157 -178.433 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 18.4 m -91.61 154.21 19.2 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.224 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 5.9 m -86.46 3.94 41.79 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.279 0.561 . . . . 0.0 110.65 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 40.4 t -106.16 112.29 38.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.645 -175.552 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 129.92 -14.17 5.74 Favored Glycine 0 N--CA 1.449 -0.45 0 CA-C-N 115.855 -0.611 . . . . 0.0 112.495 177.145 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.409 ' O ' HD13 ' A' ' 108' ' ' LEU . 19.2 t -59.27 -33.41 50.79 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.271 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 176.719 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -51.69 -43.37 62.74 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 114.968 -1.015 . . . . 0.0 110.577 175.414 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 20.0 m -80.82 -35.74 32.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.56 -177.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 24.1 m -61.88 -32.43 72.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.399 0.619 . . . . 0.0 110.517 179.571 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.523 ' O ' HG12 ' A' ' 111' ' ' VAL . 3.3 mt -64.31 -26.29 68.42 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.683 -0.689 . . . . 0.0 111.777 176.362 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . 0.468 ' N ' HD21 ' A' ' 109' ' ' ASN . 0.9 OUTLIER -73.43 -32.17 64.25 Favored 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 121.006 -0.278 . . . . 0.0 111.046 -177.322 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 8.7 p -87.28 -28.69 5.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 N-CA-C 111.781 0.289 . . . . 0.0 111.781 -175.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.523 HG12 ' O ' ' A' ' 108' ' ' LEU . 7.9 p -63.14 -30.02 48.66 Favored 'Isoleucine or valine' 0 C--O 1.234 0.247 0 CA-C-O 121.532 0.682 . . . . 0.0 109.992 177.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . 0.518 ' HG3' ' O ' ' A' ' 108' ' ' LEU . 26.5 mt-30 -64.38 -32.43 74.04 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.125 -0.943 . . . . 0.0 111.48 -178.223 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -70.95 -34.42 71.44 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.969 -177.109 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 6.0 m -78.55 -34.93 46.7 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.541 -0.754 . . . . 0.0 112.239 -171.521 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . 0.454 HG13 HD23 ' B' ' 81' ' ' LEU . 7.6 p -113.19 -25.15 3.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 N-CA-C 111.844 0.312 . . . . 0.0 111.844 -173.836 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -59.21 -26.07 60.92 Favored Glycine 0 C--N 1.33 0.221 0 C-N-CA 121.21 -0.519 . . . . 0.0 112.776 -176.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.75 2.22 34.94 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 111.699 0.259 . . . . 0.0 111.699 -178.295 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . 0.44 ' HB3' HD23 ' A' ' 76' ' ' LEU . 74.7 m-85 -114.81 -34.51 5.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.735 0.302 . . . . 0.0 110.655 177.498 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 33.8 m -83.2 0.11 4.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.429 178.565 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.517 0 C-N-CA 120.961 -0.638 . . . . 0.0 111.734 177.513 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.362 0 N-CA-C 112.123 -0.391 . . . . 0.0 112.123 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' -4' ' ' SER . . . . . . . . . . . . . 24.5 t -110.33 102.41 11.07 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 177.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' -3' ' ' GLY . . . . . . . . . . . . . . . 123.29 76.7 0.35 Allowed Glycine 0 N--CA 1.444 -0.812 0 C-N-CA 120.896 -0.668 . . . . 0.0 111.856 -178.143 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' -2' ' ' ASN . . . . . . . . . . . . . 14.3 t30 -57.57 106.49 0.35 Allowed 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 177.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' -1' ' ' SER . . . . . . . . . . . . . 14.2 m -83.81 96.1 8.66 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.522 -0.763 . . . . 0.0 111.978 -168.255 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 48.0 t -89.36 109.1 19.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.621 174.746 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 10.2 t -157.54 146.59 19.76 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 110.143 -0.318 . . . . 0.0 110.143 178.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 23.2 t -78.45 89.86 4.44 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.032 0.444 . . . . 0.0 110.457 -178.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -97.3 71.32 0.72 Allowed Glycine 0 N--CA 1.447 -0.598 0 C-N-CA 120.816 -0.707 . . . . 0.0 111.797 177.467 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . 82.2 -54.73 4.9 Favored Glycine 0 CA--C 1.52 0.364 0 C-N-CA 120.932 -0.652 . . . . 0.0 112.972 178.195 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 6' ' ' TYR . . . . . . . . . . . . . 46.7 p90 -60.24 -21.05 61.38 Favored 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 122.699 0.399 . . . . 0.0 111.739 -177.484 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -77.83 -13.7 83.15 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.413 -179.395 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 81.6 m-85 -111.49 -61.1 1.75 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.121 0.486 . . . . 0.0 110.17 179.289 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -143.53 106.59 0.43 Allowed Glycine 0 N--CA 1.444 -0.805 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.352 -178.242 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 22.8 p -76.38 -41.95 46.18 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.013 0.435 . . . . 0.0 110.954 -179.042 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 51.1 m -156.43 -179.59 8.31 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.906 178.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -72.36 3.07 5.11 Favored 'General case' 0 N--CA 1.465 0.291 0 N-CA-C 112.076 0.398 . . . . 0.0 112.076 -176.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -87.11 0.84 54.63 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.895 0.378 . . . . 0.0 110.918 179.663 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -127.93 153.0 47.18 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.091 179.541 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 15' ' ' GLY . . . . . 0.572 ' O ' ' HA3' ' B' ' 25' ' ' GLY . . . 173.57 103.8 0.17 Allowed Glycine 0 N--CA 1.445 -0.762 0 C-N-CA 120.202 -0.999 . . . . 0.0 113.263 -178.403 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -172.65 98.48 0.14 Allowed 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 173.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 59.71 28.68 65.86 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.689 -0.767 . . . . 0.0 111.893 -172.2 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 2.4 m -75.14 -51.82 20.42 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.181 0 N-CA-C 112.131 0.419 . . . . 0.0 112.131 -174.54 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -134.11 136.01 43.6 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 -178.795 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.53 -18.42 7.34 Favored 'General case' 0 N--CA 1.468 0.433 0 N-CA-C 113.223 0.823 . . . . 0.0 113.223 -172.519 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . 0.442 ' HA3' ' CA ' ' A' ' 21' ' ' GLY . . . -131.02 19.91 4.85 Favored Glycine 0 N--CA 1.446 -0.636 0 C-N-CA 120.381 -0.914 . . . . 0.0 112.495 179.083 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 3.5 m -160.07 122.62 3.37 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.997 0.427 . . . . 0.0 111.831 -177.203 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -148.14 121.53 9.05 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 175.739 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -76.94 -31.25 56.49 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 121.16 0.505 . . . . 0.0 111.235 -178.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . 0.572 ' HA3' ' O ' ' B' ' 15' ' ' GLY . . . -66.23 -23.45 71.55 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.984 -0.627 . . . . 0.0 112.956 -177.523 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 26' ' ' ALA . . . . . 0.447 ' HB2' ' HB2' ' B' ' 78' ' ' GLN . . . -72.26 -12.56 61.21 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.448 0.642 . . . . 0.0 109.649 176.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . 0.444 HG22 ' CD1' ' B' ' 81' ' ' LEU . 3.5 t -98.55 -44.47 12.13 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.559 0 CA-C-N 114.894 -1.048 . . . . 0.0 110.084 178.322 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 64.0 m-80 -62.85 -27.27 69.22 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 120.775 0.321 . . . . 0.0 111.601 -177.485 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 6.3 ptp180 -78.72 0.68 25.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.361 -177.687 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . 0.41 ' HG ' ' O ' ' B' ' 27' ' ' VAL . 76.1 mt -79.76 -18.39 51.18 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.968 0.413 . . . . 0.0 110.936 -179.263 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 49.0 m -75.65 -2.09 27.76 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.614 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 72.8 m -87.06 149.51 24.67 Favored 'General case' 0 N--CA 1.44 -0.962 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.344 178.244 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.84 -16.03 60.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.954 0.407 . . . . 0.0 111.547 -177.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -57.66 -48.91 78.18 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.399 177.719 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 35' ' ' ALA . . . . . 0.633 ' O ' HG22 ' B' ' 39' ' ' VAL . . . -59.31 -53.08 62.34 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.667 -0.697 . . . . 0.0 109.972 177.085 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -51.11 -35.29 34.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.837 -177.646 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 42.2 t -70.49 -21.93 62.71 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.411 -177.735 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 38' ' ' ARG . . . . . 0.428 ' HD2' ' OE1' ' B' ' 82' ' ' GLU . 56.4 mtt180 -99.2 -47.64 5.12 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.947 0.88 . . . . 0.0 109.17 -178.724 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . 0.633 HG22 ' O ' ' B' ' 35' ' ' ALA . 34.3 t -59.85 -43.1 91.23 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-N 114.062 -1.426 . . . . 0.0 111.047 -178.268 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 35.9 t -78.05 -6.33 54.26 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.854 0.359 . . . . 0.0 111.411 -178.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 47.9 t -84.39 -13.78 51.27 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.505 0.669 . . . . 0.0 109.47 177.096 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 45.3 m-80 -121.65 1.58 10.03 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.625 -175.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 2.0 pt -61.92 -37.83 79.17 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.18 0 CA-C-O 120.957 0.408 . . . . 0.0 110.478 177.264 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -76.62 -15.89 59.71 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.033 -179.022 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -82.97 -53.28 5.95 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.999 -176.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 46' ' ' ILE . . . . . 0.405 HG22 ' HB3' ' B' ' 87' ' ' LEU . 48.8 mt -64.31 -32.33 57.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.121 -179.28 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . 0.406 ' HB3' HD12 ' A' ' 96' ' ' ILE . . . -63.56 -23.79 67.54 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.078 177.268 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 24.9 t -92.77 -50.53 5.53 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.134 -177.697 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -88.18 -18.23 56.04 Favored Glycine 0 CA--C 1.52 0.398 0 C-N-CA 120.773 -0.727 . . . . 0.0 113.626 -174.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 73.25 -80.24 0.74 Allowed Glycine 0 N--CA 1.451 -0.348 0 N-CA-C 111.775 -0.53 . . . . 0.0 111.775 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -116.92 -24.62 7.55 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-O 121.055 0.455 . . . . 0.0 110.195 179.565 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 5.3 t -74.6 -9.56 58.69 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.013 -0.54 . . . . 0.0 109.982 -177.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -91.36 -14.27 31.01 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.628 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 54' ' ' LEU . . . . . 0.415 ' N ' ' HD2' ' B' ' 55' ' ' PRO . 49.2 mt -55.59 -57.79 19.13 Favored Pre-proline 0 CA--C 1.534 0.353 0 CA-C-N 116.632 -0.258 . . . . 0.0 111.53 -179.291 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 55' ' ' PRO . . . . . 0.415 ' HD2' ' N ' ' B' ' 54' ' ' LEU . 16.8 Cg_endo -60.44 -28.25 86.38 Favored 'Trans proline' 0 C--N 1.35 0.62 0 C-N-CA 122.18 1.92 . . . . 0.0 112.288 179.758 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 8.0 m -76.4 -42.09 45.58 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.054 0.454 . . . . 0.0 110.485 179.096 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 53.5 t -85.68 -42.69 16.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.694 -171.2 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 58' ' ' ILE . . . . . 0.52 HG12 ' HG ' ' B' ' 83' ' ' LEU . 50.6 mt -55.85 -44.03 76.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 121.083 0.468 . . . . 0.0 110.308 178.538 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 75.1 m -69.59 -28.72 66.2 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.886 -178.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -67.57 -51.38 51.26 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-O 121.241 0.543 . . . . 0.0 110.699 176.503 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 54.8 mt -70.13 -42.29 79.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.918 -177.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 62' ' ' TYR . . . . . 0.447 ' O ' HG21 ' B' ' 66' ' ' VAL . 62.3 t80 -55.65 -52.23 64.52 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.604 -178.595 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 22.3 m -61.52 -33.03 73.12 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.773 179.678 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -70.24 -38.56 71.87 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.789 -0.719 . . . . 0.0 111.781 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 65' ' ' VAL . . . . . 0.465 HG12 HG12 ' B' ' 70' ' ' VAL . 92.9 t -71.96 -48.01 52.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-O 120.802 0.334 . . . . 0.0 111.181 178.45 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 66' ' ' VAL . . . . . 0.447 HG21 ' O ' ' B' ' 62' ' ' TYR . 96.2 t -58.76 -33.91 50.51 Favored 'Isoleucine or valine' 0 C--O 1.235 0.309 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.177 -178.188 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.94 -12.79 53.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.449 . . . . 0.0 112.031 179.51 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 34.7 t -80.02 -12.24 59.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.038 0.447 . . . . 0.0 110.769 179.302 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 101.72 2.98 52.8 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.51 -0.852 . . . . 0.0 112.27 178.478 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . 0.465 HG12 HG12 ' B' ' 65' ' ' VAL . 10.3 p -66.69 156.79 6.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 N-CA-C 110.376 -0.231 . . . . 0.0 110.376 179.11 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 10.4 t -71.77 155.16 40.76 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 110.209 -0.293 . . . . 0.0 110.209 179.129 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 3.0 p -56.14 -58.76 6.57 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 113.261 0.837 . . . . 0.0 113.261 -172.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -73.14 -25.92 61.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 122.229 -0.294 . . . . 0.0 110.652 -174.148 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -71.52 -35.66 70.79 Favored 'General case' 0 C--N 1.332 -0.161 0 N-CA-C 109.546 -0.538 . . . . 0.0 109.546 174.254 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -62.7 -38.57 90.94 Favored 'General case' 0 C--O 1.223 -0.296 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.574 176.303 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 76' ' ' LEU . . . . . 0.445 ' O ' HD22 ' B' ' 80' ' ' LEU . 2.8 tm? -52.65 -52.03 57.46 Favored 'General case' 0 CA--C 1.518 -0.261 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 177.15 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 77' ' ' ILE . . . . . 0.629 ' O ' ' HG ' ' B' ' 81' ' ' LEU . 42.1 mm -62.1 -54.97 27.36 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.906 -178.125 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 78' ' ' GLN . . . . . 0.447 ' HB2' ' HB2' ' B' ' 26' ' ' ALA . 24.1 tt0 -57.5 -47.84 80.84 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.323 -179.059 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.3 -40.64 97.92 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.818 -178.755 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 80' ' ' LEU . . . . . 0.657 ' O ' ' HG ' ' B' ' 84' ' ' LEU . 2.8 mm? -62.06 -43.41 98.9 Favored 'General case' 0 C--O 1.221 -0.414 0 CA-C-N 116.594 -0.275 . . . . 0.0 110.473 176.491 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . 0.629 ' HG ' ' O ' ' B' ' 77' ' ' ILE . 15.7 mt -68.87 -40.6 79.18 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.597 0.237 . . . . 0.0 111.369 -177.486 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 82' ' ' GLU . . . . . 0.428 ' OE1' ' HD2' ' B' ' 38' ' ' ARG . 50.2 mt-10 -60.85 -37.4 81.97 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.243 0.544 . . . . 0.0 110.019 172.32 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 83' ' ' LEU . . . . . 0.52 ' HG ' HG12 ' B' ' 58' ' ' ILE . 3.4 tm? -63.21 -44.17 96.09 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.421 176.172 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 84' ' ' LEU . . . . . 0.657 ' HG ' ' O ' ' B' ' 80' ' ' LEU . 13.0 mt -64.38 -16.76 62.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.004 -177.106 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 28.1 m -89.87 -28.16 19.43 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 121.035 0.445 . . . . 0.0 110.82 -174.54 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 86' ' ' ALA . . . . . 0.437 ' O ' HG12 ' B' ' 90' ' ' VAL . . . -71.0 -42.74 69.22 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.23 0.538 . . . . 0.0 110.76 -178.102 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 87' ' ' LEU . . . . . 0.489 HD11 ' N ' ' B' ' 88' ' ' VAL . 1.6 pp -82.18 -22.74 35.87 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.604 -0.725 . . . . 0.0 112.829 -171.749 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 88' ' ' VAL . . . . . 0.489 ' N ' HD11 ' B' ' 87' ' ' LEU . 17.2 m -86.37 -21.88 7.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 C-N-CA 119.97 -0.692 . . . . 0.0 110.571 177.118 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 89' ' ' HIS . . . . . . . . . . . . . 72.3 t60 -71.41 -37.42 71.52 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.196 178.294 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 90' ' ' VAL . . . . . 0.473 HG23 ' O ' ' B' ' 87' ' ' LEU . 23.7 m -64.4 -27.24 42.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.464 -175.366 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 91' ' ' LEU . . . . . 0.417 ' HA ' ' HB1' ' B' ' 94' ' ' ALA . 3.3 mm? -64.41 -26.18 68.34 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.316 -179.618 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 36.9 t -62.32 -27.62 69.16 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.605 -179.311 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 19.7 m -117.5 12.61 14.2 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-O 121.241 0.543 . . . . 0.0 110.505 178.632 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 94' ' ' ALA . . . . . 0.417 ' HB1' ' HA ' ' B' ' 91' ' ' LEU . . . -108.76 98.36 7.87 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.427 179.028 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 5.1 t -76.81 87.39 3.41 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 96' ' ' ILE . . . . . 0.422 HD11 ' CG1' ' B' ' 99' ' ' VAL . 17.0 tt -62.59 148.38 10.86 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.314 0 CA-C-N 115.52 -0.763 . . . . 0.0 111.667 -178.421 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 97' ' ' GLY . . . . . . . . . . . . . . . -93.88 -85.98 1.62 Allowed Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.867 -0.682 . . . . 0.0 111.731 178.341 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 98' ' ' ASN . . . . . . . . . . . . . 11.2 t30 -150.88 123.54 8.54 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.874 0.369 . . . . 0.0 110.767 177.011 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 99' ' ' VAL . . . . . 0.422 ' CG1' HD11 ' B' ' 96' ' ' ILE . 4.8 m -98.36 152.95 4.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.901 179.807 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 100' ' ' SER . . . . . . . . . . . . . 49.5 m -119.19 163.07 17.62 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.453 178.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 6.9 p -79.91 -11.1 59.83 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.363 0.601 . . . . 0.0 111.448 -178.445 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 48.9 t -83.83 107.1 14.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.397 -174.191 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . 122.67 -10.08 9.13 Favored Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.716 -0.754 . . . . 0.0 113.296 173.523 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 104' ' ' VAL . . . . . 0.5 ' O ' HD13 ' B' ' 108' ' ' LEU . 26.6 t -58.31 -36.62 58.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 175.871 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -55.41 -43.92 75.71 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.14 -0.936 . . . . 0.0 110.379 177.136 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 14.6 m -69.65 -37.22 76.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.443 -0.799 . . . . 0.0 111.083 -178.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 48.8 m -62.84 -35.03 78.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.074 0.464 . . . . 0.0 110.636 179.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 108' ' ' LEU . . . . . 0.509 ' O ' HG11 ' B' ' 111' ' ' VAL . 1.1 mt -61.55 -24.76 66.86 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.826 -0.624 . . . . 0.0 111.599 178.177 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 109' ' ' ASN . . . . . 0.444 HD21 ' N ' ' B' ' 109' ' ' ASN . 0.9 OUTLIER -66.78 -28.18 68.19 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.104 0.478 . . . . 0.0 110.461 178.661 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 110' ' ' VAL . . . . . . . . . . . . . 20.7 t -87.81 -35.21 7.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.246 -175.719 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 111' ' ' VAL . . . . . 0.509 HG11 ' O ' ' B' ' 108' ' ' LEU . 7.9 p -63.34 -29.75 48.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 121.26 0.552 . . . . 0.0 110.179 -179.109 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 112' ' ' GLN . . . . . 0.466 ' HG3' ' O ' ' B' ' 108' ' ' LEU . 25.3 mt-30 -70.45 -23.41 62.7 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 121.344 0.592 . . . . 0.0 111.001 -179.181 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 113' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -84.17 -34.12 24.07 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.45 -0.795 . . . . 0.0 110.724 -173.542 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 4.8 p -83.96 -42.45 16.25 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.416 -0.811 . . . . 0.0 112.443 -172.045 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 115' ' ' VAL . . . . . 0.494 HG11 ' O ' ' B' ' 111' ' ' VAL . 12.2 p -105.38 -20.16 6.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 121.005 0.431 . . . . 0.0 110.963 -175.403 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 116' ' ' GLY . . . . . . . . . . . . . . . -62.24 -23.61 64.45 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 121.083 -0.58 . . . . 0.0 112.598 -179.416 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -88.09 5.9 38.9 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.555 0.217 . . . . 0.0 111.467 -179.291 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 118' ' ' TYR . . . . . . . . . . . . . 73.2 m-85 -116.9 -32.61 5.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.846 0.355 . . . . 0.0 110.843 177.308 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 119' ' ' VAL . . . . . . . . . . . . . 27.4 m -80.2 -1.86 5.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.994 0.426 . . . . 0.0 111.18 178.679 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.184 0 CA-C-O 118.184 -1.342 . . . . 0.0 110.976 177.163 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.65 0 N-CA-C 111.759 -0.536 . . . . 0.0 111.759 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 28.6 t -138.05 -58.87 0.65 Allowed 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.789 0.328 . . . . 0.0 110.431 -179.766 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . -166.05 118.82 0.82 Allowed Glycine 0 N--CA 1.447 -0.598 0 C-N-CA 120.824 -0.703 . . . . 0.0 111.867 179.677 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' -2' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -161.11 116.89 2.17 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 179.218 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 16.1 p -107.21 74.18 0.96 Allowed 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.297 0.57 . . . . 0.0 111.651 -176.159 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 60.4 t -121.11 121.37 64.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 174.24 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 23.5 p -110.84 -179.11 3.65 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.882 -174.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.4 t 76.38 161.63 0.23 Allowed 'General case' 0 N--CA 1.466 0.329 0 O-C-N 124.136 0.897 . . . . 0.0 111.459 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 148.15 -174.58 27.8 Favored Glycine 0 N--CA 1.445 -0.716 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.678 -177.633 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 170.11 -111.48 0.42 Allowed Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.993 -0.622 . . . . 0.0 111.642 179.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 45.0 p90 -60.4 141.4 56.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.917 0.389 . . . . 0.0 109.984 176.575 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.431 ' H ' ' HB ' ' A' ' 10' ' ' THR . . . 158.04 -88.0 0.12 Allowed Glycine 0 N--CA 1.447 -0.584 0 N-CA-C 110.401 -1.08 . . . . 0.0 110.401 -178.747 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.412 ' HB2' ' O ' ' A' ' 18' ' ' VAL . 74.5 m-85 -83.63 -37.2 23.15 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 108.488 -0.93 . . . . 0.0 108.488 169.424 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.401 ' N ' ' HB ' ' A' ' 18' ' ' VAL . . . -103.97 78.06 0.29 Allowed Glycine 0 N--CA 1.447 -0.621 0 CA-C-N 114.895 -1.048 . . . . 0.0 111.554 177.108 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.431 ' HB ' ' H ' ' A' ' 7' ' ' GLY . 9.1 t -141.5 19.62 2.21 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.496 0.665 . . . . 0.0 109.476 178.39 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.487 ' C ' ' H ' ' A' ' 13' ' ' ALA . 19.2 m -125.25 -14.78 6.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.609 -0.723 . . . . 0.0 112.353 -168.521 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . 68.55 -33.55 0.24 Allowed 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 123.605 0.762 . . . . 0.0 112.873 -173.821 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.487 ' H ' ' C ' ' A' ' 11' ' ' SER . . . -95.57 24.3 5.36 Favored 'General case' 0 C--N 1.314 -0.947 0 CA-C-O 121.388 0.613 . . . . 0.0 110.506 178.4 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -141.57 111.93 6.95 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.315 -0.857 . . . . 0.0 109.718 179.325 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.55 ' HA3' ' H ' ' A' ' 25' ' ' GLY . . . -155.64 96.9 0.16 Allowed Glycine 0 N--CA 1.443 -0.878 0 C-N-CA 120.088 -1.053 . . . . 0.0 113.701 -176.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -168.01 86.64 0.22 Allowed 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 108.639 -0.874 . . . . 0.0 108.639 173.597 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 58.14 41.64 94.8 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.653 -0.784 . . . . 0.0 111.53 -170.301 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.412 ' O ' ' HB2' ' A' ' 8' ' ' TYR . 1.1 m -84.3 -54.92 7.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 N-CA-C 112.057 0.391 . . . . 0.0 112.057 -174.351 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.478 ' HB3' ' HB2' ' A' ' 22' ' ' SER . . . -111.19 -179.0 3.6 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 110.127 -0.323 . . . . 0.0 110.127 -178.511 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -68.68 -44.49 73.91 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.169 -177.551 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.407 ' CA ' ' HA3' ' B' ' 21' ' ' GLY . . . -135.19 20.58 3.76 Favored Glycine 0 CA--C 1.508 -0.402 0 C-N-CA 120.655 -0.783 . . . . 0.0 111.952 179.096 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.478 ' HB2' ' HB3' ' A' ' 19' ' ' ALA . 16.3 m -130.38 124.17 31.57 Favored 'General case' 0 N--CA 1.445 -0.709 0 CA-C-O 120.953 0.406 . . . . 0.0 110.971 -178.77 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.597 ' CE1' ' HA ' ' A' ' 74' ' ' GLU . 0.1 OUTLIER -148.8 117.84 6.76 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.358 177.902 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -79.7 -23.58 42.29 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 116.134 -0.484 . . . . 0.0 112.07 -175.242 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.55 ' H ' ' HA3' ' A' ' 15' ' ' GLY . . . -64.2 -30.62 78.3 Favored Glycine 0 CA--C 1.509 -0.343 0 C-N-CA 120.895 -0.669 . . . . 0.0 111.936 -179.288 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.428 ' HB3' ' HB2' ' A' ' 78' ' ' GLN . . . -68.68 -14.55 63.09 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.097 0.475 . . . . 0.0 110.237 177.276 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 3.4 t -95.34 -44.29 13.1 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.438 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.402 -179.37 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 43.1 m-80 -64.22 -32.11 73.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.093 0.473 . . . . 0.0 110.174 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 78.3 ttt180 -65.5 -12.15 50.0 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.512 -178.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.44 HD11 ' HB3' ' A' ' 81' ' ' LEU . 74.5 mt -68.66 -27.83 66.33 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.021 0.439 . . . . 0.0 110.968 -179.729 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 76.0 p -81.53 12.02 4.12 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.776 -179.406 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 34.6 t -94.82 162.67 13.66 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.013 -0.54 . . . . 0.0 109.902 176.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.86 -19.75 65.99 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.96 179.803 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -55.73 -62.72 1.5 Allowed 'General case' 0 C--O 1.233 0.236 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.663 179.182 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.487 ' O ' HG21 ' A' ' 39' ' ' VAL . . . -60.42 -49.84 75.97 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.065 -179.069 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -51.61 -36.69 46.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.539 -0.3 . . . . 0.0 111.514 -177.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 47.9 m -75.39 -22.8 57.17 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.616 0.598 . . . . 0.0 112.616 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 53.2 mtm-85 -95.31 -49.5 5.44 Favored 'General case' 0 CA--C 1.512 -0.483 0 CA-C-O 121.419 0.628 . . . . 0.0 109.768 -178.41 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.487 HG21 ' O ' ' A' ' 35' ' ' ALA . 60.3 t -59.12 -32.73 48.6 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.837 0 CA-C-N 114.511 -1.222 . . . . 0.0 111.394 -177.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.485 ' HB2' ' HB3' ' B' ' 101' ' ' SER . 33.4 p -72.62 -12.8 61.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.962 0.411 . . . . 0.0 111.612 -179.422 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 35.3 t -90.91 -18.55 24.57 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.719 0.771 . . . . 0.0 109.124 176.613 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.492 ' OD1' HD12 ' A' ' 61' ' ' ILE . 9.4 m120 -90.77 -27.91 18.6 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 114.878 -1.056 . . . . 0.0 110.141 -174.155 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.526 HG13 ' N ' ' A' ' 44' ' ' ALA . 5.3 pt -56.05 -41.32 68.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.377 -0.828 . . . . 0.0 111.654 -178.456 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.526 ' N ' HG13 ' A' ' 43' ' ' ILE . . . -79.84 -11.21 59.83 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.0 0.428 . . . . 0.0 110.861 -176.691 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -90.33 -51.23 5.54 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.423 -179.193 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 55.3 mt -67.66 -33.41 61.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.597 -178.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.425 ' HB1' HD13 ' B' ' 96' ' ' ILE . . . -62.23 -24.33 67.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.138 0.494 . . . . 0.0 110.763 177.404 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 43.6 t -92.37 -50.36 5.68 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.114 -178.466 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -83.41 -24.32 51.35 Favored Glycine 0 CA--C 1.519 0.284 0 C-N-CA 120.814 -0.708 . . . . 0.0 113.441 -174.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 73.13 -73.68 1.05 Allowed Glycine 0 C--O 1.226 -0.368 0 N-CA-C 111.632 -0.587 . . . . 0.0 111.632 -178.523 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -120.99 -25.94 5.26 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.03 0.443 . . . . 0.0 110.52 178.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 32.9 t -71.58 -14.69 62.16 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.728 -176.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -86.69 -17.7 33.08 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.636 -178.066 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.411 ' N ' ' HD2' ' A' ' 55' ' ' PRO . 41.0 mt -55.63 -58.7 14.25 Favored Pre-proline 0 CA--C 1.534 0.348 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.977 -176.517 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.411 ' HD2' ' N ' ' A' ' 54' ' ' LEU . 20.3 Cg_endo -61.26 -20.84 69.8 Favored 'Trans proline' 0 C--N 1.356 0.927 0 C-N-CA 122.134 1.889 . . . . 0.0 112.52 -176.454 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 15.0 m -89.23 -44.54 10.2 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.046 0.451 . . . . 0.0 110.803 -179.363 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 70.8 t -75.65 -39.18 39.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.388 -174.011 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.506 HG12 ' HG ' ' A' ' 83' ' ' LEU . 64.5 mt -58.64 -42.36 84.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.085 176.587 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 35.0 t -65.07 -42.02 94.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.43 . . . . 0.0 109.959 178.757 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 78.6 m-20 -56.23 -51.03 69.58 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.202 179.08 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.492 HD12 ' OD1' ' A' ' 42' ' ' ASN . 36.7 mt -72.16 -45.69 61.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.067 -178.578 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.447 ' O ' HG21 ' A' ' 66' ' ' VAL . 60.3 t80 -55.91 -54.03 49.62 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-O 120.471 0.177 . . . . 0.0 110.935 -177.004 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 20.2 t -59.66 -34.12 72.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.02 0.438 . . . . 0.0 109.929 -179.706 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -67.65 -44.53 81.47 Favored Glycine 0 C--N 1.332 0.325 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.898 179.677 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.445 HG11 HG13 ' A' ' 70' ' ' VAL . 58.5 t -68.88 -41.07 81.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 120.784 0.326 . . . . 0.0 110.887 179.615 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.447 HG21 ' O ' ' A' ' 62' ' ' TYR . 91.8 t -62.72 -38.33 81.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.691 0.282 . . . . 0.0 110.762 179.286 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.35 -13.61 62.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.296 178.73 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 32.8 t -76.76 -18.23 58.58 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.611 179.049 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 102.26 25.72 7.71 Favored Glycine 0 C--N 1.333 0.391 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.919 178.182 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.445 HG13 HG11 ' A' ' 65' ' ' VAL . 12.7 p -89.68 163.4 2.36 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 N-CA-C 110.225 -0.287 . . . . 0.0 110.225 -179.389 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 37.9 t -68.43 147.98 51.29 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.735 -0.468 . . . . 0.0 109.735 174.319 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 5.1 m -57.25 -49.58 75.59 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.128 0.418 . . . . 0.0 112.128 -174.531 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -74.22 -31.41 62.61 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.802 0.334 . . . . 0.0 110.487 -175.02 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.597 ' HA ' ' CE1' ' A' ' 23' ' ' TYR . 37.7 tt0 -71.55 -31.36 66.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.1 0.476 . . . . 0.0 109.72 177.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.67 -37.93 85.88 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.635 -0.711 . . . . 0.0 111.133 177.424 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -55.53 -45.26 77.19 Favored 'General case' 0 CA--C 1.52 -0.21 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 179.216 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.655 ' O ' ' HG ' ' A' ' 81' ' ' LEU . 42.1 mm -65.33 -56.21 16.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.815 -178.465 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . 0.428 ' HB2' ' HB3' ' A' ' 26' ' ' ALA . 17.8 tt0 -57.91 -46.74 84.52 Favored 'General case' 0 N--CA 1.463 0.212 0 C-N-CA 121.157 -0.217 . . . . 0.0 111.304 -179.762 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.81 -37.51 82.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.959 0.409 . . . . 0.0 110.794 -178.767 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.606 ' O ' HD23 ' A' ' 84' ' ' LEU . 6.0 mt -73.67 -41.34 62.81 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.951 178.024 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.655 ' HG ' ' O ' ' A' ' 77' ' ' ILE . 93.4 mt -59.35 -42.32 91.28 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.883 0.373 . . . . 0.0 110.828 178.59 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -66.43 -35.25 79.83 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.533 175.344 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.506 ' HG ' HG12 ' A' ' 58' ' ' ILE . 3.5 tm? -66.05 -42.55 89.36 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-O 121.311 0.577 . . . . 0.0 109.684 177.526 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.606 HD23 ' O ' ' A' ' 80' ' ' LEU . 4.0 mm? -66.54 -13.27 60.74 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.251 -0.886 . . . . 0.0 111.709 -179.716 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 48.6 m -91.81 -32.13 15.48 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 120.967 0.413 . . . . 0.0 110.577 -176.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -68.56 -47.46 66.79 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.987 -177.522 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.471 ' O ' HG23 ' A' ' 90' ' ' VAL . 1.0 OUTLIER -76.28 -24.21 54.43 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 113.046 0.758 . . . . 0.0 113.046 -171.566 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.46 ' N ' HD12 ' A' ' 87' ' ' LEU . 19.5 m -85.41 -21.31 7.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 C-N-CA 120.093 -0.643 . . . . 0.0 110.428 177.043 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 70.7 t60 -71.78 -37.22 70.48 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.29 178.382 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.471 HG23 ' O ' ' A' ' 87' ' ' LEU . 16.6 m -64.41 -26.12 39.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 C-N-CA 120.699 -0.401 . . . . 0.0 111.178 -175.123 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.452 ' HA ' ' HB1' ' A' ' 94' ' ' ALA . 3.6 mm? -66.94 -22.07 65.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.037 179.223 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 26.2 t -59.76 -29.52 68.23 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-O 120.79 0.329 . . . . 0.0 110.684 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 8.5 t -123.2 13.28 9.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.408 0.623 . . . . 0.0 109.915 -179.683 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . 0.452 ' HB1' ' HA ' ' A' ' 91' ' ' LEU . . . -101.93 98.0 8.28 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.618 179.573 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 33.2 t -72.63 84.57 1.16 Allowed 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.169 -0.469 . . . . 0.0 109.789 176.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.443 HD11 ' HB3' ' B' ' 47' ' ' ALA . 18.6 tt -68.0 142.79 15.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.703 178.58 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -82.5 -97.16 0.5 Allowed Glycine 0 N--CA 1.447 -0.605 0 C-N-CA 120.595 -0.812 . . . . 0.0 111.586 178.617 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 11.3 t30 -145.23 124.73 13.15 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.869 0.366 . . . . 0.0 110.299 176.63 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.422 HG12 ' HB2' ' B' ' 93' ' ' SER . 15.4 m -100.26 151.95 4.95 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.493 -179.748 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 48.7 m -117.16 150.22 39.07 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.459 -178.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' SER . . . . . 0.437 ' HB3' ' HB2' ' B' ' 40' ' ' SER . 47.2 m -80.46 44.38 0.7 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.451 -177.399 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 7.7 p -136.22 130.81 48.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-O 121.081 0.467 . . . . 0.0 110.423 -178.024 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 101.11 -12.3 58.8 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.829 -0.7 . . . . 0.0 112.504 178.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.422 ' O ' HD12 ' A' ' 108' ' ' LEU . 21.2 t -57.23 -33.51 43.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.716 0.293 . . . . 0.0 110.318 178.209 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -50.8 -42.37 58.03 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.595 177.696 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 15.5 m -77.12 -39.11 50.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.35 -178.214 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 31.8 m -59.75 -35.42 74.56 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-O 121.148 0.499 . . . . 0.0 110.57 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.509 ' O ' ' HG3' ' A' ' 112' ' ' GLN . 2.9 mt -61.47 -26.1 67.68 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.517 -0.765 . . . . 0.0 111.754 179.268 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . 0.497 ' N ' HD21 ' A' ' 109' ' ' ASN . 0.8 OUTLIER -72.95 -23.7 60.71 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.073 0.464 . . . . 0.0 110.325 179.855 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 33.5 t -85.07 -39.47 14.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.934 -176.741 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.502 HG13 ' O ' ' A' ' 108' ' ' LEU . 11.3 p -60.58 -29.43 44.7 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.332 0 CA-C-O 121.301 0.572 . . . . 0.0 110.535 -178.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . 0.509 ' HG3' ' O ' ' A' ' 108' ' ' LEU . 25.4 mt-30 -67.39 -21.52 65.6 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.29 -178.499 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -85.62 -26.33 26.12 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.317 0.58 . . . . 0.0 110.809 -173.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 6.7 m -83.82 -44.85 13.92 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.709 -173.604 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . 0.446 HG13 HD22 ' B' ' 81' ' ' LEU . 9.6 p -107.98 -21.41 5.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-O 121.045 0.45 . . . . 0.0 111.376 -173.106 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -57.82 -28.88 60.98 Favored Glycine 0 C--O 1.229 -0.205 0 CA-C-N 115.919 -0.582 . . . . 0.0 113.192 -176.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . 0.407 HE21 ' HB2' ' A' ' 117' ' ' GLN . 0.0 OUTLIER -78.47 -14.81 59.19 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-O 120.606 0.241 . . . . 0.0 111.532 -178.637 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 82.7 m-85 -97.08 -35.43 10.81 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-O 121.037 0.446 . . . . 0.0 110.376 -179.39 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 33.5 m -86.85 -8.38 11.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.963 178.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 C-N-CA 120.678 -0.772 . . . . 0.0 113.02 -179.838 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.489 0 N-CA-C 112.32 -0.312 . . . . 0.0 112.32 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' -4' ' ' SER . . . . . . . . . . . . . 13.4 t -156.38 16.46 0.33 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.947 0.403 . . . . 0.0 110.431 179.331 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' -3' ' ' GLY . . . . . . . . . . . . . . . 86.76 7.5 78.22 Favored Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.795 -0.717 . . . . 0.0 111.841 -178.34 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' -2' ' ' ASN . . . . . . . . . . . . . 4.8 p-10 -84.94 76.11 10.3 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.642 0.734 . . . . 0.0 111.055 -177.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' -1' ' ' SER . . . . . . . . . . . . . 16.7 p -119.7 93.6 4.12 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.088 176.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 69.4 t -124.62 131.03 73.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.263 -177.605 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 18.5 p -83.2 64.66 7.83 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.282 0.563 . . . . 0.0 110.977 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 23.3 t -152.61 -170.48 3.65 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.747 -0.66 . . . . 0.0 109.724 -178.07 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . 84.64 -113.49 3.78 Favored Glycine 0 N--CA 1.443 -0.881 0 C-N-CA 120.924 -0.655 . . . . 0.0 112.056 178.667 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 5' ' ' GLY . . . . . 0.412 ' HA2' ' HB3' ' B' ' 19' ' ' ALA . . . 75.87 -75.2 1.51 Allowed Glycine 0 N--CA 1.448 -0.504 0 C-N-CA 120.805 -0.712 . . . . 0.0 111.437 -177.006 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 6' ' ' TYR . . . . . . . . . . . . . 19.5 p90 -71.62 -176.11 1.51 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.818 0.342 . . . . 0.0 110.215 176.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . 79.14 -71.54 2.61 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.632 -0.794 . . . . 0.0 112.069 -178.653 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 53.8 m-85 -87.15 -33.7 19.32 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.89 0.376 . . . . 0.0 110.479 178.325 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -121.99 45.0 1.26 Allowed Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 120.936 -0.649 . . . . 0.0 112.521 -179.275 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 14.9 t -110.93 -4.96 14.96 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.096 0.474 . . . . 0.0 110.23 177.717 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 4.7 m -77.74 -29.89 51.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.762 -0.654 . . . . 0.0 112.095 -171.503 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . 65.86 7.46 4.62 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 122.994 0.517 . . . . 0.0 111.597 -176.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -122.12 -25.77 4.84 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.468 179.171 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -91.75 151.49 20.6 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 177.484 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . -163.29 95.76 0.13 Allowed Glycine 0 N--CA 1.444 -0.817 0 C-N-CA 120.0 -1.095 . . . . 0.0 113.451 -175.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . 177.51 92.2 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 108.981 -0.748 . . . . 0.0 108.981 173.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 56.67 44.63 91.23 Favored Glycine 0 CA--C 1.521 0.441 0 C-N-CA 120.563 -0.827 . . . . 0.0 111.811 -172.644 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . 0.467 ' CG2' ' HA ' ' B' ' 23' ' ' TYR . 0.8 OUTLIER -80.01 -58.82 3.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 N-CA-C 112.199 0.444 . . . . 0.0 112.199 -174.369 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 19' ' ' ALA . . . . . 0.425 ' HB1' ' HB2' ' B' ' 22' ' ' SER . . . -105.22 176.18 5.25 Favored 'General case' 0 C--N 1.316 -0.862 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 -178.234 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -65.6 -46.54 78.98 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 120.889 0.375 . . . . 0.0 110.513 -179.594 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . 0.407 ' HA3' ' CA ' ' A' ' 21' ' ' GLY . . . -133.82 35.91 2.19 Favored Glycine 0 N--CA 1.446 -0.634 0 N-CA-C 111.557 -0.617 . . . . 0.0 111.557 -178.817 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 22' ' ' SER . . . . . 0.425 ' HB2' ' HB1' ' B' ' 19' ' ' ALA . 8.8 m -151.94 131.13 12.74 Favored 'General case' 0 N--CA 1.443 -0.802 0 CA-C-N 115.484 -0.358 . . . . 0.0 110.243 179.159 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 23' ' ' TYR . . . . . 0.467 ' HA ' ' CG2' ' B' ' 18' ' ' VAL . 0.4 OUTLIER -148.29 126.18 11.96 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.332 -178.891 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -82.12 -15.16 54.34 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.446 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.14 -30.49 77.92 Favored Glycine 0 CA--C 1.509 -0.296 0 C-N-CA 120.996 -0.621 . . . . 0.0 111.851 179.121 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 26' ' ' ALA . . . . . 0.408 ' HB1' ' HB2' ' B' ' 78' ' ' GLN . . . -78.16 -0.24 27.57 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.072 0.463 . . . . 0.0 110.913 178.642 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . 0.506 HG21 ' CD1' ' B' ' 81' ' ' LEU . 2.6 t -110.45 -49.27 6.68 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.441 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.021 -177.659 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 10.4 p30 -74.15 0.79 12.84 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 120.382 -0.527 . . . . 0.0 111.079 -177.32 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 80.4 ttt180 -93.69 -5.01 49.5 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.35 0.595 . . . . 0.0 109.962 175.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . 0.43 ' HG ' ' O ' ' B' ' 27' ' ' VAL . 84.9 mt -74.42 -22.59 59.07 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.962 -177.817 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 59.8 p -81.23 6.8 12.97 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.422 179.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 41.5 t -89.04 156.35 18.9 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.572 -0.74 . . . . 0.0 109.756 177.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.55 -21.98 63.15 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.791 0.329 . . . . 0.0 111.116 -179.809 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -52.53 -63.33 1.18 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.958 178.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 35' ' ' ALA . . . . . 0.45 ' O ' HG23 ' B' ' 39' ' ' VAL . . . -61.44 -46.12 91.42 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.104 -178.482 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -58.66 -24.28 60.89 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.676 0.274 . . . . 0.0 111.737 -177.047 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 28.6 t -88.31 -16.72 32.35 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.739 179.663 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 58.4 mtm-85 -101.61 -49.96 3.86 Favored 'General case' 0 CA--C 1.513 -0.447 0 CA-C-O 121.49 0.662 . . . . 0.0 109.729 -179.19 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . 0.479 HG22 HD21 ' A' ' 108' ' ' LEU . 67.6 t -58.31 -31.66 43.07 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.756 0 CA-C-N 114.604 -1.18 . . . . 0.0 111.472 -178.254 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 40' ' ' SER . . . . . 0.437 ' HB2' ' HB3' ' A' ' 101' ' ' SER . 63.8 p -78.05 -7.05 56.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.898 0.38 . . . . 0.0 111.276 -177.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 40.8 t -94.19 -21.5 19.03 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.756 0.788 . . . . 0.0 109.068 174.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 42' ' ' ASN . . . . . 0.461 ' OD1' HD11 ' B' ' 61' ' ' ILE . 10.2 m120 -86.34 -28.3 23.75 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 114.81 -1.086 . . . . 0.0 109.81 -173.113 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 43' ' ' ILE . . . . . 0.518 HG13 ' N ' ' B' ' 44' ' ' ALA . 5.4 pt -55.11 -42.36 64.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 114.976 -1.011 . . . . 0.0 111.966 -176.891 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . 0.518 ' N ' HG13 ' B' ' 43' ' ' ILE . . . -80.18 -12.46 59.64 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.174 0.511 . . . . 0.0 111.014 -175.11 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -90.31 -50.44 5.97 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.041 -179.332 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 54.2 mt -65.42 -33.71 65.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.433 -179.776 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . 0.443 ' HB3' HD11 ' A' ' 96' ' ' ILE . . . -65.05 -17.03 64.1 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.612 179.457 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 24.7 t -99.37 -39.03 8.59 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.782 0.325 . . . . 0.0 111.05 -177.716 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -99.53 -22.03 13.46 Favored Glycine 0 CA--C 1.518 0.25 0 C-N-CA 120.445 -0.884 . . . . 0.0 113.539 -175.096 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 76.2 -81.73 1.05 Allowed Glycine 0 N--CA 1.448 -0.562 0 N-CA-C 111.132 -0.787 . . . . 0.0 111.132 -178.237 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -115.17 -20.27 10.48 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-O 121.325 0.584 . . . . 0.0 109.84 177.055 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 8.4 t -74.72 -6.92 51.49 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.401 -0.818 . . . . 0.0 110.415 -176.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -101.03 -11.39 19.7 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.904 179.759 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 54' ' ' LEU . . . . . 0.426 ' N ' ' HD2' ' B' ' 55' ' ' PRO . 59.1 mt -56.99 -56.16 36.3 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.894 -177.082 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 55' ' ' PRO . . . . . 0.426 ' HD2' ' N ' ' B' ' 54' ' ' LEU . 19.7 Cg_endo -62.02 -25.94 78.08 Favored 'Trans proline' 0 C--N 1.349 0.588 0 C-N-CA 121.85 1.7 . . . . 0.0 112.558 -178.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 15.3 m -78.05 -36.66 48.17 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.326 0.584 . . . . 0.0 110.601 178.635 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 57.0 t -90.56 -44.78 14.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.567 -171.356 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 58' ' ' ILE . . . . . 0.482 HG12 ' HG ' ' B' ' 83' ' ' LEU . 51.6 mt -56.41 -43.19 76.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 121.01 0.433 . . . . 0.0 110.982 -179.682 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 74.3 m -68.97 -28.41 66.59 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.89 -177.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 80.1 m-20 -68.36 -45.02 73.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.986 0.422 . . . . 0.0 110.543 175.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . 0.461 HD11 ' OD1' ' B' ' 42' ' ' ASN . 40.1 mt -71.18 -45.74 69.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.036 179.366 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 62' ' ' TYR . . . . . 0.43 ' O ' HG22 ' B' ' 66' ' ' VAL . 52.3 t80 -56.78 -50.61 71.78 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.866 -177.077 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 63.1 m -60.56 -30.71 69.95 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.931 0.396 . . . . 0.0 110.683 178.65 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -70.93 -43.74 57.31 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.797 -0.716 . . . . 0.0 111.852 179.47 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 65' ' ' VAL . . . . . 0.452 HG13 HG12 ' B' ' 70' ' ' VAL . 79.3 t -68.43 -45.85 81.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-O 120.783 0.325 . . . . 0.0 111.185 -179.414 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 66' ' ' VAL . . . . . 0.43 HG22 ' O ' ' B' ' 62' ' ' TYR . 88.5 t -60.85 -37.07 75.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.251 -178.889 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.33 -15.25 62.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.779 179.724 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 39.3 t -74.47 -18.64 60.6 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.93 0.395 . . . . 0.0 110.656 179.041 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 95.97 35.04 5.7 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.609 -0.805 . . . . 0.0 112.23 -178.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . 0.452 HG12 HG13 ' B' ' 65' ' ' VAL . 14.5 p -97.36 161.51 2.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 110.076 -0.342 . . . . 0.0 110.076 179.661 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 34.3 t -61.96 144.82 54.5 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 110.074 -0.343 . . . . 0.0 110.074 175.213 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 5.3 p -60.55 -47.08 87.76 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 111.924 0.342 . . . . 0.0 111.924 -175.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -70.91 -30.83 67.28 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.891 0.376 . . . . 0.0 110.124 -178.27 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -76.64 -32.6 58.1 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.129 0.49 . . . . 0.0 110.008 179.735 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.55 -39.46 91.16 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.67 -0.695 . . . . 0.0 111.304 177.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 76' ' ' LEU . . . . . 0.408 ' O ' ' HB2' ' B' ' 80' ' ' LEU . 2.7 tm? -53.99 -39.97 66.53 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.227 178.649 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 77' ' ' ILE . . . . . 0.615 ' O ' ' HG ' ' B' ' 81' ' ' LEU . 43.0 mm -69.63 -55.52 14.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.223 -178.568 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 78' ' ' GLN . . . . . 0.408 ' HB2' ' HB1' ' B' ' 26' ' ' ALA . 30.9 tt0 -57.86 -47.03 83.92 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 120.616 0.246 . . . . 0.0 111.162 179.373 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.5 -35.67 76.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.796 -178.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 80' ' ' LEU . . . . . 0.581 ' O ' HD23 ' B' ' 84' ' ' LEU . 4.0 mt -75.93 -42.23 49.41 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.218 178.666 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . 0.615 ' HG ' ' O ' ' B' ' 77' ' ' ILE . 20.4 mt -65.19 -36.88 85.58 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 120.748 0.309 . . . . 0.0 110.915 -177.862 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 -63.47 -35.94 82.09 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.195 171.72 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 83' ' ' LEU . . . . . 0.482 ' HG ' HG12 ' B' ' 58' ' ' ILE . 3.4 tm? -67.27 -41.85 84.84 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-O 121.172 0.511 . . . . 0.0 109.688 177.686 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 84' ' ' LEU . . . . . 0.581 HD23 ' O ' ' B' ' 80' ' ' LEU . 4.2 mm? -66.54 -12.67 58.81 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.438 -0.801 . . . . 0.0 111.736 -179.741 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 85' ' ' SER . . . . . 0.451 ' OG ' HG11 ' A' ' 111' ' ' VAL . 47.7 m -91.71 -31.99 15.6 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 120.978 0.418 . . . . 0.0 110.408 -177.181 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -69.11 -46.03 68.72 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.9 -176.593 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 87' ' ' LEU . . . . . 0.435 HD13 ' N ' ' B' ' 88' ' ' VAL . 1.4 pp -77.34 -18.04 57.76 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.494 -0.776 . . . . 0.0 113.087 -171.692 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 88' ' ' VAL . . . . . 0.435 ' N ' HD13 ' B' ' 87' ' ' LEU . 15.6 m -90.6 -21.84 6.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 C-N-CA 120.097 -0.641 . . . . 0.0 110.677 176.584 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 89' ' ' HIS . . . . . . . . . . . . . 74.7 t60 -71.4 -35.11 70.9 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.051 178.019 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 90' ' ' VAL . . . . . 0.422 HG23 ' O ' ' B' ' 87' ' ' LEU . 22.2 m -65.18 -28.53 44.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.751 -176.437 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 91' ' ' LEU . . . . . 0.444 ' HA ' ' HB1' ' B' ' 94' ' ' ALA . 3.1 mm? -62.82 -23.35 67.23 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.924 -179.756 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 22.7 t -67.19 -20.37 65.7 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.065 -179.725 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 93' ' ' SER . . . . . 0.422 ' HB2' HG12 ' A' ' 99' ' ' VAL . 17.9 m -124.27 12.43 8.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.357 0.599 . . . . 0.0 110.169 177.238 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 94' ' ' ALA . . . . . 0.444 ' HB1' ' HA ' ' B' ' 91' ' ' LEU . . . -111.0 101.13 9.71 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.048 -178.353 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 22.7 t -78.0 89.54 4.16 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 176.695 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 96' ' ' ILE . . . . . 0.425 HD13 ' HB1' ' A' ' 47' ' ' ALA . 20.1 tt -67.47 144.07 14.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.268 -179.222 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 97' ' ' GLY . . . . . . . . . . . . . . . -95.73 -116.93 3.15 Favored Glycine 0 N--CA 1.445 -0.722 0 C-N-CA 120.864 -0.684 . . . . 0.0 112.408 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 98' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -112.42 103.65 11.76 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.064 0.459 . . . . 0.0 110.591 -176.526 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 99' ' ' VAL . . . . . . . . . . . . . 14.4 m -89.29 163.82 2.31 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.35 175.651 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 100' ' ' SER . . . . . . . . . . . . . 66.5 m -142.67 157.65 44.46 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.211 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 101' ' ' SER . . . . . 0.485 ' HB3' ' HB2' ' A' ' 40' ' ' SER . 51.0 m -74.72 -14.42 60.72 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.332 0.587 . . . . 0.0 111.191 -177.536 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 44.4 t -77.88 101.2 3.48 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.944 -176.047 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . 129.35 -10.26 6.17 Favored Glycine 0 N--CA 1.448 -0.503 0 CA-C-N 115.758 -0.656 . . . . 0.0 112.952 176.779 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 104' ' ' VAL . . . . . . . . . . . . . 29.6 t -59.61 -35.36 58.99 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.272 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 175.146 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -49.47 -41.41 40.3 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.044 -0.98 . . . . 0.0 110.811 175.364 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 20.5 m -81.67 -35.11 30.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.579 -176.646 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 23.9 m -63.2 -38.13 89.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.143 0.497 . . . . 0.0 111.072 -179.677 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 108' ' ' LEU . . . . . 0.609 ' O ' HG11 ' B' ' 111' ' ' VAL . 4.5 mt -57.81 -33.87 69.04 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.442 -0.799 . . . . 0.0 111.964 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 109' ' ' ASN . . . . . . . . . . . . . 19.0 m-80 -69.39 -20.35 63.81 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.817 0.341 . . . . 0.0 111.406 -179.385 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 110' ' ' VAL . . . . . . . . . . . . . 40.1 t -87.88 -38.8 12.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.024 -178.153 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 111' ' ' VAL . . . . . 0.609 HG11 ' O ' ' B' ' 108' ' ' LEU . 7.7 p -61.39 -27.53 42.11 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.274 0 CA-C-O 121.519 0.676 . . . . 0.0 110.303 -179.059 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 112' ' ' GLN . . . . . 0.505 ' HG3' ' O ' ' B' ' 108' ' ' LEU . 24.7 mt-30 -67.15 -22.35 65.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.295 -0.866 . . . . 0.0 111.242 -179.463 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 113' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -79.88 -38.8 31.85 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.599 -175.583 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 4.2 m -77.89 -41.52 36.38 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.311 -0.858 . . . . 0.0 112.151 -169.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 115' ' ' VAL . . . . . . . . . . . . . 8.7 p -108.36 -19.67 6.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-O 120.851 0.358 . . . . 0.0 111.364 -173.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 116' ' ' GLY . . . . . . . . . . . . . . . -57.53 -26.38 56.87 Favored Glycine 0 C--O 1.227 -0.314 0 CA-C-N 116.095 -0.502 . . . . 0.0 113.149 -178.359 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -87.28 6.53 32.89 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 111.899 0.333 . . . . 0.0 111.899 -178.086 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 118' ' ' TYR . . . . . . . . . . . . . 66.4 m-85 -119.86 -27.63 5.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.172 0.51 . . . . 0.0 110.428 176.781 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 119' ' ' VAL . . . . . 0.413 ' O ' ' HB3' ' A' ' 22' ' ' SER . 31.0 m -91.26 1.99 8.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.286 177.742 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.112 -1.382 . . . . 0.0 111.805 179.277 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.917 0 N-CA-C 112.447 -0.261 . . . . 0.0 112.447 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 26.8 t -104.34 103.95 13.76 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 178.497 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . 173.74 -150.73 12.2 Favored Glycine 0 N--CA 1.444 -0.768 0 C-N-CA 120.343 -0.932 . . . . 0.0 112.672 -179.638 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' -2' ' ' ASN . . . . . . . . . . . . . 45.7 t-20 -118.16 116.33 26.6 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 110.032 -0.359 . . . . 0.0 110.032 -173.095 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' -1' ' ' SER . . . . . 0.671 ' HB2' ' O ' ' B' ' -3' ' ' GLY . 15.1 m -113.79 -71.98 0.72 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.563 -0.29 . . . . 0.0 110.693 -179.649 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . 0.507 HG23 ' O ' ' B' ' -3' ' ' GLY . 15.3 m -120.46 175.16 4.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 N-CA-C 110.307 -0.257 . . . . 0.0 110.307 178.513 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.404 ' HA ' HG22 ' B' ' 2' ' ' THR . 14.7 t -117.16 156.26 27.96 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.423 178.106 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.5 m -82.27 148.24 28.47 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.736 -176.617 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -172.15 -146.21 5.24 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.193 178.157 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 86.16 -102.21 2.67 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.994 -0.622 . . . . 0.0 112.886 177.483 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 20.7 p90 -59.49 -29.9 68.17 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 111.9 0.333 . . . . 0.0 111.9 -173.242 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -67.69 -24.16 74.03 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.892 -0.67 . . . . 0.0 112.514 -175.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 68.6 m-85 -132.73 61.79 1.67 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.21 0.529 . . . . 0.0 110.128 177.704 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 130.29 47.34 0.14 Allowed Glycine 0 N--CA 1.447 -0.588 0 C-N-CA 120.448 -0.882 . . . . 0.0 113.148 175.386 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 8.9 t -82.07 -7.11 59.6 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.221 0.534 . . . . 0.0 109.651 175.02 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 63.7 m -156.52 175.16 14.39 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.49 -0.777 . . . . 0.0 109.291 178.435 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -69.7 167.17 17.62 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 110.002 -0.37 . . . . 0.0 110.002 175.198 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -73.27 75.1 1.33 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.295 0.569 . . . . 0.0 112.053 -177.142 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -89.92 -35.45 15.59 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.068 -0.716 . . . . 0.0 109.068 171.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.579 ' HA3' ' N ' ' A' ' 25' ' ' GLY . . . 133.67 -173.06 21.37 Favored Glycine 0 N--CA 1.441 -1.006 0 CA-C-N 115.344 -0.843 . . . . 0.0 112.494 176.703 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 63.84 82.89 0.17 Allowed 'General case' 0 C--N 1.331 -0.207 0 O-C-N 124.274 0.632 . . . . 0.0 111.603 177.555 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 64.03 49.88 64.28 Favored Glycine 0 CA--C 1.519 0.291 0 CA-C-N 115.423 -0.808 . . . . 0.0 113.107 179.392 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.439 ' CG2' ' HA ' ' A' ' 23' ' ' TYR . 2.3 m -93.5 -25.41 4.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 N-CA-C 112.103 0.409 . . . . 0.0 112.103 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -149.02 -179.92 7.39 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.488 -177.501 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -70.38 -46.61 63.7 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.37 -177.711 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -138.26 37.46 1.8 Allowed Glycine 0 N--CA 1.448 -0.528 0 N-CA-C 111.32 -0.712 . . . . 0.0 111.32 -178.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 19.2 m -152.42 126.31 9.02 Favored 'General case' 0 N--CA 1.442 -0.841 0 CA-C-N 115.348 -0.426 . . . . 0.0 110.418 179.571 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.52 ' CE1' ' HA ' ' A' ' 74' ' ' GLU . 0.1 OUTLIER -148.4 117.88 6.97 Favored 'General case' 0 N--CA 1.446 -0.629 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 -179.937 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -80.44 -23.69 40.12 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.798 -176.326 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.579 ' N ' ' HA3' ' A' ' 15' ' ' GLY . . . -65.31 -29.73 75.98 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.805 -0.712 . . . . 0.0 111.623 -178.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.436 ' HB2' ' HB2' ' A' ' 78' ' ' GLN . . . -70.0 -9.63 55.89 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.227 0.537 . . . . 0.0 110.219 176.85 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.476 HG21 ' CD1' ' A' ' 81' ' ' LEU . 2.9 t -102.81 -46.93 10.94 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.464 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.461 179.547 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 46.8 m-80 -61.62 -30.39 70.67 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-O 121.287 0.565 . . . . 0.0 110.282 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 78.8 ttt180 -67.74 -14.13 62.69 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.247 -0.888 . . . . 0.0 111.371 -179.499 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.498 ' HB3' HD11 ' B' ' 108' ' ' LEU . 96.0 mt -66.65 -25.65 66.67 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.514 -177.627 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 31.8 p -80.99 10.91 4.46 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.281 0.562 . . . . 0.0 111.09 -179.713 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 28.2 t -93.69 159.62 15.13 Favored 'General case' 0 N--CA 1.449 -0.51 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 175.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.97 -21.28 63.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.236 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -52.21 -59.83 3.93 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.163 178.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.64 ' O ' HG23 ' A' ' 39' ' ' VAL . . . -61.24 -57.99 10.13 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.246 -179.43 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.88 -31.18 16.64 Favored 'General case' 0 N--CA 1.464 0.259 0 O-C-N 123.247 0.342 . . . . 0.0 111.815 -176.556 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 28.5 t -74.8 -26.77 59.96 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.698 -179.133 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.521 ' HD2' ' OE1' ' A' ' 82' ' ' GLU . 60.1 mtt180 -95.41 -46.04 6.87 Favored 'General case' 0 CA--C 1.516 -0.34 0 CA-C-O 121.944 0.878 . . . . 0.0 109.595 -177.668 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.64 HG23 ' O ' ' A' ' 35' ' ' ALA . 45.7 t -58.64 -40.72 80.09 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.773 0 CA-C-N 114.118 -1.401 . . . . 0.0 111.308 -176.715 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.468 ' HB2' ' HB3' ' B' ' 101' ' ' SER . 81.0 p -74.25 -12.36 60.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.062 0.458 . . . . 0.0 111.244 -178.082 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 40.1 t -89.03 -9.65 50.5 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.471 179.747 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 40.2 m-80 -120.91 -3.6 9.66 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.543 -174.712 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.507 HG13 ' N ' ' A' ' 44' ' ' ALA . 5.6 pt -58.56 -41.3 81.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.916 177.238 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.507 ' N ' HG13 ' A' ' 43' ' ' ILE . . . -77.45 -13.01 60.02 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.081 0.467 . . . . 0.0 110.79 -176.703 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -79.94 -52.96 7.2 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.97 179.335 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.4 HG22 ' HB3' ' A' ' 87' ' ' LEU . 27.9 mt -66.32 -33.84 66.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.492 -179.48 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.415 ' HB1' HD11 ' B' ' 96' ' ' ILE . . . -61.57 -22.28 65.05 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.388 178.399 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 34.0 m -101.77 -41.37 6.55 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.606 -175.101 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -93.76 -24.32 20.89 Favored Glycine 0 CA--C 1.517 0.204 0 C-N-CA 120.532 -0.842 . . . . 0.0 113.192 -176.64 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 73.73 -76.61 0.99 Allowed Glycine 0 N--CA 1.451 -0.333 0 N-CA-C 111.728 -0.549 . . . . 0.0 111.728 -178.537 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -114.95 -27.34 7.41 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 121.082 0.468 . . . . 0.0 110.103 179.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 13.3 m -71.36 -9.97 59.0 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.516 -179.112 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -88.58 -20.06 25.51 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.583 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 50.8 mt -54.02 -56.5 25.19 Favored Pre-proline 0 CA--C 1.537 0.469 0 CA-C-N 116.175 -0.466 . . . . 0.0 112.136 -177.322 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_endo -65.78 -11.6 31.5 Favored 'Trans proline' 0 C--N 1.354 0.84 0 C-N-CA 122.13 1.887 . . . . 0.0 112.829 -179.199 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 29.8 m -92.55 -45.27 8.19 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.081 0.467 . . . . 0.0 110.223 176.746 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 89.0 t -77.24 -40.36 29.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.614 -172.036 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.476 HG12 HD22 ' A' ' 83' ' ' LEU . 58.3 mt -59.41 -46.17 92.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.119 176.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 58.1 m -68.5 -28.66 67.21 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.917 -178.309 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -65.29 -56.58 11.92 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.163 0.506 . . . . 0.0 110.504 175.163 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 55.3 mt -70.03 -43.14 79.46 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 115.517 -0.765 . . . . 0.0 111.496 -174.678 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 50.3 t80 -54.56 -48.05 72.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.251 -177.617 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 13.3 t -64.95 -25.5 67.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.112 0.482 . . . . 0.0 110.591 -179.419 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -76.57 -38.65 32.01 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.722 -0.751 . . . . 0.0 111.349 178.004 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.466 HG11 HG13 ' A' ' 70' ' ' VAL . 92.5 t -71.43 -45.77 67.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 120.848 0.356 . . . . 0.0 111.077 179.446 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 71.1 t -59.99 -34.53 56.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-O 121.034 0.445 . . . . 0.0 111.099 -179.463 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.37 -15.26 47.55 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.967 178.352 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 43.0 t -78.61 -16.22 57.62 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.592 0.234 . . . . 0.0 111.411 -178.638 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 91.08 32.24 9.1 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.567 -0.825 . . . . 0.0 111.948 -177.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.466 HG13 HG11 ' A' ' 65' ' ' VAL . 12.2 p -90.94 161.42 2.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 115.605 -0.297 . . . . 0.0 110.251 -178.505 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 46.7 t -61.41 147.17 45.89 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 110.148 -0.316 . . . . 0.0 110.148 175.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 9.5 m -56.41 -51.51 68.1 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-O 121.016 0.436 . . . . 0.0 111.458 -176.648 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -74.69 -27.23 60.31 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.184 -175.686 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.52 ' HA ' ' CE1' ' A' ' 23' ' ' TYR . 36.1 tt0 -74.98 -33.85 61.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.008 0.432 . . . . 0.0 110.495 179.38 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.18 -37.53 77.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.84 177.162 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -56.53 -43.68 80.07 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.234 179.045 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.582 ' O ' ' HG ' ' A' ' 81' ' ' LEU . 43.8 mm -66.43 -56.87 12.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.054 -177.88 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . 0.436 ' HB2' ' HB2' ' A' ' 26' ' ' ALA . 23.1 tt0 -57.08 -47.79 80.18 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.643 0.259 . . . . 0.0 111.104 -179.635 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.37 -35.93 78.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.953 -178.628 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.425 ' O ' ' HB3' ' A' ' 83' ' ' LEU . 4.2 mt -71.91 -45.23 61.95 Favored 'General case' 0 N--CA 1.449 -0.525 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.878 178.79 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.582 ' HG ' ' O ' ' A' ' 77' ' ' ILE . 20.2 mt -63.38 -35.98 82.21 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 120.925 0.393 . . . . 0.0 110.572 -177.804 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.521 ' OE1' ' HD2' ' A' ' 38' ' ' ARG . 53.1 mt-10 -65.11 -31.24 72.34 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.603 172.564 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.476 HD22 HG12 ' A' ' 58' ' ' ILE . 21.0 tp -70.87 -47.57 58.55 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-O 120.703 0.287 . . . . 0.0 110.837 175.123 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.467 ' O ' HG22 ' A' ' 88' ' ' VAL . 6.3 mp -59.58 -14.98 15.43 Favored 'General case' 0 C--O 1.223 -0.321 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.384 -178.838 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 39.8 m -88.27 -33.95 17.87 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.769 0.318 . . . . 0.0 111.067 -178.715 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -69.95 -41.39 74.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.384 0.612 . . . . 0.0 110.662 -175.782 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.543 HD13 ' N ' ' A' ' 88' ' ' VAL . 1.8 pp -79.13 -25.62 42.9 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.424 -0.807 . . . . 0.0 112.729 -172.495 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.543 ' N ' HD13 ' A' ' 87' ' ' LEU . 17.2 m -86.6 -22.72 7.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 C-N-CA 120.057 -0.657 . . . . 0.0 110.704 177.641 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 72.9 t60 -66.56 -38.95 88.19 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.241 178.159 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.438 ' HB ' ' CD1' ' B' ' 96' ' ' ILE . 22.3 m -67.41 -26.75 36.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.781 -174.267 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.477 ' HA ' ' HB1' ' A' ' 94' ' ' ALA . 3.4 mm? -61.78 -23.23 66.06 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.555 0.217 . . . . 0.0 111.185 -179.702 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 19.2 t -60.33 -31.93 70.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.768 -179.293 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 13.7 t -116.77 3.38 12.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.614 0.721 . . . . 0.0 109.795 -178.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . 0.477 ' HB1' ' HA ' ' A' ' 91' ' ' LEU . . . -94.53 102.55 14.49 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.629 -179.822 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 12.3 t -73.67 89.33 1.75 Allowed 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.716 178.145 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.449 ' CD1' ' HB ' ' B' ' 90' ' ' VAL . 16.3 tt -73.96 148.82 8.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.603 -178.657 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -89.06 -131.51 4.13 Favored Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 120.984 -0.627 . . . . 0.0 111.803 176.273 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 11.0 t30 -116.03 95.38 5.07 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.456 0.646 . . . . 0.0 110.299 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.435 HG11 ' HB3' ' B' ' 93' ' ' SER . 21.4 m -73.58 131.85 34.29 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.528 179.762 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 43.4 m -105.02 152.23 22.98 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.33 -177.246 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' SER . . . . . 0.426 ' HB3' ' HB2' ' B' ' 40' ' ' SER . 19.4 m -78.7 27.92 0.21 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.159 -0.473 . . . . 0.0 112.118 -175.809 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 63.4 t -122.47 120.11 60.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 120.802 0.334 . . . . 0.0 110.428 -177.068 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 113.15 -9.6 24.84 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.882 -0.675 . . . . 0.0 112.604 177.73 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.41 HG22 ' CD2' ' B' ' 89' ' ' HIS . 21.4 t -59.83 -30.47 45.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 C-N-CA 122.214 0.206 . . . . 0.0 111.146 -178.477 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -51.05 -38.85 53.98 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-O 121.263 0.554 . . . . 0.0 111.241 -179.567 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 23.2 t -71.55 -29.36 64.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.078 -178.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 19.2 m -71.88 -35.71 69.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.611 -176.668 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.578 ' O ' HG12 ' A' ' 111' ' ' VAL . 4.5 mm? -57.86 -36.1 71.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.738 177.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 18.0 m-80 -70.36 -16.6 62.99 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.644 -177.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 40.1 t -92.37 -39.55 11.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 120.704 0.288 . . . . 0.0 110.969 -178.252 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.578 HG12 ' O ' ' A' ' 108' ' ' LEU . 7.8 p -60.44 -28.49 42.38 Favored 'Isoleucine or valine' 0 C--O 1.236 0.351 0 CA-C-O 121.415 0.626 . . . . 0.0 110.611 -178.698 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . 0.507 ' HG3' ' O ' ' A' ' 108' ' ' LEU . 24.4 mt-30 -65.55 -26.84 68.06 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.027 -178.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -77.52 -34.68 53.95 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.747 -174.449 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 5.4 m -82.07 -41.31 20.74 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.671 -0.695 . . . . 0.0 112.094 -171.109 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . 0.473 HG12 HD22 ' B' ' 81' ' ' LEU . 12.9 p -105.57 -21.53 5.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 120.817 0.341 . . . . 0.0 111.196 -173.154 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -57.33 -28.23 58.86 Favored Glycine 0 C--N 1.331 0.278 0 CA-C-N 116.042 -0.526 . . . . 0.0 113.171 -176.658 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.88 -1.8 57.63 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.635 0.255 . . . . 0.0 111.595 -177.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 84.7 m-85 -110.85 -29.96 7.74 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.878 0.371 . . . . 0.0 110.624 177.523 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . 0.438 ' O ' ' HB3' ' B' ' 22' ' ' SER . 35.6 m -89.52 -1.32 9.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 121.254 0.549 . . . . 0.0 110.468 175.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.644 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.865 178.485 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.428 0 N-CA-C 111.834 -0.506 . . . . 0.0 111.834 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' -4' ' ' SER . . . . . . . . . . . . . 47.1 t -173.17 139.25 0.79 Allowed 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 110.098 -0.334 . . . . 0.0 110.098 178.591 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' -3' ' ' GLY . . . . . 0.671 ' O ' ' HB2' ' A' ' -1' ' ' SER . . . 86.62 -75.32 2.24 Favored Glycine 0 N--CA 1.447 -0.619 0 C-N-CA 120.956 -0.64 . . . . 0.0 112.445 177.644 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' -2' ' ' ASN . . . . . . . . . . . . . 38.5 t-20 -128.28 88.76 2.8 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 121.12 0.485 . . . . 0.0 110.636 -177.383 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' -1' ' ' SER . . . . . . . . . . . . . 49.8 m -103.06 -68.22 0.84 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.714 175.732 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 33.2 m -123.09 145.8 29.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 174.541 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 2' ' ' THR . . . . . 0.404 HG22 ' HA ' ' A' ' 2' ' ' THR . 41.2 p -115.05 150.82 35.3 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.762 0.315 . . . . 0.0 111.737 -174.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 13.3 m -75.55 101.43 4.89 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.871 -179.771 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -135.89 -172.28 12.6 Favored Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 120.646 -0.788 . . . . 0.0 111.898 178.7 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . 82.98 -72.85 2.77 Favored Glycine 0 N--CA 1.447 -0.568 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.764 178.015 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 6' ' ' TYR . . . . . . . . . . . . . 44.4 p90 -56.84 -32.53 65.87 Favored 'General case' 0 N--CA 1.466 0.326 0 N-CA-C 111.953 0.353 . . . . 0.0 111.953 -174.486 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -64.5 -21.35 66.67 Favored Glycine 0 C--N 1.331 0.277 0 C-N-CA 121.051 -0.595 . . . . 0.0 112.846 -177.579 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 67.0 m-85 -130.23 23.95 5.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.381 0.61 . . . . 0.0 109.743 179.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 167.35 78.62 0.04 OUTLIER Glycine 0 N--CA 1.446 -0.647 0 CA-C-N 115.331 -0.85 . . . . 0.0 111.678 -178.541 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 10.1 t -116.62 -25.88 7.23 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.183 0.516 . . . . 0.0 110.339 178.281 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 49.4 m -150.05 156.92 42.53 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.532 -0.758 . . . . 0.0 108.993 178.052 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -73.98 85.92 1.79 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.009 0.433 . . . . 0.0 110.2 176.021 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -99.57 152.07 20.45 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.453 -179.036 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -87.37 -17.69 31.78 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.143 -179.21 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 15' ' ' GLY . . . . . 0.469 ' HA3' ' N ' ' B' ' 25' ' ' GLY . . . 169.08 -166.49 39.75 Favored Glycine 0 N--CA 1.447 -0.624 0 C-N-CA 120.247 -0.978 . . . . 0.0 112.977 178.668 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 16' ' ' ALA . . . . . 0.556 ' HA ' ' OE1' ' B' ' 74' ' ' GLU . . . 65.36 89.22 0.1 Allowed 'General case' 0 C--O 1.234 0.238 0 C-N-CA 123.325 0.65 . . . . 0.0 111.136 -178.182 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 70.39 44.03 60.24 Favored Glycine 0 CA--C 1.519 0.317 0 CA-C-N 115.364 -0.834 . . . . 0.0 113.154 -179.499 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . 0.533 ' CG2' ' HA ' ' B' ' 23' ' ' TYR . 0.2 OUTLIER -84.57 -60.79 2.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.74 0.305 . . . . 0.0 111.709 179.312 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -108.49 -169.41 1.5 Allowed 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.601 0.239 . . . . 0.0 110.526 -177.544 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -74.03 -49.64 23.31 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.939 -178.556 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -133.99 22.56 3.81 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.911 -0.662 . . . . 0.0 111.67 -178.358 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 22' ' ' SER . . . . . 0.438 ' HB3' ' O ' ' A' ' 119' ' ' VAL . 27.2 m -136.29 130.18 32.56 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.202 -0.499 . . . . 0.0 110.101 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 23' ' ' TYR . . . . . 0.533 ' HA ' ' CG2' ' B' ' 18' ' ' VAL . 0.1 OUTLIER -148.95 117.55 6.57 Favored 'General case' 0 N--CA 1.445 -0.676 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.32 -178.166 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.14 -22.72 52.15 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.734 179.326 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . 0.469 ' N ' ' HA3' ' B' ' 15' ' ' GLY . . . -64.02 -28.77 73.3 Favored Glycine 0 N--CA 1.453 -0.201 0 C-N-CA 121.08 -0.581 . . . . 0.0 112.53 -178.533 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 26' ' ' ALA . . . . . 0.436 ' HB2' ' HB2' ' B' ' 78' ' ' GLN . . . -71.46 -19.88 62.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.307 0.575 . . . . 0.0 110.166 177.897 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . 0.45 ' CG1' ' HA ' ' A' ' 112' ' ' GLN . 2.3 t -90.34 -42.21 13.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.254 -0.884 . . . . 0.0 109.92 179.707 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 77.8 m-20 -67.17 -21.63 65.79 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.445 -0.798 . . . . 0.0 111.409 -175.185 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 6.5 ptp180 -88.83 3.9 49.56 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.937 0.399 . . . . 0.0 110.777 -179.363 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . 0.455 ' HB3' HD11 ' A' ' 108' ' ' LEU . 91.5 mt -75.1 -26.42 59.26 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.204 -178.821 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 11.2 p -78.59 1.77 21.51 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.248 0.547 . . . . 0.0 110.72 178.64 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 47.2 t -77.15 151.24 35.41 Favored 'General case' 0 N--CA 1.445 -0.687 0 N-CA-C 108.947 -0.761 . . . . 0.0 108.947 173.31 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.34 -16.77 49.41 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.895 0.378 . . . . 0.0 111.425 -178.16 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . 0.413 ' O ' ' HG3' ' B' ' 38' ' ' ARG . 27.6 mt-10 -55.72 -61.46 2.34 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.892 178.507 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 35' ' ' ALA . . . . . 0.528 ' O ' HG22 ' B' ' 39' ' ' VAL . . . -57.02 -51.8 67.82 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.665 179.619 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -58.05 -18.33 23.78 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 112.263 0.468 . . . . 0.0 112.263 -177.139 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 31.8 t -89.45 -27.98 20.02 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.384 178.274 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 38' ' ' ARG . . . . . 0.505 ' HD2' ' OE1' ' B' ' 82' ' ' GLU . 70.5 mtt180 -92.44 -47.44 7.16 Favored 'General case' 0 CA--C 1.515 -0.388 0 CA-C-O 121.938 0.875 . . . . 0.0 109.425 -176.151 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . 0.55 ' O ' HG21 ' B' ' 43' ' ' ILE . 59.9 t -57.52 -41.32 78.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 CA-C-N 114.02 -1.445 . . . . 0.0 110.673 -178.67 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 40' ' ' SER . . . . . 0.426 ' HB2' ' HB3' ' A' ' 101' ' ' SER . 65.2 p -72.78 -13.87 61.41 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.729 -177.453 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 35.3 t -90.84 -11.54 39.02 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.234 0.54 . . . . 0.0 110.399 -178.223 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 43.4 m-80 -117.75 -6.12 11.08 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.307 -175.616 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 43' ' ' ILE . . . . . 0.55 HG21 ' O ' ' B' ' 39' ' ' VAL . 6.6 pt -56.75 -43.43 79.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.472 179.556 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . 0.496 ' N ' HG13 ' B' ' 43' ' ' ILE . . . -74.8 -15.65 60.74 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.081 0.467 . . . . 0.0 111.166 -174.382 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -78.97 -51.08 10.12 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.8 179.573 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 34.2 mt -64.47 -33.61 64.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.512 179.483 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . 0.429 ' HB1' HD13 ' A' ' 96' ' ' ILE . . . -63.82 -25.78 68.33 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.415 179.222 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 38.9 m -99.37 -33.58 10.65 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.593 -175.579 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -97.36 -21.67 19.16 Favored Glycine 0 CA--C 1.517 0.215 0 C-N-CA 120.438 -0.887 . . . . 0.0 113.102 -178.064 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 74.43 -76.55 1.11 Allowed Glycine 0 N--CA 1.451 -0.334 0 N-CA-C 111.476 -0.65 . . . . 0.0 111.476 -178.763 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -123.2 -17.36 6.66 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-O 121.126 0.489 . . . . 0.0 110.57 179.066 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 7.7 m -72.2 -20.65 61.54 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.447 -177.686 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -90.42 -13.22 35.37 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.785 -176.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 54' ' ' LEU . . . . . 0.542 ' O ' HG13 ' B' ' 58' ' ' ILE . 37.4 mt -54.74 -58.63 13.45 Favored Pre-proline 0 C--N 1.326 -0.422 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.8 -177.566 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 55' ' ' PRO . . . . . 0.417 ' HD2' ' N ' ' B' ' 54' ' ' LEU . 19.6 Cg_endo -59.37 -22.93 68.0 Favored 'Trans proline' 0 C--N 1.353 0.804 0 C-N-CA 122.12 1.88 . . . . 0.0 112.417 -177.159 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 5.7 m -86.85 -40.25 15.08 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.213 0.53 . . . . 0.0 110.677 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 42.3 t -79.24 -39.05 20.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.497 -173.217 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 58' ' ' ILE . . . . . 0.542 HG13 ' O ' ' B' ' 54' ' ' LEU . 57.9 mt -59.04 -39.65 78.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.794 176.678 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 7.5 t -69.17 -38.22 78.6 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.088 -178.473 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 96.2 m-20 -61.03 -46.56 90.24 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.754 179.328 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 63.7 mt -74.75 -45.17 45.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 115.54 -0.755 . . . . 0.0 111.052 -178.789 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 62' ' ' TYR . . . . . 0.435 ' O ' HG23 ' B' ' 66' ' ' VAL . 53.8 t80 -56.29 -48.89 75.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.913 -179.253 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 32.3 t -60.61 -31.03 70.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.97 0.414 . . . . 0.0 110.444 179.124 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -73.6 -42.16 41.1 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.802 -0.714 . . . . 0.0 111.56 179.291 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 65' ' ' VAL . . . . . 0.452 HG12 HG13 ' B' ' 70' ' ' VAL . 96.0 t -66.51 -46.13 87.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-O 121.019 0.438 . . . . 0.0 110.92 178.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 66' ' ' VAL . . . . . 0.435 HG23 ' O ' ' B' ' 62' ' ' TYR . 98.9 t -62.87 -38.81 82.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.042 -179.005 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -73.18 -6.29 44.86 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.86 0.362 . . . . 0.0 111.668 -179.724 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 22.9 t -85.36 -14.65 45.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.932 0.396 . . . . 0.0 110.465 179.633 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 93.29 34.9 6.48 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.465 -0.874 . . . . 0.0 112.342 -179.281 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . 0.452 HG13 HG12 ' B' ' 65' ' ' VAL . 12.7 p -82.24 162.42 3.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 N-CA-C 110.133 -0.321 . . . . 0.0 110.133 177.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 28.9 t -66.31 146.09 54.99 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 174.349 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 7.4 m -52.53 -55.93 18.76 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 112.834 0.679 . . . . 0.0 112.834 -170.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 73' ' ' ASN . . . . . 0.498 ' HB3' ' OH ' ' B' ' 23' ' ' TYR . 0.2 OUTLIER -79.43 -24.99 42.11 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.967 0.413 . . . . 0.0 110.358 -176.363 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 74' ' ' GLU . . . . . 0.556 ' OE1' ' HA ' ' B' ' 16' ' ' ALA . 37.6 tt0 -69.03 -28.28 66.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.984 0.421 . . . . 0.0 110.203 179.122 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -54.68 -43.8 72.78 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.393 178.465 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -58.02 -43.74 86.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.449 -179.747 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 77' ' ' ILE . . . . . 0.625 ' O ' ' HG ' ' B' ' 81' ' ' LEU . 45.9 mm -65.79 -56.15 16.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.035 -177.306 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 78' ' ' GLN . . . . . 0.436 ' HB2' ' HB2' ' B' ' 26' ' ' ALA . 29.4 tt0 -58.05 -47.48 82.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.658 -0.246 . . . . 0.0 111.044 -179.663 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.91 -37.54 82.61 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.956 0.408 . . . . 0.0 110.787 -178.741 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 80' ' ' LEU . . . . . 0.402 ' O ' ' HB3' ' B' ' 83' ' ' LEU . 3.6 mt -70.96 -44.83 65.24 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.913 178.65 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . 0.625 ' HG ' ' O ' ' B' ' 77' ' ' ILE . 19.9 mt -63.9 -36.47 84.04 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 121.011 0.434 . . . . 0.0 110.682 -177.482 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 82' ' ' GLU . . . . . 0.505 ' OE1' ' HD2' ' B' ' 38' ' ' ARG . 50.6 mt-10 -63.76 -34.37 77.75 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.413 171.889 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 83' ' ' LEU . . . . . 0.483 HD23 HG12 ' B' ' 58' ' ' ILE . 23.6 tp -69.38 -46.33 67.18 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.873 0.368 . . . . 0.0 110.745 176.558 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 10.6 mp -59.62 -15.64 20.36 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.242 -179.626 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 85' ' ' SER . . . . . 0.417 ' OG ' HD13 ' A' ' 108' ' ' LEU . 30.3 m -91.46 -29.17 17.18 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.762 0.315 . . . . 0.0 110.802 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -71.47 -43.91 65.72 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.407 0.622 . . . . 0.0 110.437 -177.128 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 87' ' ' LEU . . . . . 0.425 HD13 ' N ' ' B' ' 88' ' ' VAL . 1.4 pp -80.19 -17.27 52.85 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.239 -0.891 . . . . 0.0 112.891 -172.08 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 88' ' ' VAL . . . . . 0.425 ' N ' HD13 ' B' ' 87' ' ' LEU . 17.0 m -92.5 -24.88 5.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 C-N-CA 120.509 -0.476 . . . . 0.0 110.64 175.85 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 89' ' ' HIS . . . . . 0.41 ' CD2' HG22 ' A' ' 104' ' ' VAL . 77.3 t60 -66.14 -35.91 81.73 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.013 -0.54 . . . . 0.0 109.886 178.514 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 90' ' ' VAL . . . . . 0.449 ' HB ' ' CD1' ' A' ' 96' ' ' ILE . 22.3 m -65.92 -25.62 36.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.456 -175.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 91' ' ' LEU . . . . . 0.444 ' HA ' ' HB1' ' B' ' 94' ' ' ALA . 3.5 mm? -66.33 -20.22 66.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.813 0.34 . . . . 0.0 111.141 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 22.9 t -66.46 -22.29 66.2 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.855 179.162 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 93' ' ' SER . . . . . 0.435 ' HB3' HG11 ' A' ' 99' ' ' VAL . 23.1 t -121.85 11.44 10.39 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.613 0.72 . . . . 0.0 109.594 177.782 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 94' ' ' ALA . . . . . 0.444 ' HB1' ' HA ' ' B' ' 91' ' ' LEU . . . -108.26 95.92 6.0 Favored 'General case' 0 N--CA 1.446 -0.65 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.805 -179.324 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 16.7 t -77.03 87.26 3.54 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.538 -0.542 . . . . 0.0 109.538 177.663 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 96' ' ' ILE . . . . . 0.438 ' CD1' ' HB ' ' A' ' 90' ' ' VAL . 17.8 tt -67.78 144.6 14.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.22 -179.031 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 97' ' ' GLY . . . . . . . . . . . . . . . -92.87 -96.06 1.44 Allowed Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 120.847 -0.692 . . . . 0.0 112.369 -179.604 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 98' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -133.2 118.9 19.19 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.637 0.256 . . . . 0.0 110.728 -178.391 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 99' ' ' VAL . . . . . . . . . . . . . 4.2 m -111.4 128.41 67.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.773 177.374 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 100' ' ' SER . . . . . . . . . . . . . 26.1 m -94.96 151.98 18.73 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.225 179.383 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 101' ' ' SER . . . . . 0.468 ' HB3' ' HB2' ' A' ' 40' ' ' SER . 48.2 m -80.7 7.78 9.46 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.896 0.379 . . . . 0.0 111.902 -177.115 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 60.5 t -103.17 115.77 45.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 120.893 0.378 . . . . 0.0 110.371 -178.234 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . 123.02 -8.06 9.21 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.908 -0.663 . . . . 0.0 112.84 177.263 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 104' ' ' VAL . . . . . . . . . . . . . 38.3 t -61.69 -28.71 44.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 N-CA-C 111.597 0.221 . . . . 0.0 111.597 -177.48 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -46.41 -44.98 17.69 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.767 -179.725 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 36.0 t -69.07 -30.13 68.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.366 -177.646 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 20.3 m -71.22 -24.76 62.26 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.188 0.518 . . . . 0.0 110.123 -178.021 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 108' ' ' LEU . . . . . 0.5 ' O ' ' HG3' ' B' ' 112' ' ' GLN . 4.5 mm? -68.34 -21.56 64.73 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.534 175.249 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 109' ' ' ASN . . . . . 0.535 HD21 ' N ' ' B' ' 109' ' ' ASN . 0.8 OUTLIER -78.22 -38.04 44.05 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.825 -177.735 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 110' ' ' VAL . . . . . . . . . . . . . 8.7 p -81.89 -27.58 9.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.428 -174.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 111' ' ' VAL . . . . . 0.416 HG12 ' O ' ' B' ' 108' ' ' LEU . 10.1 p -64.99 -33.34 63.04 Favored 'Isoleucine or valine' 0 C--O 1.236 0.355 0 CA-C-O 121.173 0.511 . . . . 0.0 110.192 178.04 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 112' ' ' GLN . . . . . 0.5 ' HG3' ' O ' ' B' ' 108' ' ' LEU . 25.4 mt-30 -64.08 -27.86 69.39 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.648 -0.706 . . . . 0.0 110.389 179.064 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 113' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -76.67 -29.95 56.57 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 114.992 -1.004 . . . . 0.0 110.932 -175.249 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 6.3 m -85.27 -41.71 15.31 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.593 -0.73 . . . . 0.0 112.019 -172.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 115' ' ' VAL . . . . . 0.452 HG12 ' CD2' ' A' ' 81' ' ' LEU . 14.7 p -106.72 -22.04 5.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 120.783 0.325 . . . . 0.0 111.646 -172.404 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 116' ' ' GLY . . . . . . . . . . . . . . . -60.35 -22.68 59.06 Favored Glycine 0 C--O 1.228 -0.257 0 CA-C-N 116.201 -0.454 . . . . 0.0 113.107 -176.161 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.54 -0.2 52.24 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 111.729 0.27 . . . . 0.0 111.729 -178.75 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 118' ' ' TYR . . . . . . . . . . . . . 82.8 m-85 -115.01 -37.31 4.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.856 0.36 . . . . 0.0 110.67 177.432 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 119' ' ' VAL . . . . . 0.441 HG23 HG22 ' A' ' 27' ' ' VAL . 35.9 m -85.24 -1.06 6.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.485 -177.852 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.128 0 CA-C-O 117.904 -1.498 . . . . 0.0 111.408 178.756 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.72 0 N-CA-C 112.411 -0.275 . . . . 0.0 112.411 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 39.5 m -96.15 -21.02 18.17 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.818 0.342 . . . . 0.0 110.481 177.506 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . -90.23 147.66 19.3 Favored Glycine 0 N--CA 1.448 -0.566 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.14 179.685 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' -2' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -135.62 138.84 43.31 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 -177.572 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 27.1 p -114.76 123.5 49.41 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.662 0.268 . . . . 0.0 111.35 -177.753 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 50.0 t -124.73 115.9 45.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.109 -0.496 . . . . 0.0 109.875 176.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 13.6 t -95.33 125.11 39.73 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.4 0.619 . . . . 0.0 111.001 -177.419 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 54.1 m -155.67 138.32 15.13 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.751 -0.659 . . . . 0.0 109.538 177.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -164.83 -108.98 0.22 Allowed Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.534 -0.841 . . . . 0.0 112.663 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 110.13 -95.88 0.9 Allowed Glycine 0 N--CA 1.449 -0.467 0 N-CA-C 111.311 -0.715 . . . . 0.0 111.311 -175.653 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 33.9 p90 -149.18 -174.16 4.57 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.789 -0.448 . . . . 0.0 109.789 176.475 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 113.98 -94.2 0.68 Allowed Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.548 -0.834 . . . . 0.0 112.216 178.006 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -80.17 -25.37 39.81 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.293 0.568 . . . . 0.0 110.087 179.43 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -147.13 148.52 20.21 Favored Glycine 0 N--CA 1.448 -0.52 0 N-CA-C 110.059 -1.216 . . . . 0.0 110.059 175.3 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 38.9 p -133.69 -80.5 0.47 Allowed 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 117.476 0.638 . . . . 0.0 111.891 -175.638 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 45.4 m -155.15 -54.81 0.09 Allowed 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.028 -0.533 . . . . 0.0 109.897 -177.028 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -177.71 85.57 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.534 178.158 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -98.62 -178.43 3.99 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.762 0.315 . . . . 0.0 110.729 175.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -87.52 62.81 7.3 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.688 0.756 . . . . 0.0 110.148 176.536 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.474 ' HA2' ' CG1' ' A' ' 18' ' ' VAL . . . -66.45 104.03 0.99 Allowed Glycine 0 N--CA 1.438 -1.206 0 CA-C-N 114.961 -1.018 . . . . 0.0 113.743 -179.436 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -132.94 94.4 3.36 Favored 'General case' 0 C--N 1.313 -0.995 0 N-CA-C 108.474 -0.936 . . . . 0.0 108.474 176.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 63.06 34.49 90.11 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.759 -0.734 . . . . 0.0 111.494 -169.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.474 ' CG1' ' HA2' ' A' ' 15' ' ' GLY . 2.1 m -77.96 -46.13 26.83 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.168 0 CA-C-O 121.055 0.455 . . . . 0.0 111.261 -178.499 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.471 ' HB2' ' HB2' ' A' ' 22' ' ' SER . . . -119.46 -178.22 3.55 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 116.054 -0.521 . . . . 0.0 109.788 178.815 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -68.15 -44.41 76.08 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 120.721 0.296 . . . . 0.0 111.653 -176.414 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -135.95 16.92 3.93 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.948 -0.644 . . . . 0.0 111.859 179.055 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.471 ' HB2' ' HB2' ' A' ' 19' ' ' ALA . 5.7 m -123.18 124.16 42.42 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 120.678 0.275 . . . . 0.0 110.75 -179.86 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.442 ' CE1' ' HA ' ' A' ' 74' ' ' GLU . 0.1 OUTLIER -150.06 111.26 4.4 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 178.766 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.411 ' H ' ' HA3' ' A' ' 15' ' ' GLY . . . -78.06 -15.9 58.5 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.755 -177.41 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.66 -30.68 78.35 Favored Glycine 0 N--CA 1.452 -0.29 0 N-CA-C 111.47 -0.652 . . . . 0.0 111.47 179.527 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.504 ' HB2' ' HB2' ' A' ' 78' ' ' GLN . . . -71.27 -11.39 60.89 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.189 0.519 . . . . 0.0 110.537 177.053 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.583 HG22 ' CD1' ' A' ' 81' ' ' LEU . 3.4 t -98.0 -43.17 11.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.866 -176.799 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 47.1 m-80 -62.0 -31.96 72.38 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-O 121.098 0.475 . . . . 0.0 110.949 -178.21 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 79.4 ttt180 -68.25 -13.99 62.65 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.639 -0.709 . . . . 0.0 111.695 -178.339 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 81.6 mt -68.7 -21.12 64.43 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.838 0.351 . . . . 0.0 111.638 -176.437 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 32.0 t -79.3 -3.19 44.89 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.054 -177.601 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 39.8 m -86.83 157.56 19.53 Favored 'General case' 0 N--CA 1.442 -0.873 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.134 176.302 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.59 -16.49 48.6 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.779 -178.258 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -52.32 -59.88 3.88 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.707 178.512 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.627 ' O ' HG22 ' A' ' 39' ' ' VAL . . . -62.73 -51.98 65.05 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.527 -0.761 . . . . 0.0 110.179 179.011 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -48.51 -38.14 19.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.993 -176.393 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 32.5 m -74.29 -20.72 60.03 Favored 'General case' 0 CA--C 1.539 0.534 0 N-CA-C 112.152 0.427 . . . . 0.0 112.152 -178.156 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 50.6 mtm-85 -99.01 -40.79 7.87 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.593 0.711 . . . . 0.0 109.808 -177.608 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.627 HG22 ' O ' ' A' ' 35' ' ' ALA . 35.2 t -65.47 -39.88 86.53 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.832 0 CA-C-N 114.677 -1.147 . . . . 0.0 110.915 -178.813 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 80.8 p -77.47 -3.72 41.85 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.843 0.354 . . . . 0.0 111.872 -177.304 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 15.4 t -94.69 -16.81 22.79 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.508 0.67 . . . . 0.0 109.848 179.193 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 42.4 m-80 -110.97 -3.08 15.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.224 -176.293 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.447 HG21 ' O ' ' A' ' 39' ' ' VAL . 3.3 pt -61.21 -34.48 60.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-O 121.185 0.516 . . . . 0.0 110.464 175.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.438 ' N ' HG13 ' A' ' 43' ' ' ILE . . . -83.81 1.92 40.7 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.068 -178.371 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -99.73 -51.68 3.67 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.241 177.579 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 34.0 mt -65.8 -33.34 62.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.749 -178.325 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.414 ' HB2' HD11 ' B' ' 96' ' ' ILE . . . -66.92 -14.44 62.79 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.607 179.181 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 44.6 t -98.17 -42.9 7.22 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.099 -177.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -99.05 -21.59 15.24 Favored Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.418 -0.896 . . . . 0.0 113.334 -175.751 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 72.9 -76.75 0.84 Allowed Glycine 0 N--CA 1.452 -0.297 0 N-CA-C 111.596 -0.602 . . . . 0.0 111.596 -178.138 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -114.34 -22.64 9.8 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-O 121.219 0.533 . . . . 0.0 110.151 179.486 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.7 m -72.82 -11.56 60.65 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.609 -179.29 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -91.7 -19.36 22.71 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.717 -178.683 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.451 HD11 HG13 ' B' ' 88' ' ' VAL . 51.0 mt -53.51 -58.93 10.78 Favored Pre-proline 0 CA--C 1.534 0.352 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.918 -176.216 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.411 ' HD3' ' HB2' ' A' ' 54' ' ' LEU . 38.5 Cg_endo -66.44 -7.95 19.26 Favored 'Trans proline' 0 C--N 1.353 0.793 0 C-N-CA 122.213 1.942 . . . . 0.0 112.862 -176.321 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 46.4 m -101.54 -38.67 7.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.979 0.419 . . . . 0.0 110.926 178.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 71.6 t -80.19 -40.8 20.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.41 -175.657 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.457 HG12 ' HG ' ' A' ' 83' ' ' LEU . 68.8 mt -58.18 -38.33 67.5 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.318 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.945 176.529 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 31.8 t -66.6 -41.33 88.62 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.108 -179.406 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 95.5 m-20 -59.97 -53.9 52.39 Favored 'General case' 0 C--O 1.231 0.117 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.049 178.735 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 54.9 mt -68.57 -43.85 83.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 115.502 -0.772 . . . . 0.0 111.581 -176.124 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.424 ' O ' HG23 ' A' ' 66' ' ' VAL . 58.9 t80 -55.98 -50.47 70.74 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.735 0.302 . . . . 0.0 110.731 -177.835 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 55.7 m -66.67 -20.94 66.09 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.475 -178.597 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -79.14 -39.69 18.75 Favored Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 120.519 -0.848 . . . . 0.0 111.415 176.461 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.433 HG11 HG11 ' A' ' 70' ' ' VAL . 84.9 t -72.02 -44.25 66.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-O 120.825 0.345 . . . . 0.0 111.322 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.424 HG23 ' O ' ' A' ' 62' ' ' TYR . 95.3 t -60.04 -36.79 69.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.751 0.31 . . . . 0.0 111.075 -178.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.56 -8.12 31.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.864 179.6 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 22.7 t -83.84 -12.45 55.57 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.94 -179.5 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 96.35 32.82 6.48 Favored Glycine 0 N--CA 1.453 -0.225 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.428 179.332 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.433 HG11 HG11 ' A' ' 65' ' ' VAL . 12.6 p -100.79 156.48 4.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-O 120.553 0.216 . . . . 0.0 110.494 178.345 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 45.4 t -65.91 153.16 42.8 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.596 -0.274 . . . . 0.0 110.37 177.484 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 4.8 m -59.61 -51.13 71.15 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 112.039 0.385 . . . . 0.0 112.039 -174.722 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -71.3 -30.43 66.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.97 0.414 . . . . 0.0 110.05 -176.515 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.442 ' HA ' ' CE1' ' A' ' 23' ' ' TYR . 31.5 tt0 -75.09 -33.27 61.62 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.146 0.498 . . . . 0.0 110.029 178.499 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -62.66 -39.81 95.07 Favored 'General case' 0 CA--C 1.517 -0.312 0 CA-C-N 115.762 -0.653 . . . . 0.0 110.816 175.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -53.2 -42.64 66.47 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.038 178.264 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.701 ' O ' ' HG ' ' A' ' 81' ' ' LEU . 45.3 mm -66.48 -58.32 6.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.045 -179.482 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . 0.504 ' HB2' ' HB2' ' A' ' 26' ' ' ALA . 24.0 tt0 -56.43 -46.25 80.37 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-O 120.608 0.242 . . . . 0.0 111.312 -179.769 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.66 -39.18 90.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.98 -178.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.531 ' O ' HD21 ' A' ' 84' ' ' LEU . 5.8 mt -70.01 -37.71 75.74 Favored 'General case' 0 C--O 1.221 -0.444 0 CA-C-O 120.829 0.347 . . . . 0.0 110.923 177.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.701 ' HG ' ' O ' ' A' ' 77' ' ' ILE . 81.6 mt -69.08 -33.35 73.39 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-O 120.819 0.343 . . . . 0.0 111.067 -179.743 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -75.06 -15.68 60.61 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.256 0.55 . . . . 0.0 110.561 172.837 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.457 ' HG ' HG12 ' A' ' 58' ' ' ILE . 3.4 tm? -85.31 -43.98 13.24 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 175.492 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.531 HD21 ' O ' ' A' ' 80' ' ' LEU . 4.2 mm? -68.64 -9.18 48.36 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.275 -0.875 . . . . 0.0 112.024 -178.611 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 2.0 p -96.78 -32.1 12.3 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 120.876 0.369 . . . . 0.0 111.075 -179.331 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -66.0 -45.23 82.34 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.783 -179.467 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.466 ' O ' HG23 ' A' ' 90' ' ' VAL . 1.3 pp -79.5 -17.73 53.48 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 112.997 0.74 . . . . 0.0 112.997 -172.396 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.441 ' N ' HD13 ' A' ' 87' ' ' LEU . 16.9 m -91.5 -22.03 6.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 C-N-CA 120.19 -0.604 . . . . 0.0 110.592 176.623 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 67.8 t60 -70.3 -35.46 73.69 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 176.712 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.466 HG23 ' O ' ' A' ' 87' ' ' LEU . 19.0 m -64.86 -25.53 37.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.068 -177.589 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.456 ' HA ' ' HB2' ' A' ' 94' ' ' ALA . 2.8 mm? -63.7 -18.76 64.34 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.027 178.338 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 33.8 t -65.52 -23.55 66.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.74 178.272 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 6.7 t -127.68 11.55 6.74 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.665 0.745 . . . . 0.0 109.808 179.545 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . 0.456 ' HB2' ' HA ' ' A' ' 91' ' ' LEU . . . -108.5 89.1 2.89 Favored 'General case' 0 N--CA 1.446 -0.646 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.275 178.585 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 11.5 t -75.54 87.11 2.65 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.691 -179.794 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.468 ' CD1' ' HB ' ' B' ' 90' ' ' VAL . 18.1 tt -66.82 149.17 11.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 115.183 -0.917 . . . . 0.0 111.764 -176.849 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -97.59 -106.91 2.5 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.509 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -124.52 117.67 24.88 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.82 0.343 . . . . 0.0 110.389 -179.418 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.408 HG11 ' HA ' ' B' ' 90' ' ' VAL . 6.1 m -102.41 142.09 17.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.049 -179.637 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 36.8 t -92.01 145.94 24.13 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.163 -178.384 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 5.7 p -82.35 -0.94 48.14 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.296 0.569 . . . . 0.0 110.346 176.606 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 48.8 t -94.67 107.19 19.08 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.28 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.966 -175.287 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 122.23 -2.41 10.57 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.681 177.298 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.472 ' O ' HD12 ' A' ' 108' ' ' LEU . 39.9 t -59.54 -35.98 62.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 120.465 0.174 . . . . 0.0 110.729 178.911 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -54.51 -41.96 70.25 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 121.477 0.656 . . . . 0.0 109.688 179.181 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 6.0 m -72.07 -35.17 69.21 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 115.249 -0.887 . . . . 0.0 111.475 -177.56 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 59.8 m -64.46 -34.62 78.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.172 0.511 . . . . 0.0 110.039 177.153 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.654 ' O ' ' HG3' ' A' ' 112' ' ' GLN . 1.4 mt -61.72 -23.92 66.45 Favored 'General case' 0 C--O 1.221 -0.415 0 CA-C-N 115.604 -0.725 . . . . 0.0 111.025 177.681 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . 0.462 ' N ' HD21 ' A' ' 109' ' ' ASN . 0.9 OUTLIER -67.63 -31.82 72.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.075 0.464 . . . . 0.0 110.536 178.099 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 26.3 t -82.12 -37.87 15.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.844 -176.08 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.554 HG12 ' O ' ' A' ' 108' ' ' LEU . 7.6 p -61.61 -31.0 49.43 Favored 'Isoleucine or valine' 0 C--O 1.234 0.277 0 CA-C-O 121.384 0.611 . . . . 0.0 110.057 -178.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . 0.654 ' HG3' ' O ' ' A' ' 108' ' ' LEU . 25.1 mt-30 -66.07 -20.7 66.25 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.825 -179.053 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -87.79 -32.92 18.83 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.445 -175.7 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 12.9 m -81.52 -43.52 18.66 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.806 -173.1 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . 0.465 HG13 ' O ' ' A' ' 111' ' ' VAL . 7.3 p -108.18 -22.2 5.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 120.811 0.338 . . . . 0.0 111.283 -174.675 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -59.06 -28.42 63.82 Favored Glycine 0 CA--C 1.518 0.26 0 C-N-CA 121.279 -0.486 . . . . 0.0 113.002 -177.528 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.15 -5.22 58.3 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 111.792 0.293 . . . . 0.0 111.792 -178.593 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 89.3 m-85 -106.35 -28.7 10.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.945 0.402 . . . . 0.0 110.649 177.783 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . 0.473 ' O ' ' HB3' ' B' ' 22' ' ' SER . 35.1 m -90.18 -4.24 10.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.979 177.653 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.393 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.445 179.27 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 N-CA-C 111.89 -0.484 . . . . 0.0 111.89 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' -4' ' ' SER . . . . . . . . . . . . . 43.3 m -96.95 105.39 17.52 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.799 0.333 . . . . 0.0 110.652 179.154 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' -3' ' ' GLY . . . . . . . . . . . . . . . 157.94 116.46 0.48 Allowed Glycine 0 N--CA 1.448 -0.544 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.191 178.68 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' -2' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -82.58 124.41 30.12 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.967 -0.383 . . . . 0.0 109.967 178.533 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' -1' ' ' SER . . . . . . . . . . . . . 5.6 p -81.08 104.3 11.48 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.346 -177.494 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 48.0 t -102.96 125.76 57.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.518 176.341 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 13.9 t -112.57 179.3 4.02 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 120.809 0.337 . . . . 0.0 110.666 -176.046 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 31.6 m -141.39 96.24 2.96 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.11 0.481 . . . . 0.0 110.174 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -88.52 77.72 1.79 Allowed Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.78 -0.724 . . . . 0.0 111.795 -179.438 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -122.86 -147.2 7.35 Favored Glycine 0 N--CA 1.445 -0.738 0 C-N-CA 120.646 -0.788 . . . . 0.0 112.841 -177.669 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 6' ' ' TYR . . . . . . . . . . . . . 9.9 p90 -154.49 -168.22 2.86 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.974 -0.38 . . . . 0.0 109.974 -177.763 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . 88.14 -93.93 1.94 Allowed Glycine 0 N--CA 1.447 -0.587 0 C-N-CA 120.627 -0.797 . . . . 0.0 112.363 179.602 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 22.1 t80 -74.12 -32.4 63.17 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.054 0.454 . . . . 0.0 110.435 -178.784 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -135.02 120.35 2.34 Favored Glycine 0 N--CA 1.449 -0.475 0 N-CA-C 111.409 -0.676 . . . . 0.0 111.409 178.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 77.1 p -133.47 -178.38 4.97 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.603 0.239 . . . . 0.0 110.736 -177.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 15.7 m -63.39 -49.03 75.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.147 0.499 . . . . 0.0 110.709 175.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -151.08 101.8 2.9 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.432 -179.407 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -107.07 177.57 4.81 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.671 178.333 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.91 175.37 8.15 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.462 177.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 15' ' ' GLY . . . . . 0.566 ' HA3' ' N ' ' B' ' 25' ' ' GLY . . . -142.28 -172.2 13.53 Favored Glycine 0 N--CA 1.444 -0.82 0 C-N-CA 120.037 -1.078 . . . . 0.0 113.354 -178.069 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . 68.02 86.34 0.13 Allowed 'General case' 0 C--O 1.233 0.23 0 C-N-CA 123.331 0.652 . . . . 0.0 111.398 -179.209 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 63.86 47.83 82.3 Favored Glycine 0 N--CA 1.452 -0.284 0 CA-C-N 115.572 -0.74 . . . . 0.0 112.92 -179.778 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . 0.505 ' CG2' ' HA ' ' B' ' 23' ' ' TYR . 0.3 OUTLIER -86.26 -60.87 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 N-CA-C 112.065 0.394 . . . . 0.0 112.065 -179.27 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -112.02 -175.38 2.67 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.643 -0.253 . . . . 0.0 110.387 -175.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -68.33 -53.19 25.84 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.053 -179.098 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -128.98 20.83 5.34 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.752 -0.737 . . . . 0.0 111.86 -176.709 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 22' ' ' SER . . . . . 0.473 ' HB3' ' O ' ' A' ' 119' ' ' VAL . 30.5 m -136.53 131.72 34.27 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.429 -0.385 . . . . 0.0 110.443 -179.779 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 23' ' ' TYR . . . . . 0.505 ' HA ' ' CG2' ' B' ' 18' ' ' VAL . 0.2 OUTLIER -150.04 120.05 7.19 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.278 -179.219 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -83.0 -19.87 36.17 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.101 179.667 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . 0.566 ' N ' ' HA3' ' B' ' 15' ' ' GLY . . . -67.69 -27.51 73.6 Favored Glycine 0 CA--C 1.508 -0.394 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.298 -177.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 26' ' ' ALA . . . . . 0.421 ' HB2' ' HB2' ' B' ' 78' ' ' GLN . . . -70.36 -14.04 62.4 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.175 0.512 . . . . 0.0 109.925 176.266 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . 0.464 ' CG1' ' HA ' ' A' ' 112' ' ' GLN . 2.6 t -96.24 -45.65 13.01 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.439 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.548 -178.625 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 58.5 m-80 -63.05 -23.17 67.32 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-O 120.873 0.368 . . . . 0.0 111.486 -176.045 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 4.3 ptm180 -92.41 8.96 36.23 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.047 0.451 . . . . 0.0 110.871 -174.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . 0.456 HD13 ' HB3' ' B' ' 81' ' ' LEU . 95.2 mt -73.57 -25.89 60.57 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.94 179.309 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 13.6 t -84.89 20.64 1.78 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.278 0.561 . . . . 0.0 110.134 177.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 69.7 m -94.68 151.18 19.5 Favored 'General case' 0 N--CA 1.44 -0.968 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.763 174.775 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -56.98 -23.39 45.52 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.781 -178.35 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -57.99 -54.68 44.22 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.439 178.151 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 35' ' ' ALA . . . . . 0.634 ' O ' HG23 ' B' ' 39' ' ' VAL . . . -67.76 -53.95 23.19 Favored 'General case' 0 CA--C 1.514 -0.426 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.729 -179.754 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.19 -37.43 34.96 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.03 0.381 . . . . 0.0 112.03 -175.406 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 29.6 m -80.08 -12.22 59.7 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 112.377 0.51 . . . . 0.0 112.377 -178.716 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 34.8 mtm180 -98.81 -47.84 5.15 Favored 'General case' 0 CA--C 1.515 -0.396 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 177.078 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . 0.634 HG23 ' O ' ' B' ' 35' ' ' ALA . 24.4 t -60.09 -36.83 70.09 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 CA-C-N 114.535 -1.211 . . . . 0.0 111.084 -178.568 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 60.6 p -72.98 -10.36 59.72 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.096 0.474 . . . . 0.0 111.332 179.611 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 22.8 t -92.61 -14.35 28.33 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.791 0.805 . . . . 0.0 109.149 177.077 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 42' ' ' ASN . . . . . 0.449 ' OD1' HD12 ' B' ' 61' ' ' ILE . 11.4 m120 -96.1 -27.3 15.14 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.063 -0.971 . . . . 0.0 109.967 -174.65 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 43' ' ' ILE . . . . . 0.574 HG13 ' N ' ' B' ' 44' ' ' ALA . 5.8 pt -56.56 -40.61 69.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 115.408 -0.814 . . . . 0.0 111.427 -178.845 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . 0.574 ' N ' HG13 ' B' ' 43' ' ' ILE . . . -81.72 -8.61 59.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.05 0.452 . . . . 0.0 111.077 -176.612 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -94.98 -49.46 5.54 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.094 -179.584 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 57.8 mt -65.51 -34.8 72.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.324 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . 0.404 ' CB ' HD11 ' A' ' 96' ' ' ILE . . . -68.74 -6.53 27.02 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.676 179.211 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 30.6 t -103.1 -11.31 18.18 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.797 -0.183 . . . . 0.0 111.4 -177.047 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -140.55 -27.3 0.21 Allowed Glycine 0 C--N 1.33 0.222 0 C-N-CA 119.979 -1.105 . . . . 0.0 113.414 -176.75 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 86.26 -73.07 2.57 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 121.145 -0.55 . . . . 0.0 111.728 -178.369 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -118.04 -21.88 8.08 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.796 0.331 . . . . 0.0 111.167 -179.255 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 6.1 m -70.2 -20.41 63.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.228 0.537 . . . . 0.0 111.047 -176.408 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -90.27 -13.72 34.75 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.127 -176.684 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 54' ' ' LEU . . . . . 0.418 HD11 HG12 ' A' ' 88' ' ' VAL . 39.9 mt -56.11 -57.99 19.05 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-N 116.069 -0.514 . . . . 0.0 112.022 -176.011 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 55' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -60.31 -26.82 83.57 Favored 'Trans proline' 0 C--N 1.353 0.781 0 C-N-CA 121.89 1.727 . . . . 0.0 112.669 -177.678 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 33.7 m -86.69 -23.95 25.39 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.062 0.458 . . . . 0.0 111.112 -178.372 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 42.8 t -92.99 -42.17 13.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.868 -177.267 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 58' ' ' ILE . . . . . 0.43 HG12 ' HG ' ' B' ' 83' ' ' LEU . 63.7 mt -61.08 -38.9 80.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.802 0.334 . . . . 0.0 110.522 179.503 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 5.6 t -65.47 -36.99 85.53 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.219 -0.446 . . . . 0.0 109.823 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 -62.82 -51.08 68.44 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.807 177.543 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . 0.449 HD12 ' OD1' ' B' ' 42' ' ' ASN . 46.7 mt -65.64 -47.3 86.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 115.648 -0.705 . . . . 0.0 111.215 -178.065 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 62' ' ' TYR . . . . . 0.461 ' O ' HG23 ' B' ' 66' ' ' VAL . 54.6 t80 -56.91 -47.96 79.34 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.787 0.327 . . . . 0.0 110.433 -178.66 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 23.0 m -64.02 -25.15 67.99 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.031 -0.532 . . . . 0.0 111.052 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -78.14 -43.37 13.66 Favored Glycine 0 N--CA 1.449 -0.473 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 176.203 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 65' ' ' VAL . . . . . 0.511 HG11 HG13 ' B' ' 70' ' ' VAL . 76.0 t -64.56 -46.86 91.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 115.285 -0.457 . . . . 0.0 111.084 -179.442 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 66' ' ' VAL . . . . . 0.461 HG23 ' O ' ' B' ' 62' ' ' TYR . 80.3 t -62.09 -40.0 85.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.949 -179.826 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -69.03 -13.87 62.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.678 -179.225 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 68' ' ' SER . . . . . 0.406 ' HB2' ' O ' ' B' ' 65' ' ' VAL . 56.9 m -73.05 -26.24 61.22 Favored 'General case' 0 N--CA 1.441 -0.881 0 CA-C-O 120.88 0.371 . . . . 0.0 110.94 179.288 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 104.1 39.24 2.51 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.659 -0.782 . . . . 0.0 111.855 -176.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . 0.511 HG13 HG11 ' B' ' 65' ' ' VAL . 13.6 p -97.08 163.34 2.45 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 N-CA-C 110.284 -0.265 . . . . 0.0 110.284 179.411 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 1.1 m -66.47 153.09 43.78 Favored 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 110.146 -0.316 . . . . 0.0 110.146 175.049 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 15.5 m -56.34 -56.36 22.08 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 112.718 0.636 . . . . 0.0 112.718 -173.145 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 73' ' ' ASN . . . . . 0.404 ' HB3' ' OH ' ' B' ' 23' ' ' TYR . 0.2 OUTLIER -79.44 -22.85 43.64 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.105 0.479 . . . . 0.0 110.243 -176.189 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 74' ' ' GLU . . . . . 0.486 ' HA ' ' CE1' ' B' ' 23' ' ' TYR . 32.4 tt0 -70.84 -29.28 65.37 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.917 178.861 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.1 -39.82 91.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.324 -0.853 . . . . 0.0 111.11 176.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 76' ' ' LEU . . . . . 0.414 HD21 ' HB3' ' B' ' 118' ' ' TYR . 2.7 tm? -56.28 -47.32 78.85 Favored 'General case' 0 CA--C 1.518 -0.257 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.977 179.594 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 77' ' ' ILE . . . . . 0.708 ' O ' ' HG ' ' B' ' 81' ' ' LEU . 41.5 mm -62.04 -57.74 10.7 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-N 115.284 -0.871 . . . . 0.0 110.953 -177.835 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 78' ' ' GLN . . . . . 0.421 ' HB2' ' HB2' ' B' ' 26' ' ' ALA . 36.3 tt0 -57.13 -46.48 82.63 Favored 'General case' 0 C--O 1.234 0.263 0 O-C-N 122.997 0.186 . . . . 0.0 111.282 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -59.68 -39.05 83.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.893 0.378 . . . . 0.0 110.878 -179.034 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 80' ' ' LEU . . . . . 0.682 ' O ' ' HG ' ' B' ' 84' ' ' LEU . 7.1 mt -72.11 -43.09 65.29 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.141 178.1 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . 0.708 ' HG ' ' O ' ' B' ' 77' ' ' ILE . 68.3 mt -58.53 -42.52 87.95 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.909 0.385 . . . . 0.0 111.007 -179.597 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 56.9 mt-10 -64.91 -33.57 76.34 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.477 176.279 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 83' ' ' LEU . . . . . 0.43 ' HG ' HG12 ' B' ' 58' ' ' ILE . 3.4 tm? -69.61 -39.62 77.11 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.608 -0.516 . . . . 0.0 109.608 177.883 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 84' ' ' LEU . . . . . 0.682 ' HG ' ' O ' ' B' ' 80' ' ' LEU . 12.8 mt -65.09 -17.64 64.63 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.202 -177.852 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 33.8 m -91.98 -32.16 15.34 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.001 0.429 . . . . 0.0 110.951 -173.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 86' ' ' ALA . . . . . 0.4 ' O ' HG11 ' B' ' 90' ' ' VAL . . . -67.41 -41.77 84.35 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.027 -176.661 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 87' ' ' LEU . . . . . 0.466 HD13 ' N ' ' B' ' 88' ' ' VAL . 1.3 pp -82.71 -20.24 36.47 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 112.934 0.716 . . . . 0.0 112.934 -172.23 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 88' ' ' VAL . . . . . 0.466 ' N ' HD13 ' B' ' 87' ' ' LEU . 15.9 m -89.06 -22.49 6.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 C-N-CA 120.175 -0.61 . . . . 0.0 110.758 177.25 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 89' ' ' HIS . . . . . . . . . . . . . 60.7 t60 -69.18 -37.96 78.43 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.049 177.016 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 90' ' ' VAL . . . . . 0.468 ' HB ' ' CD1' ' A' ' 96' ' ' ILE . 25.7 m -66.57 -28.36 43.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 N-CA-C 112.172 0.434 . . . . 0.0 112.172 -174.485 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 91' ' ' LEU . . . . . 0.432 ' HA ' ' HB2' ' B' ' 94' ' ' ALA . 2.3 mm? -62.59 -21.76 65.86 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-O 120.802 0.334 . . . . 0.0 111.082 -179.737 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 13.9 t -63.68 -24.17 67.67 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.164 -178.642 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 13.0 t -125.93 12.47 7.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.382 0.611 . . . . 0.0 110.043 178.311 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 94' ' ' ALA . . . . . 0.432 ' HB2' ' HA ' ' B' ' 91' ' ' LEU . . . -103.11 98.16 8.14 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.137 177.09 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 23.1 t -75.42 92.05 2.8 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.127 0.489 . . . . 0.0 109.708 179.02 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 96' ' ' ILE . . . . . 0.435 ' CD1' ' HB ' ' A' ' 90' ' ' VAL . 20.4 tt -73.47 145.62 11.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.968 -178.581 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 97' ' ' GLY . . . . . . . . . . . . . . . -92.72 -113.39 2.12 Favored Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.858 -0.687 . . . . 0.0 112.098 177.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 98' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -119.98 117.02 26.95 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.956 0.408 . . . . 0.0 110.593 -178.393 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 99' ' ' VAL . . . . . 0.412 ' CG1' HD13 ' B' ' 96' ' ' ILE . 11.6 m -99.45 151.9 4.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.647 178.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 100' ' ' SER . . . . . . . . . . . . . 22.3 t -120.17 161.28 21.32 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.155 -176.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 11.9 p -81.63 -0.06 40.78 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.066 0.46 . . . . 0.0 110.943 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 48.6 t -91.09 111.02 23.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.25 -175.749 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . 121.16 -12.21 9.78 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.914 173.634 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 104' ' ' VAL . . . . . 0.415 ' O ' HD12 ' B' ' 108' ' ' LEU . 18.2 t -58.95 -33.93 51.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 N-CA-C 110.18 -0.304 . . . . 0.0 110.18 179.283 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -53.12 -43.23 66.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.267 178.086 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 25.8 m -80.02 -35.61 37.06 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.169 -178.449 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 31.3 m -59.92 -34.82 73.72 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 121.333 0.587 . . . . 0.0 110.337 177.446 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 108' ' ' LEU . . . . . 0.567 ' O ' ' HG3' ' B' ' 112' ' ' GLN . 3.1 mt -62.04 -27.51 68.94 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.523 -0.762 . . . . 0.0 111.354 177.459 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 109' ' ' ASN . . . . . 0.435 HD21 ' N ' ' B' ' 109' ' ' ASN . 0.9 OUTLIER -68.55 -25.71 65.05 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.075 0.464 . . . . 0.0 110.135 178.501 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 110' ' ' VAL . . . . . . . . . . . . . 34.4 t -84.86 -39.37 14.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.952 -177.097 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 111' ' ' VAL . . . . . 0.487 HG11 ' O ' ' B' ' 108' ' ' LEU . 7.8 p -62.78 -28.73 45.49 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.299 0 CA-C-O 121.31 0.576 . . . . 0.0 110.439 -178.836 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 112' ' ' GLN . . . . . 0.567 ' HG3' ' O ' ' B' ' 108' ' ' LEU . 26.3 mt-30 -68.76 -30.45 69.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.852 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 113' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -72.64 -39.0 67.53 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.365 -0.834 . . . . 0.0 110.447 -175.159 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 5.9 m -74.08 -41.92 60.94 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.303 -0.862 . . . . 0.0 112.324 -169.751 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 115' ' ' VAL . . . . . . . . . . . . . 12.6 p -113.1 -17.88 8.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-O 120.807 0.337 . . . . 0.0 111.823 -173.461 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 116' ' ' GLY . . . . . . . . . . . . . . . -56.29 -31.4 59.44 Favored Glycine 0 C--O 1.226 -0.381 0 C-N-CA 121.167 -0.539 . . . . 0.0 113.034 -178.479 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.07 -0.65 40.82 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 111.78 0.289 . . . . 0.0 111.78 -176.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 118' ' ' TYR . . . . . 0.414 ' HB3' HD21 ' B' ' 76' ' ' LEU . 64.7 m-85 -112.11 -23.16 10.61 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.1 0.476 . . . . 0.0 110.5 178.582 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 119' ' ' VAL . . . . . . . . . . . . . 34.4 m -95.52 -5.05 10.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.347 175.457 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.989 0 CA-C-O 118.564 -1.131 . . . . 0.0 112.243 179.186 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.798 0 N-CA-C 112.032 -0.427 . . . . 0.0 112.032 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' -4' ' ' SER . . . . . 0.409 ' HB2' ' HA2' ' B' ' -3' ' ' GLY . 15.2 m -102.18 132.98 47.76 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 110.113 -0.329 . . . . 0.0 110.113 178.324 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . -79.63 -8.77 87.47 Favored Glycine 0 C--N 1.331 0.26 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.879 -177.18 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' -2' ' ' ASN . . . . . . . . . . . . . 17.7 m120 -60.59 127.4 31.52 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 178.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' -1' ' ' SER . . . . . 0.501 ' CB ' ' HA ' ' B' ' -1' ' ' SER . 27.8 m -105.53 139.77 39.64 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.261 -0.427 . . . . 0.0 112.073 -170.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . 0.481 ' C ' ' HG1' ' A' ' 2' ' ' THR . 46.2 t -90.23 -43.41 14.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.055 -0.52 . . . . 0.0 109.783 176.852 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.481 ' HG1' ' C ' ' A' ' 1' ' ' VAL . 50.9 p 56.99 -85.17 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 114.007 1.114 . . . . 0.0 114.007 176.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.4 m -79.08 151.31 31.5 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.744 0.646 . . . . 0.0 112.744 -168.215 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.477 ' C ' ' H ' ' A' ' 6' ' ' TYR . . . 149.71 176.77 23.17 Favored Glycine 0 N--CA 1.448 -0.549 0 CA-C-N 115.242 -0.89 . . . . 0.0 111.096 177.734 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -76.12 26.66 1.48 Allowed Glycine 0 C--N 1.332 0.318 0 C-N-CA 121.092 -0.575 . . . . 0.0 112.494 177.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.477 ' H ' ' C ' ' A' ' 4' ' ' GLY . 4.0 p90 -148.94 8.55 0.75 Allowed 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 122.806 0.443 . . . . 0.0 110.53 -178.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -105.22 115.36 4.9 Favored Glycine 0 N--CA 1.445 -0.714 0 C-N-CA 120.534 -0.841 . . . . 0.0 112.314 -174.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 68.4 m-85 59.06 20.69 8.57 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 123.173 0.589 . . . . 0.0 111.407 -179.46 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 153.28 115.05 0.57 Allowed Glycine 0 N--CA 1.446 -0.661 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 -177.633 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.468 HG21 ' HA ' ' A' ' 6' ' ' TYR . 12.9 p -89.07 -84.43 0.21 Allowed 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 120.8 0.333 . . . . 0.0 111.852 -176.745 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 16.6 m -71.8 -51.39 22.81 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.037 -0.528 . . . . 0.0 111.593 -176.397 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -142.26 110.06 5.82 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.822 -175.681 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -73.19 102.14 3.54 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.273 175.241 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -79.38 -56.63 4.19 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.145 -178.483 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.452 ' O ' ' HA3' ' A' ' 25' ' ' GLY . . . 148.3 63.18 0.01 OUTLIER Glycine 0 N--CA 1.445 -0.7 0 C-N-CA 120.21 -0.995 . . . . 0.0 112.989 178.712 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -156.36 96.58 1.69 Allowed 'General case' 0 C--N 1.313 -1.009 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 178.2 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 62.5 40.78 99.53 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.356 -0.926 . . . . 0.0 111.731 -170.516 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 2.4 m -84.96 -24.18 7.15 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.224 0 CA-C-O 121.244 0.545 . . . . 0.0 111.264 -178.558 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.464 ' HB3' ' HB2' ' A' ' 22' ' ' SER . . . -144.08 178.62 7.74 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.673 178.165 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -67.27 -44.33 79.62 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.329 -178.368 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -136.66 20.76 3.45 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.878 -0.677 . . . . 0.0 111.974 -179.02 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.464 ' HB2' ' HB3' ' A' ' 19' ' ' ALA . 34.2 m -130.41 122.65 28.18 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.803 0.335 . . . . 0.0 110.893 -179.757 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.591 ' CE1' ' HA ' ' A' ' 74' ' ' GLU . 0.0 OUTLIER -152.14 121.94 7.0 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 179.443 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -81.09 -21.2 40.15 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.651 -176.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.452 ' HA3' ' O ' ' A' ' 15' ' ' GLY . . . -62.13 -32.52 82.72 Favored Glycine 0 CA--C 1.511 -0.194 0 C-N-CA 120.996 -0.621 . . . . 0.0 112.205 179.716 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.453 ' HB2' ' HB2' ' A' ' 78' ' ' GLN . . . -69.87 -11.98 61.28 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.101 0.477 . . . . 0.0 110.477 178.46 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.431 HG11 ' HG2' ' B' ' 112' ' ' GLN . 3.4 t -96.76 -42.4 11.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.537 -178.418 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 47.2 m-80 -64.96 -33.99 77.34 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 121.039 0.447 . . . . 0.0 110.723 -178.226 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 16.8 ttp180 -59.47 -18.06 36.64 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 115.664 -0.698 . . . . 0.0 112.26 179.587 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.444 HD11 ' HB3' ' A' ' 81' ' ' LEU . 64.1 mt -68.24 -27.41 66.33 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.566 -177.266 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 32.4 t -77.95 -2.9 39.18 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.994 -177.385 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 66.4 m -85.19 155.08 21.58 Favored 'General case' 0 N--CA 1.44 -0.933 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 174.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.79 -16.18 57.01 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.737 -175.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -57.43 -55.33 36.15 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.756 179.462 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.523 ' O ' HG21 ' A' ' 39' ' ' VAL . . . -60.79 -47.79 84.75 Favored 'General case' 0 CA--C 1.515 -0.39 0 CA-C-O 120.9 0.381 . . . . 0.0 110.059 176.841 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -56.63 -17.21 7.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.863 -178.425 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 45.1 m -94.73 -16.52 22.99 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 112.26 0.467 . . . . 0.0 112.26 179.395 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 62.2 mtp85 -103.01 -42.89 5.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.757 0.789 . . . . 0.0 109.443 178.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.523 HG21 ' O ' ' A' ' 35' ' ' ALA . 40.7 t -61.66 -40.77 87.86 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-N 114.772 -1.104 . . . . 0.0 111.04 -179.648 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 84.0 p -75.32 -8.27 56.21 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.956 0.408 . . . . 0.0 111.419 -178.132 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 33.6 t -88.76 -16.95 30.89 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.271 0.558 . . . . 0.0 109.836 179.228 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 46.6 m-80 -116.28 -1.68 12.3 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.444 -173.718 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.449 HG13 ' N ' ' A' ' 44' ' ' ALA . 4.0 pt -58.76 -41.73 83.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.055 177.455 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.449 ' N ' HG13 ' A' ' 43' ' ' ILE . . . -77.46 -16.05 58.98 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.939 0.399 . . . . 0.0 110.726 -176.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -78.14 -51.07 10.82 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.244 -179.531 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.454 HG22 ' HB3' ' A' ' 87' ' ' LEU . 45.3 mt -68.26 -31.01 49.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.302 179.728 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.413 ' HB2' HD11 ' B' ' 96' ' ' ILE . . . -62.91 -28.17 69.87 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.008 178.544 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 36.3 t -95.58 -51.06 4.69 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.133 -178.335 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -80.09 -24.56 59.36 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.532 -0.842 . . . . 0.0 113.181 -175.265 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 72.15 -78.99 0.65 Allowed Glycine 0 N--CA 1.449 -0.466 0 N-CA-C 111.765 -0.534 . . . . 0.0 111.765 -179.06 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -116.22 -22.48 8.86 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 115.151 -0.524 . . . . 0.0 110.543 179.772 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 31.0 t -74.45 -14.42 60.84 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.253 0.549 . . . . 0.0 110.525 -178.18 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -89.24 -17.8 28.31 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.77 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.438 ' N ' ' HD2' ' A' ' 55' ' ' PRO . 40.4 mt -54.4 -57.25 19.44 Favored Pre-proline 0 C--N 1.326 -0.438 0 CA-C-N 116.104 -0.498 . . . . 0.0 112.04 -175.779 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.438 ' HD2' ' N ' ' A' ' 54' ' ' LEU . 18.4 Cg_endo -60.88 -22.34 73.71 Favored 'Trans proline' 0 C--N 1.351 0.679 0 C-N-CA 122.221 1.947 . . . . 0.0 112.481 -176.807 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 15.2 m -88.02 -42.25 12.55 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.986 0.422 . . . . 0.0 110.502 -179.695 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 74.7 t -76.38 -41.41 35.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.322 -174.187 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.515 HG12 ' HG ' ' A' ' 83' ' ' LEU . 55.6 mt -57.63 -40.71 76.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.294 176.753 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 4.4 t -70.35 -39.4 74.69 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.14 -178.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 88.3 m-20 -58.64 -44.49 90.06 Favored 'General case' 0 CA--C 1.517 -0.309 0 CA-C-O 121.337 0.589 . . . . 0.0 110.828 178.464 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.426 HG23 ' HB2' ' A' ' 82' ' ' GLU . 62.4 mt -76.08 -47.53 31.33 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.108 -179.256 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.443 ' O ' HG23 ' A' ' 66' ' ' VAL . 53.3 t80 -52.75 -55.34 23.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.973 -178.669 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 8.1 t -63.47 -29.73 70.96 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.515 -177.202 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -69.82 -34.84 72.24 Favored Glycine 0 N--CA 1.448 -0.511 0 C-N-CA 120.923 -0.656 . . . . 0.0 112.176 -178.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 39.9 t -81.95 -40.45 17.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 120.771 0.32 . . . . 0.0 110.73 179.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.443 HG23 ' O ' ' A' ' 62' ' ' TYR . 98.4 t -59.18 -36.6 63.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.86 179.549 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.69 -16.61 50.45 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.849 179.418 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 20.1 t -78.84 -22.2 46.48 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.839 0.352 . . . . 0.0 110.612 179.772 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 106.14 30.93 4.27 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.559 -0.829 . . . . 0.0 112.918 178.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 13.9 p -95.35 158.15 3.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 177.586 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 48.0 t -65.08 144.94 56.92 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.979 -0.378 . . . . 0.0 109.979 175.569 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 4.2 p -59.4 -41.74 90.13 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 112.173 0.434 . . . . 0.0 112.173 -176.216 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -69.57 -35.6 75.52 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.84 0.352 . . . . 0.0 110.352 -177.357 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.591 ' HA ' ' CE1' ' A' ' 23' ' ' TYR . 31.4 tt0 -77.89 -32.57 51.92 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.18 0.514 . . . . 0.0 109.963 178.859 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.65 -39.15 90.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.544 174.629 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.418 ' O ' HD21 ' A' ' 80' ' ' LEU . 2.7 tm? -51.21 -52.67 42.25 Favored 'General case' 0 CA--C 1.517 -0.297 0 O-C-N 123.747 0.654 . . . . 0.0 109.927 178.129 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.733 ' O ' ' HG ' ' A' ' 81' ' ' LEU . 37.8 mm -58.9 -57.41 11.37 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.194 -177.786 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . 0.453 ' HB2' ' HB2' ' A' ' 26' ' ' ALA . 10.3 tt0 -56.61 -46.14 81.08 Favored 'General case' 0 N--CA 1.465 0.286 0 C-N-CA 121.179 -0.208 . . . . 0.0 111.373 179.82 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -59.09 -39.43 82.18 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.834 0.35 . . . . 0.0 110.814 179.732 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.418 HD21 ' O ' ' A' ' 76' ' ' LEU . 3.4 mm? -69.59 -37.12 76.79 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.049 177.005 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.733 ' HG ' ' O ' ' A' ' 77' ' ' ILE . 63.4 mt -68.45 -37.93 80.65 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 120.74 0.305 . . . . 0.0 110.84 -179.457 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.426 ' HB2' HG23 ' A' ' 61' ' ' ILE . 46.7 mt-10 -71.51 -21.0 61.98 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.355 0.598 . . . . 0.0 110.595 175.147 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.515 ' HG ' HG12 ' A' ' 58' ' ' ILE . 3.4 tm? -79.5 -45.87 18.49 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.629 176.581 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -74.8 0.76 14.35 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.791 -0.64 . . . . 0.0 112.116 -176.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.9 p -101.78 -30.6 11.2 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.984 0.421 . . . . 0.0 110.741 177.757 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -66.33 -47.91 71.97 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.291 0.567 . . . . 0.0 110.828 179.762 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.454 ' HB3' HG22 ' A' ' 46' ' ' ILE . 1.1 pp -77.21 -17.16 58.71 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 113.165 0.802 . . . . 0.0 113.165 -171.835 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.426 ' N ' HD12 ' A' ' 87' ' ' LEU . 16.2 m -91.4 -19.91 6.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 C-N-CA 120.242 -0.583 . . . . 0.0 110.541 177.099 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 59.5 t60 -73.3 -37.2 66.3 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 176.824 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.41 ' HB ' HD13 ' B' ' 96' ' ' ILE . 26.8 m -66.28 -25.94 36.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.71 -175.451 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.481 ' HA ' ' HB3' ' A' ' 94' ' ' ALA . 2.9 mm? -66.65 -20.43 65.99 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.651 0.263 . . . . 0.0 111.061 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 32.3 t -66.63 -17.96 65.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.763 0.316 . . . . 0.0 110.844 -179.652 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.9 t -131.09 17.08 5.06 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.621 0.724 . . . . 0.0 109.674 177.156 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . 0.481 ' HB3' ' HA ' ' A' ' 91' ' ' LEU . . . -107.45 96.53 6.47 Favored 'General case' 0 N--CA 1.446 -0.647 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.277 178.222 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 31.4 t -72.18 87.21 1.09 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.804 179.592 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.425 ' HA ' ' HA ' ' B' ' 94' ' ' ALA . 20.8 tt -71.04 148.76 10.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.796 -178.193 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -101.08 -114.49 3.77 Favored Glycine 0 C--N 1.334 0.417 0 CA-C-N 116.088 -0.505 . . . . 0.0 112.425 179.496 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 10.1 t30 -114.54 111.83 21.99 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.78 0.324 . . . . 0.0 110.516 -179.144 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.405 HG11 HD13 ' A' ' 96' ' ' ILE . 7.3 m -95.74 137.72 23.11 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-O 121.216 0.532 . . . . 0.0 111.21 -179.701 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 21.8 p -87.7 138.78 31.17 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.494 -0.775 . . . . 0.0 110.89 -177.701 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 5.5 p -86.62 32.11 0.66 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.185 0.517 . . . . 0.0 110.542 178.666 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 10.3 p -139.93 142.48 32.0 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.556 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 -178.562 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 99.58 -10.06 60.84 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.887 -0.673 . . . . 0.0 111.687 -177.436 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.444 ' O ' HD13 ' A' ' 108' ' ' LEU . 25.8 t -59.78 -32.18 48.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.553 0.216 . . . . 0.0 110.71 177.525 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -52.03 -44.81 64.35 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 121.744 0.783 . . . . 0.0 110.1 177.47 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 9.5 m -71.04 -36.65 72.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.159 -0.928 . . . . 0.0 111.066 -179.223 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 26.0 m -63.83 -37.18 86.43 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.934 0.397 . . . . 0.0 110.95 179.787 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.677 ' O ' HG12 ' A' ' 111' ' ' VAL . 1.6 mt -61.12 -34.1 74.44 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.471 179.847 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 11.0 m-80 -61.21 -27.64 68.57 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.979 0.419 . . . . 0.0 111.221 176.02 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 30.1 t -81.78 -37.19 14.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.746 -178.166 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.677 HG12 ' O ' ' A' ' 108' ' ' LEU . 6.3 p -65.62 -30.14 49.21 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.234 0 CA-C-O 121.377 0.608 . . . . 0.0 109.897 -179.761 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . 0.651 ' HG3' ' O ' ' A' ' 108' ' ' LEU . 21.7 mt-30 -67.33 -25.44 66.01 Favored 'General case' 0 CA--C 1.521 -0.149 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.034 178.656 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -79.37 -33.16 43.09 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.243 -0.89 . . . . 0.0 110.418 -178.178 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 5.2 m -78.76 -39.29 36.51 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.341 -0.845 . . . . 0.0 112.21 -171.086 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 14.8 p -123.64 -14.21 5.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 120.961 0.41 . . . . 0.0 111.585 -173.305 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -59.41 -28.44 64.74 Favored Glycine 0 C--O 1.229 -0.203 0 C-N-CA 121.123 -0.56 . . . . 0.0 112.833 -177.811 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.44 1.65 50.59 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.794 0.33 . . . . 0.0 111.528 -179.241 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . 0.415 ' HB3' HD22 ' A' ' 76' ' ' LEU . 66.3 m-85 -111.5 -27.28 8.66 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.956 0.407 . . . . 0.0 110.334 178.101 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . 0.475 ' O ' ' HB3' ' B' ' 22' ' ' SER . 35.8 m -89.28 -2.5 9.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 121.368 0.604 . . . . 0.0 110.257 173.272 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.494 0 CA-C-N 115.624 -0.716 . . . . 0.0 112.115 178.458 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.562 0 N-CA-C 112.08 -0.408 . . . . 0.0 112.08 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' -4' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -88.4 91.55 8.84 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 120.869 0.366 . . . . 0.0 110.917 179.17 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' -3' ' ' GLY . . . . . 0.409 ' HA2' ' HB2' ' A' ' -4' ' ' SER . . . 178.31 173.62 43.86 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.527 -0.844 . . . . 0.0 113.04 -179.502 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' -2' ' ' ASN . . . . . . . . . . . . . 46.6 t-20 -150.06 134.24 17.14 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 108.339 -0.986 . . . . 0.0 108.339 179.417 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' -1' ' ' SER . . . . . 0.501 ' HA ' ' CB ' ' A' ' -1' ' ' SER . 50.5 m -77.13 88.08 3.61 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.403 0.621 . . . . 0.0 111.533 -175.073 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 48.9 t -100.73 -52.49 8.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.468 -0.787 . . . . 0.0 109.821 177.09 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 49.6 p 64.2 -55.36 0.25 Allowed 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 125.088 1.355 . . . . 0.0 113.445 178.431 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 18.1 m -81.32 114.37 20.05 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.833 0.349 . . . . 0.0 110.873 -176.045 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -147.85 -179.71 24.07 Favored Glycine 0 N--CA 1.448 -0.528 0 N-CA-C 111.339 -0.704 . . . . 0.0 111.339 179.758 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -76.48 4.66 49.13 Favored Glycine 0 CA--C 1.519 0.286 0 C-N-CA 120.883 -0.675 . . . . 0.0 113.303 -177.226 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 6' ' ' TYR . . . . . . . . . . . . . 35.2 p90 -126.91 10.78 7.06 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.86 0.362 . . . . 0.0 110.825 -179.607 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -147.11 152.16 24.35 Favored Glycine 0 N--CA 1.448 -0.553 0 N-CA-C 111.259 -0.736 . . . . 0.0 111.259 -178.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 65.64 -67.81 0.13 Allowed 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 123.339 0.656 . . . . 0.0 111.372 -175.387 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -125.43 81.35 0.36 Allowed Glycine 0 N--CA 1.447 -0.629 0 N-CA-C 111.697 -0.561 . . . . 0.0 111.697 178.592 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 18.2 p -63.65 -56.37 16.28 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.267 0.556 . . . . 0.0 111.094 -179.651 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 13.8 m -138.66 -70.31 0.42 Allowed 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.606 -0.724 . . . . 0.0 109.956 178.082 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -125.52 125.88 43.95 Favored 'General case' 0 N--CA 1.441 -0.901 0 CA-C-N 115.365 -0.834 . . . . 0.0 109.929 -178.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -144.78 140.57 28.56 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.129 -179.054 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -94.62 -32.35 13.45 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.992 -178.199 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 15' ' ' GLY . . . . . 0.5 ' HA3' ' N ' ' B' ' 25' ' ' GLY . . . 170.57 -157.62 28.87 Favored Glycine 0 N--CA 1.445 -0.711 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.088 179.292 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 16' ' ' ALA . . . . . 0.468 ' HA ' ' OE2' ' B' ' 74' ' ' GLU . . . 57.3 74.9 0.4 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.222 0.534 . . . . 0.0 111.47 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 84.92 42.68 7.06 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 120.897 -0.668 . . . . 0.0 112.83 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . 0.553 ' CG2' ' HA ' ' B' ' 23' ' ' TYR . 2.5 m -81.74 -30.57 10.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 121.049 0.452 . . . . 0.0 111.072 175.868 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -140.97 177.24 8.19 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.817 -0.628 . . . . 0.0 109.87 179.736 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.03 -54.23 41.4 Favored 'General case' 0 C--N 1.323 -0.567 0 O-C-N 123.438 0.461 . . . . 0.0 111.16 -179.743 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -128.82 27.83 4.28 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.957 -0.64 . . . . 0.0 111.997 -176.194 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 22' ' ' SER . . . . . 0.475 ' HB3' ' O ' ' A' ' 119' ' ' VAL . 15.4 m -143.43 134.04 25.01 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 115.346 -0.427 . . . . 0.0 110.112 178.612 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 23' ' ' TYR . . . . . 0.553 ' HA ' ' CG2' ' B' ' 18' ' ' VAL . 0.3 OUTLIER -149.22 126.43 11.4 Favored 'General case' 0 N--CA 1.446 -0.646 0 CA-C-O 120.844 0.354 . . . . 0.0 110.595 -176.918 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . 0.403 ' HA ' HG22 ' B' ' 27' ' ' VAL . . . -86.65 -16.21 37.32 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.084 179.16 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . 0.5 ' N ' ' HA3' ' B' ' 15' ' ' GLY . . . -66.19 -24.3 71.87 Favored Glycine 0 C--N 1.33 0.197 0 C-N-CA 120.974 -0.631 . . . . 0.0 112.414 -178.686 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 26' ' ' ALA . . . . . 0.44 ' HB2' ' HB2' ' B' ' 78' ' ' GLN . . . -76.7 -18.7 58.37 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.167 0.508 . . . . 0.0 110.473 177.185 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . 0.441 HG12 ' HG2' ' A' ' 112' ' ' GLN . 1.9 t -93.03 -45.79 13.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.575 -0.738 . . . . 0.0 110.602 -176.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 58.3 m-20 -63.22 -25.15 68.2 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.542 -0.753 . . . . 0.0 111.482 -173.199 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 17.7 ptp180 -84.17 0.25 49.37 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.417 -176.474 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . 0.461 HD11 ' HB3' ' B' ' 81' ' ' LEU . 85.3 mt -75.64 -21.35 57.79 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.096 0.474 . . . . 0.0 110.809 -179.446 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 38.9 t -80.71 12.82 2.91 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.301 0.572 . . . . 0.0 110.358 179.6 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 60.4 m -100.79 151.05 22.15 Favored 'General case' 0 N--CA 1.437 -1.118 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.144 175.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.18 -19.22 62.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.733 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -52.57 -56.92 11.9 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.489 176.231 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 35' ' ' ALA . . . . . 0.691 ' O ' HG22 ' B' ' 39' ' ' VAL . . . -61.03 -53.33 58.58 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.187 176.732 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -49.79 -31.99 12.93 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.886 -176.286 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 55.9 m -72.9 -28.94 62.77 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.108 -0.497 . . . . 0.0 112.025 -179.215 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 49.3 mtp85 -95.01 -40.66 9.54 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.598 0.714 . . . . 0.0 109.356 -176.569 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . 0.691 HG22 ' O ' ' B' ' 35' ' ' ALA . 15.7 t -63.68 -42.14 95.02 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.777 0 CA-C-N 114.841 -1.072 . . . . 0.0 110.749 -179.54 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 40' ' ' SER . . . . . 0.509 ' O ' HG12 ' B' ' 43' ' ' ILE . 90.4 p -72.58 -12.86 61.23 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-O 120.944 0.402 . . . . 0.0 111.039 -179.074 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 35.1 t -87.63 -11.37 48.69 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.989 0.423 . . . . 0.0 110.308 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 39.0 m-80 -116.66 -4.9 11.64 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.224 -175.073 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 43' ' ' ILE . . . . . 0.522 HG13 ' N ' ' B' ' 44' ' ' ALA . 6.4 pt -59.01 -41.54 83.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 121.019 0.438 . . . . 0.0 110.934 177.129 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . 0.522 ' N ' HG13 ' B' ' 43' ' ' ILE . . . -80.54 -7.27 59.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.108 0.48 . . . . 0.0 110.821 -176.678 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -86.3 -49.53 7.61 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.922 178.301 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 46' ' ' ILE . . . . . 0.437 HG22 ' HB3' ' B' ' 87' ' ' LEU . 39.9 mt -68.86 -34.52 64.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.483 179.291 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . 0.424 ' HB2' HD11 ' A' ' 96' ' ' ILE . . . -66.75 -8.0 25.12 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.721 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 45.4 t -104.63 -47.46 4.06 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.044 -179.1 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -98.27 -15.71 34.64 Favored Glycine 0 C--N 1.331 0.285 0 C-N-CA 120.466 -0.873 . . . . 0.0 113.546 -175.127 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 69.95 -81.37 0.34 Allowed Glycine 0 N--CA 1.45 -0.426 0 N-CA-C 111.761 -0.536 . . . . 0.0 111.761 -179.284 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -109.04 -25.6 10.61 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-O 121.093 0.473 . . . . 0.0 110.477 -179.259 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 25.8 t -73.4 -11.11 60.36 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.374 -178.797 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -89.66 -20.73 23.31 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.684 -179.653 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 54' ' ' LEU . . . . . 0.439 ' N ' ' HD2' ' B' ' 55' ' ' PRO . 45.2 mt -52.06 -56.61 20.25 Favored Pre-proline 0 CA--C 1.534 0.35 0 CA-C-N 115.923 -0.581 . . . . 0.0 112.015 -176.819 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 55' ' ' PRO . . . . . 0.439 ' HD2' ' N ' ' B' ' 54' ' ' LEU . 26.1 Cg_endo -62.67 -18.92 66.46 Favored 'Trans proline' 0 C--N 1.352 0.754 0 C-N-CA 122.042 1.828 . . . . 0.0 112.501 -176.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 40.2 m -92.82 -36.88 12.61 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.116 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 69.8 t -81.5 -41.01 18.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.43 -173.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 58' ' ' ILE . . . . . 0.437 HG12 ' HG ' ' B' ' 83' ' ' LEU . 74.2 mt -58.92 -37.88 69.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.925 -0.579 . . . . 0.0 109.841 176.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 32.9 t -69.36 -40.53 77.41 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.241 179.741 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 -56.54 -42.29 78.25 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 121.318 0.58 . . . . 0.0 110.438 178.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . 0.478 ' O ' HG22 ' B' ' 65' ' ' VAL . 64.2 mt -82.17 -48.03 18.65 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.599 -178.101 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 62' ' ' TYR . . . . . 0.417 ' O ' HG21 ' B' ' 66' ' ' VAL . 47.8 t80 -55.57 -50.84 69.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.589 -0.278 . . . . 0.0 110.977 -175.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 42.2 m -61.09 -28.84 69.37 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.912 179.801 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -73.33 -43.5 38.12 Favored Glycine 0 N--CA 1.447 -0.568 0 C-N-CA 120.947 -0.645 . . . . 0.0 111.664 178.073 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 65' ' ' VAL . . . . . 0.478 HG22 ' O ' ' B' ' 61' ' ' ILE . 50.8 t -65.68 -45.61 91.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-O 120.919 0.39 . . . . 0.0 111.025 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 66' ' ' VAL . . . . . 0.417 HG21 ' O ' ' B' ' 62' ' ' TYR . 86.5 t -60.68 -39.97 83.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.945 -179.552 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -70.68 -5.27 28.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.782 179.444 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 23.9 t -86.73 -8.63 57.22 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.942 0.401 . . . . 0.0 110.616 179.347 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 84.18 37.4 11.23 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.675 -0.774 . . . . 0.0 111.847 -178.404 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . 0.461 HG13 HG11 ' B' ' 65' ' ' VAL . 14.4 p -87.08 160.63 2.96 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.797 0 N-CA-C 109.959 -0.386 . . . . 0.0 109.959 178.928 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 21.3 t -61.4 135.63 57.76 Favored 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 109.049 -0.723 . . . . 0.0 109.049 172.788 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 3.1 p -49.41 -49.12 46.23 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 113.22 0.822 . . . . 0.0 113.22 -172.41 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -80.92 -26.79 36.47 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 120.82 -0.352 . . . . 0.0 110.878 -176.339 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 74' ' ' GLU . . . . . 0.468 ' OE2' ' HA ' ' B' ' 16' ' ' ALA . 41.0 tt0 -69.37 -28.61 66.35 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 121.022 0.439 . . . . 0.0 110.204 177.892 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -56.59 -40.56 75.46 Favored 'General case' 0 CA--C 1.519 -0.223 0 CA-C-N 115.749 -0.66 . . . . 0.0 111.235 178.291 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 76' ' ' LEU . . . . . 0.4 HD22 ' HB3' ' B' ' 118' ' ' TYR . 2.8 tm? -56.52 -48.29 77.55 Favored 'General case' 0 CA--C 1.518 -0.282 0 CA-C-N 115.912 -0.585 . . . . 0.0 109.868 178.829 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 77' ' ' ILE . . . . . 0.727 ' O ' ' HG ' ' B' ' 81' ' ' LEU . 39.2 mm -61.81 -55.59 23.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.097 -176.43 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 78' ' ' GLN . . . . . 0.44 ' HB2' ' HB2' ' B' ' 26' ' ' ALA . 24.1 tt0 -58.25 -45.73 87.25 Favored 'General case' 0 N--CA 1.464 0.262 0 C-N-CA 120.989 -0.284 . . . . 0.0 111.057 179.285 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -57.85 -40.8 80.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.6 -179.651 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 80' ' ' LEU . . . . . 0.432 ' O ' ' HB3' ' B' ' 83' ' ' LEU . 2.8 mm? -67.93 -49.78 59.89 Favored 'General case' 0 N--CA 1.444 -0.748 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.095 175.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . 0.727 ' HG ' ' O ' ' B' ' 77' ' ' ILE . 73.0 mt -55.84 -42.57 75.98 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.521 0.201 . . . . 0.0 111.311 -176.391 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -64.94 -40.13 94.56 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.994 0.426 . . . . 0.0 110.548 175.291 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 83' ' ' LEU . . . . . 0.437 ' HG ' HG12 ' B' ' 58' ' ' ILE . 3.3 tm? -58.72 -48.37 81.37 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.059 175.297 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 7.8 mp -61.12 -16.12 40.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.834 -179.647 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 40.4 m -93.69 -33.71 13.54 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.983 0.421 . . . . 0.0 111.092 -174.454 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 86' ' ' ALA . . . . . 0.451 ' O ' HG11 ' B' ' 90' ' ' VAL . . . -67.16 -43.22 82.81 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.932 -177.667 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 87' ' ' LEU . . . . . 0.437 ' HB3' HG22 ' B' ' 46' ' ' ILE . 1.1 pp -82.11 -14.12 56.23 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 113.096 0.776 . . . . 0.0 113.096 -171.433 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 88' ' ' VAL . . . . . . . . . . . . . 16.7 m -94.42 -22.46 5.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 C-N-CA 120.278 -0.569 . . . . 0.0 110.725 176.361 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 89' ' ' HIS . . . . . . . . . . . . . 52.5 t60 -70.96 -34.08 71.08 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 176.657 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 90' ' ' VAL . . . . . 0.451 HG11 ' O ' ' B' ' 86' ' ' ALA . 27.0 m -66.47 -26.56 37.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.545 -175.726 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 91' ' ' LEU . . . . . 0.464 ' HA ' ' HB3' ' B' ' 94' ' ' ALA . 3.4 mm? -65.43 -20.03 66.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.642 -0.254 . . . . 0.0 111.059 -179.547 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 35.2 t -58.27 -33.1 69.03 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.91 0.386 . . . . 0.0 110.562 177.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 12.7 t -119.72 15.85 12.72 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.49 0.662 . . . . 0.0 109.753 -179.38 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 94' ' ' ALA . . . . . 0.464 ' HB3' ' HA ' ' B' ' 91' ' ' LEU . . . -104.47 96.96 6.96 Favored 'General case' 0 N--CA 1.446 -0.65 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.68 178.292 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 45.8 t -73.28 91.43 1.7 Allowed 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 176.692 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 96' ' ' ILE . . . . . 0.422 HD13 ' CG1' ' B' ' 99' ' ' VAL . 19.0 tt -74.28 142.87 14.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.921 -179.216 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 97' ' ' GLY . . . . . . . . . . . . . . . -90.5 -112.06 1.55 Allowed Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.878 -0.677 . . . . 0.0 112.249 179.492 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 98' ' ' ASN . . . . . . . . . . . . . 10.1 t30 -122.43 108.3 13.04 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.882 0.372 . . . . 0.0 110.44 -179.399 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 99' ' ' VAL . . . . . 0.422 ' CG1' HD13 ' B' ' 96' ' ' ILE . 5.4 m -89.34 134.75 27.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-O 121.142 0.496 . . . . 0.0 111.353 -178.258 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 100' ' ' SER . . . . . . . . . . . . . 18.7 p -85.38 142.07 29.55 Favored 'General case' 0 N--CA 1.446 -0.654 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.464 179.594 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 2.9 p -84.43 10.39 10.89 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.457 0.646 . . . . 0.0 110.243 176.5 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 60.8 t -114.64 126.81 72.28 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.68 0 CA-C-N 115.345 -0.843 . . . . 0.0 109.827 -177.337 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . 113.91 -9.45 23.29 Favored Glycine 0 N--CA 1.448 -0.516 0 CA-C-N 115.846 -0.615 . . . . 0.0 112.332 178.81 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 104' ' ' VAL . . . . . 0.438 ' O ' HD13 ' B' ' 108' ' ' LEU . 15.9 t -61.69 -31.42 50.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.651 0.262 . . . . 0.0 110.342 179.125 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -51.69 -37.91 52.78 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 115.518 -0.765 . . . . 0.0 110.356 177.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 106' ' ' SER . . . . . 0.451 ' O ' ' HB2' ' B' ' 109' ' ' ASN . 17.4 m -83.45 -35.55 24.88 Favored 'General case' 0 N--CA 1.454 -0.225 0 CA-C-N 115.802 -0.636 . . . . 0.0 111.51 -178.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 37.8 m -62.46 -32.61 73.52 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.102 0.477 . . . . 0.0 110.387 178.48 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 108' ' ' LEU . . . . . 0.561 ' O ' ' HG3' ' B' ' 112' ' ' GLN . 3.0 mt -61.48 -23.31 65.81 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.444 -0.798 . . . . 0.0 111.195 176.746 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 109' ' ' ASN . . . . . 0.451 ' HB2' ' O ' ' B' ' 106' ' ' SER . 0.9 OUTLIER -65.83 -33.9 76.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.152 0.501 . . . . 0.0 110.243 176.066 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 110' ' ' VAL . . . . . . . . . . . . . 29.4 t -80.33 -34.12 14.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.968 -175.483 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 111' ' ' VAL . . . . . 0.545 HG13 ' O ' ' B' ' 108' ' ' LEU . 9.6 p -67.26 -26.3 35.84 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.349 0 CA-C-O 121.247 0.546 . . . . 0.0 110.145 -179.181 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 112' ' ' GLN . . . . . 0.561 ' HG3' ' O ' ' B' ' 108' ' ' LEU . 24.8 mt-30 -74.81 -22.31 58.79 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.813 179.412 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 113' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -79.68 -39.44 31.3 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.204 -0.907 . . . . 0.0 110.705 -175.442 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 4.6 p -80.68 -43.21 20.72 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.12 -0.946 . . . . 0.0 112.517 -170.398 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 115' ' ' VAL . . . . . 0.501 HG12 ' O ' ' B' ' 111' ' ' VAL . 10.4 p -105.92 -17.86 7.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-O 121.018 0.437 . . . . 0.0 111.117 -174.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 116' ' ' GLY . . . . . . . . . . . . . . . -62.29 -21.92 62.6 Favored Glycine 0 C--O 1.228 -0.27 0 C-N-CA 121.091 -0.576 . . . . 0.0 112.621 -179.178 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.51 -3.52 59.03 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 111.687 0.254 . . . . 0.0 111.687 -179.231 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 118' ' ' TYR . . . . . 0.4 ' HB3' HD22 ' B' ' 76' ' ' LEU . 77.3 m-85 -111.98 -28.13 8.14 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.926 0.394 . . . . 0.0 110.874 178.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 119' ' ' VAL . . . . . . . . . . . . . 34.2 m -89.45 -5.23 10.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.83 176.592 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.878 -0.957 . . . . 0.0 111.545 179.403 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.927 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 10.6 m -67.74 136.16 53.82 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.762 0.315 . . . . 0.0 110.815 -178.636 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . 177.71 167.99 36.67 Favored Glycine 0 N--CA 1.447 -0.587 0 C-N-CA 120.947 -0.644 . . . . 0.0 111.987 179.115 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' -2' ' ' ASN . . . . . 0.423 ' OD1' HG22 ' B' ' 1' ' ' VAL . 8.4 p30 -98.64 151.39 20.76 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.592 -0.522 . . . . 0.0 109.592 179.345 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 8.7 t -147.51 96.08 2.63 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 120.987 0.422 . . . . 0.0 110.493 179.631 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 32.6 m -86.6 -31.39 6.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.969 -0.559 . . . . 0.0 109.91 175.238 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 17.6 p -147.68 152.72 38.3 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.508 178.749 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.2 t -99.06 113.37 25.54 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 178.092 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -107.97 -173.06 21.91 Favored Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.307 -178.292 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -93.87 24.16 27.63 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.989 -0.624 . . . . 0.0 112.239 178.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 25.6 p90 -147.0 -175.09 4.68 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.998 -0.371 . . . . 0.0 109.998 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 86.83 -64.01 3.98 Favored Glycine 0 N--CA 1.447 -0.609 0 C-N-CA 120.9 -0.667 . . . . 0.0 112.056 -178.316 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 27.4 t80 -84.13 -53.05 5.79 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-O 120.921 0.391 . . . . 0.0 110.89 -179.397 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -131.72 85.63 0.29 Allowed Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.955 -0.64 . . . . 0.0 112.04 -179.622 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 82.0 p -87.0 -19.72 28.29 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.084 0.468 . . . . 0.0 110.986 -177.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 16.2 m -132.48 150.08 52.22 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.092 -179.029 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -80.07 101.07 8.5 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.22 0.533 . . . . 0.0 111.04 -179.593 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -101.34 -170.07 1.78 Allowed 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.547 -0.751 . . . . 0.0 109.149 173.271 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.37 -84.34 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 120.934 -0.306 . . . . 0.0 111.7 -178.486 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.632 ' HA3' ' H ' ' A' ' 25' ' ' GLY . . . -160.87 -160.88 11.02 Favored Glycine 0 N--CA 1.443 -0.869 0 C-N-CA 119.376 -1.393 . . . . 0.0 113.749 -175.071 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 63.95 64.69 0.74 Allowed 'General case' 0 C--O 1.234 0.257 0 O-C-N 124.303 0.649 . . . . 0.0 111.206 179.21 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 89.54 26.89 23.96 Favored Glycine 0 CA--C 1.52 0.38 0 CA-C-N 115.57 -0.741 . . . . 0.0 113.34 178.686 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.42 HG23 ' O ' ' A' ' 22' ' ' SER . 3.0 m -76.25 -44.11 36.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 117.056 0.428 . . . . 0.0 111.55 179.434 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -136.8 174.42 10.64 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.56 -0.291 . . . . 0.0 110.786 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -93.48 36.99 1.06 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.377 178.257 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.471 ' CA ' ' HA3' ' B' ' 21' ' ' GLY . . . 178.37 -37.92 0.08 OUTLIER Glycine 0 N--CA 1.447 -0.581 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.692 -177.738 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.449 ' HB3' ' O ' ' B' ' 119' ' ' VAL . 37.8 m -109.36 136.18 49.21 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.404 0.145 . . . . 0.0 111.171 -179.215 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.44 ' OH ' ' HB3' ' A' ' 73' ' ' ASN . 0.0 OUTLIER -157.64 131.79 8.22 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.739 177.412 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -89.77 -11.27 42.68 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 121.169 0.509 . . . . 0.0 110.058 174.624 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.632 ' H ' ' HA3' ' A' ' 15' ' ' GLY . . . -67.2 -31.1 76.56 Favored Glycine 0 CA--C 1.507 -0.453 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.841 -176.784 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -69.71 -15.85 63.23 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.26 0.552 . . . . 0.0 110.165 176.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.575 ' CG1' ' HA ' ' B' ' 112' ' ' GLN . 3.9 t -92.18 -43.23 13.84 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.733 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.385 -176.097 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 45.4 m-80 -62.08 -33.89 75.26 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 121.082 0.468 . . . . 0.0 110.362 -179.294 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 35.7 ttp180 -66.99 -12.91 61.21 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-N 115.258 -0.883 . . . . 0.0 112.192 -178.316 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.517 ' HB3' HD11 ' B' ' 108' ' ' LEU . 90.8 mt -69.45 -24.85 63.86 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.007 0.373 . . . . 0.0 112.007 -177.603 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 24.1 p -69.82 -13.35 62.22 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.436 -174.116 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 42.1 t -71.75 150.31 44.57 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.187 -0.46 . . . . 0.0 109.951 178.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.68 -12.0 41.76 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.92 0.39 . . . . 0.0 111.238 -178.664 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -61.1 -56.08 25.08 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.357 178.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.535 ' O ' HG23 ' A' ' 39' ' ' VAL . . . -57.98 -46.95 84.37 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.654 175.052 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -56.42 -19.11 13.46 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.034 -0.53 . . . . 0.0 112.059 -178.697 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 40.0 m -95.44 -23.84 16.95 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.521 -0.309 . . . . 0.0 111.783 179.46 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.543 ' NH1' ' HA ' ' A' ' 61' ' ' ILE . 8.4 mtp180 -91.52 -43.14 9.86 Favored 'General case' 0 CA--C 1.516 -0.335 0 CA-C-O 121.591 0.71 . . . . 0.0 109.483 -179.133 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.535 HG23 ' O ' ' A' ' 35' ' ' ALA . 61.4 t -60.4 -40.41 84.01 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.86 0 CA-C-N 114.434 -1.257 . . . . 0.0 110.42 177.88 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.401 ' HB2' ' HB3' ' B' ' 101' ' ' SER . 78.7 p -76.46 -8.12 56.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.1 -179.21 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 48.1 t -91.78 -8.05 47.84 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.208 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 46.2 m-80 -122.2 -4.66 8.94 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.269 -177.277 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.492 HG13 ' N ' ' A' ' 44' ' ' ALA . 5.0 pt -58.2 -42.56 83.71 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.133 0 CA-C-O 120.839 0.352 . . . . 0.0 111.229 179.349 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.492 ' N ' HG13 ' A' ' 43' ' ' ILE . . . -75.41 -15.7 60.42 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.097 0.475 . . . . 0.0 111.181 -175.652 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -80.47 -52.56 7.5 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.285 -178.8 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 33.4 mt -65.95 -34.24 68.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.441 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.431 ' HB2' HD13 ' B' ' 96' ' ' ILE . . . -61.01 -26.21 67.44 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.201 179.243 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 38.6 m -95.87 -42.2 8.44 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.42 -176.582 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -91.05 -21.09 36.84 Favored Glycine 0 CA--C 1.518 0.276 0 C-N-CA 120.62 -0.8 . . . . 0.0 113.422 -175.359 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 73.68 -77.01 0.95 Allowed Glycine 0 N--CA 1.451 -0.356 0 N-CA-C 111.667 -0.573 . . . . 0.0 111.667 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -120.99 -22.84 6.02 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-O 121.019 0.437 . . . . 0.0 110.536 179.449 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 9.0 t -72.73 -13.81 61.42 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.274 0.559 . . . . 0.0 110.122 -177.64 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -88.31 -17.18 31.21 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.83 -179.263 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.44 ' N ' ' HD2' ' A' ' 55' ' ' PRO . 43.7 mt -54.92 -57.55 18.89 Favored Pre-proline 0 C--N 1.327 -0.397 0 CA-C-N 116.027 -0.533 . . . . 0.0 112.097 -175.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.44 ' HD2' ' N ' ' A' ' 54' ' ' LEU . 17.0 Cg_endo -59.04 -24.29 72.8 Favored 'Trans proline' 0 C--N 1.35 0.628 0 C-N-CA 122.21 1.94 . . . . 0.0 112.519 -177.193 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 24.9 m -88.78 -39.8 13.66 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.984 0.421 . . . . 0.0 110.915 -179.456 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 59.2 t -76.44 -37.8 31.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 121.098 0.475 . . . . 0.0 110.144 -175.526 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.423 HG12 HD22 ' A' ' 83' ' ' LEU . 64.9 mt -57.6 -43.39 83.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.925 174.829 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 22.6 t -68.02 -38.17 82.26 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.2 -0.454 . . . . 0.0 109.969 -178.582 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -59.81 -49.17 78.76 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.813 179.191 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.543 ' HA ' ' NH1' ' A' ' 38' ' ' ARG . 50.6 mt -74.78 -47.26 38.69 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.175 -178.17 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.439 ' O ' HG21 ' A' ' 66' ' ' VAL . 43.4 t80 -53.5 -53.6 49.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.982 -178.703 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 42.7 t -59.87 -32.13 70.42 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.971 0.415 . . . . 0.0 110.75 -179.695 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.522 ' HA3' ' NH1' ' A' ' 38' ' ' ARG . . . -66.52 -40.22 94.2 Favored Glycine 0 C--N 1.329 0.191 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.004 -179.398 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.402 HG23 ' O ' ' A' ' 61' ' ' ILE . 18.6 t -78.4 -42.4 26.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-O 120.819 0.343 . . . . 0.0 111.044 -178.841 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.439 HG21 ' O ' ' A' ' 62' ' ' TYR . 94.5 t -60.1 -37.1 71.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.046 -179.161 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -70.88 -5.72 32.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.51 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 11.9 t -90.0 -11.96 40.04 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.6 -0.273 . . . . 0.0 110.537 179.237 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 96.61 30.28 7.74 Favored Glycine 0 C--N 1.331 0.265 0 C-N-CA 120.624 -0.798 . . . . 0.0 112.847 178.141 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 11.6 p -91.13 159.25 2.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 N-CA-C 110.221 -0.289 . . . . 0.0 110.221 178.182 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 27.1 t -66.77 147.16 53.62 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 110.105 -0.332 . . . . 0.0 110.105 175.302 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 6.4 p -58.62 -44.69 90.07 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 112.43 0.53 . . . . 0.0 112.43 -173.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.44 ' HB3' ' OH ' ' A' ' 23' ' ' TYR . 0.2 OUTLIER -73.14 -35.92 66.58 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.881 -0.328 . . . . 0.0 110.428 -176.231 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -70.52 -34.1 71.92 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 176.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -58.94 -40.2 83.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.635 175.589 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.413 ' O ' HD21 ' A' ' 80' ' ' LEU . 2.7 tm? -56.75 -54.23 48.6 Favored 'General case' 0 CA--C 1.517 -0.298 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 176.202 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.752 ' O ' ' HG ' ' A' ' 81' ' ' LEU . 39.5 mm -58.49 -56.97 13.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 115.461 -0.79 . . . . 0.0 110.714 -178.738 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 24.6 tp60 -51.94 -48.9 64.06 Favored 'General case' 0 N--CA 1.467 0.391 0 O-C-N 123.249 0.343 . . . . 0.0 111.366 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.92 -40.13 96.67 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.061 -178.755 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.49 ' O ' HD23 ' A' ' 84' ' ' LEU . 3.6 mm? -67.93 -37.59 81.83 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.971 178.531 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.752 ' HG ' ' O ' ' A' ' 77' ' ' ILE . 59.5 mt -63.52 -46.19 87.16 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.845 0.355 . . . . 0.0 110.357 178.779 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -61.15 -42.71 99.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.569 176.315 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.527 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 57.5 tp -59.2 -46.41 88.51 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.95 177.535 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.497 HD22 HD22 ' B' ' 84' ' ' LEU . 3.7 mm? -69.4 -1.42 8.33 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.719 -178.023 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 20.3 m -102.78 -27.93 12.39 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.019 0.438 . . . . 0.0 110.403 176.757 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -75.48 -46.42 32.54 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.16 0.505 . . . . 0.0 110.672 -176.691 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.527 ' HG ' ' O ' ' A' ' 83' ' ' LEU . 1.0 OUTLIER -78.7 -13.97 59.54 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.585 -0.734 . . . . 0.0 112.849 -172.319 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.405 HG12 HD13 ' A' ' 87' ' ' LEU . 17.4 m -94.78 -27.47 4.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 C-N-CA 120.547 -0.461 . . . . 0.0 110.795 177.049 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 70.0 t60 -65.83 -34.46 78.2 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 178.737 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 33.1 m -65.16 -26.82 40.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.111 -175.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.421 ' HA ' ' HB3' ' A' ' 94' ' ' ALA . 3.9 mm? -67.05 -21.25 65.91 Favored 'General case' 0 N--CA 1.462 0.147 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.273 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 34.9 t -71.03 -17.8 62.6 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.826 0.346 . . . . 0.0 111.049 -179.792 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.494 ' HB2' HG12 ' B' ' 99' ' ' VAL . 73.5 m -119.33 -9.88 9.82 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.624 0.725 . . . . 0.0 110.454 178.496 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . 0.421 ' HB3' ' HA ' ' A' ' 91' ' ' LEU . . . -88.46 104.12 16.51 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.114 -0.948 . . . . 0.0 111.27 -179.666 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 12.2 t -75.16 87.99 2.45 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.457 -0.571 . . . . 0.0 109.457 176.188 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.456 HD12 ' HB3' ' B' ' 47' ' ' ALA . 20.8 tt -70.41 145.18 13.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.339 -177.864 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -94.12 -99.06 1.6 Allowed Glycine 0 N--CA 1.446 -0.656 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.204 179.301 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -133.12 111.6 11.07 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.844 0.354 . . . . 0.0 111.077 -177.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 13.1 m -93.18 153.66 3.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.438 177.129 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 48.5 m -129.75 147.96 51.58 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.644 -178.475 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' SER . . . . . 0.48 ' HB3' ' HB2' ' B' ' 40' ' ' SER . 21.3 m -74.63 -6.29 47.84 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.737 -177.06 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 60.7 t -88.11 108.79 18.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.791 -176.409 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 124.44 -11.75 8.0 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.852 -0.689 . . . . 0.0 112.888 176.602 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 46.9 t -59.83 -29.28 42.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.431 0.158 . . . . 0.0 111.185 -178.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -48.8 -46.48 41.76 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-O 121.404 0.621 . . . . 0.0 110.507 178.464 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 15.5 m -70.42 -25.33 63.17 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.452 -0.795 . . . . 0.0 111.523 -177.131 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 20.3 m -72.56 -35.71 68.05 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.874 0.369 . . . . 0.0 110.172 -178.14 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.577 ' O ' HG12 ' A' ' 111' ' ' VAL . 4.4 mm? -58.53 -37.82 76.45 Favored 'General case' 0 C--O 1.224 -0.28 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.371 175.529 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 16.1 m-80 -67.34 -21.46 65.64 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.68 -177.365 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 26.2 t -91.99 -37.56 9.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.187 -178.03 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.577 HG12 ' O ' ' A' ' 108' ' ' LEU . 7.9 p -61.04 -28.93 44.69 Favored 'Isoleucine or valine' 0 C--O 1.233 0.216 0 CA-C-O 121.256 0.551 . . . . 0.0 110.168 -179.827 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . 0.544 ' HG3' ' O ' ' A' ' 108' ' ' LEU . 24.1 mt-30 -64.47 -25.44 68.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.699 179.237 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -81.3 -38.65 26.45 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.419 -0.809 . . . . 0.0 110.263 -178.042 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' SER . . . . . 0.42 ' OG ' ' HD3' ' A' ' 55' ' ' PRO . 6.6 m -73.64 -43.38 59.68 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.172 -0.922 . . . . 0.0 112.107 -172.49 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . 0.432 HG11 ' O ' ' A' ' 111' ' ' VAL . 10.8 p -117.52 -19.09 6.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 N-CA-C 112.114 0.413 . . . . 0.0 112.114 -172.166 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -61.64 -22.3 61.6 Favored Glycine 0 C--O 1.23 -0.152 0 C-N-CA 120.93 -0.653 . . . . 0.0 112.692 -177.523 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.34 4.41 52.46 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.547 0.213 . . . . 0.0 111.219 -179.53 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 90.4 m-85 -113.0 -26.54 8.45 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.896 0.379 . . . . 0.0 110.229 177.74 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 35.2 m -89.14 -0.52 8.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.67 176.017 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.488 0 CA-C-N 115.746 -0.661 . . . . 0.0 112.018 179.734 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 N-CA-C 112.153 -0.379 . . . . 0.0 112.153 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' -4' ' ' SER . . . . . . . . . . . . . 60.8 p -150.46 174.07 13.33 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 110.136 -0.32 . . . . 0.0 110.136 178.73 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' -3' ' ' GLY . . . . . . . . . . . . . . . 117.92 -133.11 10.24 Favored Glycine 0 N--CA 1.445 -0.744 0 C-N-CA 120.686 -0.769 . . . . 0.0 111.838 -179.32 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' -2' ' ' ASN . . . . . . . . . . . . . 10.0 p30 -146.09 154.38 41.77 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 110.329 -0.249 . . . . 0.0 110.329 179.444 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' -1' ' ' SER . . . . . . . . . . . . . 22.8 t -150.24 168.9 22.66 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.003 -0.74 . . . . 0.0 109.003 176.283 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 1' ' ' VAL . . . . . 0.423 HG22 ' OD1' ' A' ' -2' ' ' ASN . 5.7 m -140.69 -43.11 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-O 120.874 0.369 . . . . 0.0 111.395 -176.327 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 12.9 p -126.29 -176.11 3.56 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.853 0.358 . . . . 0.0 111.163 -175.168 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 23.3 t -142.03 131.79 24.21 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 179.254 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -166.36 -165.8 24.34 Favored Glycine 0 N--CA 1.445 -0.749 0 C-N-CA 121.196 -0.526 . . . . 0.0 111.891 -179.089 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -69.18 -65.63 2.54 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 121.102 -0.57 . . . . 0.0 112.007 -179.578 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 6' ' ' TYR . . . . . . . . . . . . . 52.1 p90 -67.16 129.93 41.49 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-O 121.262 0.553 . . . . 0.0 109.927 177.344 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . 141.51 -44.25 1.03 Allowed Glycine 0 N--CA 1.446 -0.644 0 N-CA-C 110.762 -0.935 . . . . 0.0 110.762 -175.573 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 60.4 m-85 -88.71 -62.94 1.38 Allowed 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 108.477 -0.935 . . . . 0.0 108.477 170.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -130.13 91.17 0.3 Allowed Glycine 0 N--CA 1.44 -1.077 0 N-CA-C 110.323 -1.111 . . . . 0.0 110.323 175.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 72.1 p -59.86 -41.15 90.87 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.379 0.609 . . . . 0.0 110.608 -176.822 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 19.6 m -103.2 141.71 35.41 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.117 -0.947 . . . . 0.0 109.108 172.546 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -67.45 111.31 4.02 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.912 0.387 . . . . 0.0 110.876 -179.412 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -102.4 -166.94 1.34 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.101 -177.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.88 -20.95 66.41 Favored 'General case' 0 N--CA 1.461 0.12 0 CA-C-N 116.186 -0.461 . . . . 0.0 112.071 -177.205 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 15' ' ' GLY . . . . . 0.547 ' HA3' ' H ' ' B' ' 25' ' ' GLY . . . 127.39 -157.61 20.88 Favored Glycine 0 N--CA 1.445 -0.733 0 C-N-CA 120.181 -1.009 . . . . 0.0 112.802 176.673 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . 64.47 90.92 0.08 Allowed 'General case' 0 N--CA 1.463 0.206 0 O-C-N 124.263 0.625 . . . . 0.0 111.149 -178.623 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 59.99 49.92 73.35 Favored Glycine 0 CA--C 1.518 0.26 0 CA-C-N 115.79 -0.641 . . . . 0.0 112.996 -178.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . 0.408 HG22 ' O ' ' B' ' 22' ' ' SER . 2.3 m -96.88 -33.46 4.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 N-CA-C 111.972 0.36 . . . . 0.0 111.972 179.777 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -138.59 -170.6 2.87 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.495 0.188 . . . . 0.0 110.73 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -99.33 -7.1 26.76 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.67 0.271 . . . . 0.0 111.276 179.655 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . 0.471 ' HA3' ' CA ' ' A' ' 21' ' ' GLY . . . -157.77 25.26 0.43 Allowed Glycine 0 CA--C 1.509 -0.33 0 C-N-CA 120.568 -0.825 . . . . 0.0 112.105 176.363 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 22' ' ' SER . . . . . 0.408 ' O ' HG22 ' B' ' 18' ' ' VAL . 26.5 m -151.54 122.93 7.82 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.758 -0.221 . . . . 0.0 110.679 179.724 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 23' ' ' TYR . . . . . 0.435 ' CE1' ' HA ' ' B' ' 74' ' ' GLU . 0.2 OUTLIER -151.93 117.88 5.49 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.025 177.475 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -74.5 -27.11 60.41 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-O 121.226 0.536 . . . . 0.0 110.621 177.316 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . 0.547 ' H ' ' HA3' ' B' ' 15' ' ' GLY . . . -62.75 -28.88 72.38 Favored Glycine 0 N--CA 1.452 -0.287 0 CA-C-N 115.832 -0.622 . . . . 0.0 112.24 -179.11 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -76.05 -8.31 56.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.438 0.637 . . . . 0.0 110.346 178.163 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . 0.47 ' CG1' ' HA ' ' A' ' 112' ' ' GLN . 3.5 t -97.54 -42.86 11.92 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.076 178.887 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 57.9 m-80 -60.93 -35.24 76.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.824 0.345 . . . . 0.0 110.843 -179.169 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 25.2 ttp180 -66.4 -14.67 62.47 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 116.04 -0.527 . . . . 0.0 112.165 -177.652 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . 0.528 ' HB3' HD11 ' A' ' 108' ' ' LEU . 91.5 mt -64.71 -25.5 67.97 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.917 -178.388 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 43.9 p -75.68 4.79 7.13 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.198 -177.442 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 47.0 t -94.65 166.11 12.18 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.365 178.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.32 -21.88 66.76 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.694 178.664 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -49.72 -58.89 4.44 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.784 179.046 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 35' ' ' ALA . . . . . 0.639 ' O ' HG22 ' B' ' 39' ' ' VAL . . . -65.69 -58.79 4.86 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.342 -0.845 . . . . 0.0 110.756 179.684 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -47.97 -36.01 11.82 Favored 'General case' 0 N--CA 1.464 0.268 0 N-CA-C 112.568 0.581 . . . . 0.0 112.568 -173.237 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 50.7 m -70.74 -30.41 66.93 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 112.359 0.504 . . . . 0.0 112.359 -178.465 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -93.02 -40.62 10.43 Favored 'General case' 0 CA--C 1.513 -0.478 0 CA-C-O 121.694 0.759 . . . . 0.0 109.7 -176.222 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . 0.639 HG22 ' O ' ' B' ' 35' ' ' ALA . 40.2 t -58.36 -45.38 89.56 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.919 0 CA-C-N 114.569 -1.196 . . . . 0.0 110.705 178.368 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 40' ' ' SER . . . . . 0.48 ' HB2' ' HB3' ' A' ' 101' ' ' SER . 89.0 p -77.72 -5.98 52.43 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.476 -177.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 34.3 t -90.1 -19.48 24.27 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.173 0.511 . . . . 0.0 109.983 179.69 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 38.0 m-80 -113.77 -0.3 14.28 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.093 -174.175 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 43' ' ' ILE . . . . . 0.46 HG21 ' O ' ' B' ' 39' ' ' VAL . 3.7 pt -59.76 -41.93 87.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.02 178.261 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . 0.447 ' N ' HG13 ' B' ' 43' ' ' ILE . . . -76.91 -11.63 59.84 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.865 0.364 . . . . 0.0 111.014 -176.249 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -83.26 -52.81 6.25 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.091 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 41.7 mt -64.98 -36.44 77.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.4 -179.495 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . 0.456 ' HB3' HD12 ' A' ' 96' ' ' ILE . . . -62.51 -24.93 67.75 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.49 -179.784 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 37.0 m -100.61 -9.96 21.42 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.67 -175.589 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -120.6 -29.18 1.61 Allowed Glycine 0 N--CA 1.453 -0.199 0 C-N-CA 120.339 -0.934 . . . . 0.0 113.08 -176.461 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 81.71 -78.33 1.96 Allowed Glycine 0 N--CA 1.447 -0.608 0 N-CA-C 111.41 -0.676 . . . . 0.0 111.41 -179.064 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -124.21 -20.09 5.37 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 121.099 0.476 . . . . 0.0 110.879 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 23.0 t -69.68 -18.89 63.59 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.476 -178.79 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . 0.408 ' O ' HG22 ' B' ' 57' ' ' VAL . . . -88.85 -15.7 33.84 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.94 -177.522 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 54' ' ' LEU . . . . . 0.421 ' N ' ' HD2' ' B' ' 55' ' ' PRO . 43.4 mt -54.76 -58.18 15.63 Favored Pre-proline 0 CA--C 1.536 0.414 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.928 -176.004 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 55' ' ' PRO . . . . . 0.425 ' HD3' ' OG ' ' B' ' 114' ' ' SER . 19.6 Cg_endo -60.16 -25.96 81.29 Favored 'Trans proline' 0 C--N 1.354 0.857 0 C-N-CA 122.191 1.928 . . . . 0.0 112.304 -177.679 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 22.4 m -82.2 -42.09 19.45 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.914 -179.348 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . 0.408 HG22 ' O ' ' B' ' 53' ' ' ALA . 79.1 t -77.19 -38.55 27.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.257 -173.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 58' ' ' ILE . . . . . 0.466 HG12 HD22 ' B' ' 83' ' ' LEU . 67.7 mt -58.65 -41.31 81.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.053 175.113 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 15.6 t -66.59 -35.6 80.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.255 -178.205 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -65.72 -49.95 66.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.767 179.281 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . 0.47 ' O ' HG22 ' B' ' 65' ' ' VAL . 62.6 mt -73.48 -47.28 46.09 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.707 -176.281 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 62' ' ' TYR . . . . . 0.53 ' O ' HG22 ' B' ' 66' ' ' VAL . 36.8 t80 -54.62 -54.69 38.21 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.609 -0.269 . . . . 0.0 111.26 -177.565 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 5.2 t -63.66 -29.95 71.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.049 0.452 . . . . 0.0 110.094 -177.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -66.65 -41.81 93.71 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.939 -0.648 . . . . 0.0 111.791 178.182 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 65' ' ' VAL . . . . . 0.47 HG22 ' O ' ' B' ' 61' ' ' ILE . 45.2 t -70.35 -41.42 78.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-O 120.776 0.322 . . . . 0.0 110.751 178.805 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 66' ' ' VAL . . . . . 0.53 HG22 ' O ' ' B' ' 62' ' ' TYR . 89.4 t -60.5 -37.36 74.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.799 -179.806 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -66.92 -12.64 60.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.124 -0.489 . . . . 0.0 112.039 179.346 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 48.4 t -78.92 -17.33 55.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.094 0.473 . . . . 0.0 110.346 178.301 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 92.71 38.25 5.57 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.627 -0.797 . . . . 0.0 111.699 -177.673 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . 0.403 HG11 HG11 ' B' ' 65' ' ' VAL . 13.7 p -91.23 163.39 2.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 N-CA-C 110.036 -0.357 . . . . 0.0 110.036 178.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 38.1 t -61.69 136.74 58.12 Favored 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 109.079 -0.712 . . . . 0.0 109.079 172.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 19.3 m -55.5 -41.85 73.64 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 112.59 0.589 . . . . 0.0 112.59 -173.068 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -85.1 -23.38 28.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.936 0.398 . . . . 0.0 110.385 -176.852 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 74' ' ' GLU . . . . . 0.435 ' HA ' ' CE1' ' B' ' 23' ' ' TYR . 34.3 tt0 -72.5 -30.56 64.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.128 0.49 . . . . 0.0 109.927 176.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.94 -32.52 70.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.471 -0.786 . . . . 0.0 111.264 178.752 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 76' ' ' LEU . . . . . 0.45 HD23 ' HB3' ' B' ' 118' ' ' TYR . 2.8 tm? -57.42 -53.78 54.31 Favored 'General case' 0 CA--C 1.517 -0.298 0 N-CA-C 109.684 -0.487 . . . . 0.0 109.684 177.54 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 77' ' ' ILE . . . . . 0.744 ' O ' ' HG ' ' B' ' 81' ' ' LEU . 37.7 mm -62.15 -54.47 33.96 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.905 -178.215 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 78' ' ' GLN . . . . . . . . . . . . . 33.6 tp60 -52.5 -49.71 64.22 Favored 'General case' 0 C--N 1.33 -0.259 0 O-C-N 123.193 0.308 . . . . 0.0 111.1 179.401 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.65 -40.15 94.94 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.917 -178.517 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 80' ' ' LEU . . . . . 0.676 ' O ' HD23 ' B' ' 84' ' ' LEU . 2.0 mm? -62.4 -45.64 92.23 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.65 177.413 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . 0.744 ' HG ' ' O ' ' B' ' 77' ' ' ILE . 55.4 mt -62.43 -39.31 92.89 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.82 0.343 . . . . 0.0 110.767 -178.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -62.69 -44.62 95.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.936 0.398 . . . . 0.0 110.26 174.753 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 83' ' ' LEU . . . . . 0.474 ' O ' ' HG ' ' B' ' 87' ' ' LEU . 43.9 tp -61.04 -44.69 97.02 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.21 177.298 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 84' ' ' LEU . . . . . 0.676 HD23 ' O ' ' B' ' 80' ' ' LEU . 3.9 mm? -60.27 -13.88 15.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.617 -0.72 . . . . 0.0 111.752 -178.8 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 85' ' ' SER . . . . . 0.423 ' OG ' HD13 ' A' ' 108' ' ' LEU . 20.4 m -98.52 -27.17 14.16 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.786 0.327 . . . . 0.0 111.075 -177.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -73.19 -44.03 60.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.318 0.58 . . . . 0.0 110.625 -176.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 87' ' ' LEU . . . . . 0.474 ' HG ' ' O ' ' B' ' 83' ' ' LEU . 1.0 OUTLIER -80.6 -14.25 58.35 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.409 -0.814 . . . . 0.0 112.689 -172.754 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 88' ' ' VAL . . . . . 0.402 ' N ' HD13 ' B' ' 87' ' ' LEU . 16.0 m -93.46 -26.3 4.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 C-N-CA 120.554 -0.458 . . . . 0.0 110.895 176.86 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 89' ' ' HIS . . . . . . . . . . . . . 46.8 t60 -68.07 -34.69 76.89 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.069 0.461 . . . . 0.0 109.891 179.34 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 90' ' ' VAL . . . . . . . . . . . . . 33.5 m -65.48 -25.96 38.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.44 -176.438 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 91' ' ' LEU . . . . . 0.423 ' HA ' ' HB3' ' B' ' 94' ' ' ALA . 3.8 mm? -65.95 -24.51 66.82 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.622 -0.263 . . . . 0.0 111.232 -179.269 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 11.0 t -62.63 -30.54 71.43 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.086 0.469 . . . . 0.0 110.365 179.804 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 20.4 m -112.63 9.49 19.34 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.294 0.568 . . . . 0.0 110.394 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 94' ' ' ALA . . . . . 0.423 ' HB3' ' HA ' ' B' ' 91' ' ' LEU . . . -107.15 93.58 4.63 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.592 179.822 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 16.8 m -70.01 84.04 0.51 Allowed 'General case' 0 N--CA 1.429 -1.505 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.502 177.322 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 96' ' ' ILE . . . . . 0.431 HD13 ' HB2' ' A' ' 47' ' ' ALA . 20.1 tt -67.91 145.24 13.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.496 -0.775 . . . . 0.0 111.462 -176.749 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 97' ' ' GLY . . . . . . . . . . . . . . . -97.31 -108.64 2.62 Favored Glycine 0 N--CA 1.444 -0.799 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.15 178.184 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 98' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -115.51 115.19 26.08 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.678 0.275 . . . . 0.0 110.421 -176.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 99' ' ' VAL . . . . . 0.494 HG12 ' HB2' ' A' ' 93' ' ' SER . 3.0 m -103.65 115.37 45.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-O 121.139 0.495 . . . . 0.0 110.648 176.313 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 100' ' ' SER . . . . . . . . . . . . . 19.7 m -84.69 149.42 25.81 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.96 178.283 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 101' ' ' SER . . . . . 0.401 ' HB3' ' HB2' ' A' ' 40' ' ' SER . 23.0 m -79.37 21.85 0.46 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.935 0.397 . . . . 0.0 111.336 -178.498 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 48.7 t -117.22 119.93 63.42 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.465 0 CA-C-O 120.973 0.416 . . . . 0.0 110.614 -176.136 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . 119.52 -12.61 11.07 Favored Glycine 0 N--CA 1.446 -0.666 0 CA-C-N 115.79 -0.641 . . . . 0.0 112.074 179.122 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 104' ' ' VAL . . . . . . . . . . . . . 26.4 t -60.44 -30.39 46.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 120.585 0.231 . . . . 0.0 110.716 -179.412 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -50.26 -42.07 51.44 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.704 179.534 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 8.8 m -72.07 -28.01 63.05 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 115.476 -0.784 . . . . 0.0 111.097 -178.561 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 18.1 m -73.33 -33.63 65.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.114 -176.309 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 108' ' ' LEU . . . . . 0.61 ' O ' ' HG3' ' B' ' 112' ' ' GLN . 4.2 mm? -58.84 -31.06 68.17 Favored 'General case' 0 C--O 1.223 -0.312 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.208 175.062 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 109' ' ' ASN . . . . . 0.475 HD21 ' N ' ' B' ' 109' ' ' ASN . 0.8 OUTLIER -72.49 -23.36 61.02 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.602 -178.474 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 110' ' ' VAL . . . . . . . . . . . . . 17.6 t -86.28 -38.73 12.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.868 -177.032 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 111' ' ' VAL . . . . . 0.529 HG13 ' O ' ' B' ' 108' ' ' LEU . 10.1 p -61.78 -33.27 56.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 121.052 0.453 . . . . 0.0 110.096 179.636 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 112' ' ' GLN . . . . . 0.61 ' HG3' ' O ' ' B' ' 108' ' ' LEU . 23.3 mt-30 -64.33 -30.08 71.14 Favored 'General case' 0 CA--C 1.517 -0.303 0 CA-C-O 121.538 0.685 . . . . 0.0 110.239 179.17 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 113' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -79.18 -33.62 43.81 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 114.898 -1.046 . . . . 0.0 110.323 -177.329 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 114' ' ' SER . . . . . 0.425 ' OG ' ' HD3' ' B' ' 55' ' ' PRO . 11.5 m -79.97 -42.42 23.98 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 114.833 -1.076 . . . . 0.0 111.828 -171.641 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 115' ' ' VAL . . . . . 0.465 HG11 ' O ' ' B' ' 111' ' ' VAL . 14.5 p -118.82 -15.17 8.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 N-CA-C 112.109 0.411 . . . . 0.0 112.109 -172.007 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 116' ' ' GLY . . . . . . . . . . . . . . . -64.27 -18.01 62.36 Favored Glycine 0 C--O 1.229 -0.183 0 C-N-CA 120.846 -0.692 . . . . 0.0 113.355 -175.704 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -94.12 -3.81 50.39 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.762 0.315 . . . . 0.0 111.135 178.698 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 118' ' ' TYR . . . . . 0.45 ' HB3' HD23 ' B' ' 76' ' ' LEU . 96.7 m-85 -104.58 -24.32 13.0 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.981 0.42 . . . . 0.0 110.344 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 119' ' ' VAL . . . . . 0.449 ' O ' ' HB3' ' A' ' 22' ' ' SER . 27.7 m -85.32 -6.82 10.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.55 173.862 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.421 -1.211 . . . . 0.0 111.671 178.953 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.672 0 N-CA-C 111.783 -0.527 . . . . 0.0 111.783 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 32.8 t -164.38 -51.27 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 177.742 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . 127.86 34.05 0.57 Allowed Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.07 -179.506 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' -2' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -57.74 112.29 1.41 Allowed 'General case' 0 C--O 1.234 0.286 0 CA-C-O 121.024 0.44 . . . . 0.0 109.911 179.008 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' -1' ' ' SER . . . . . 0.429 ' CA ' ' HA2' ' B' ' 4' ' ' GLY . 3.4 p -130.67 119.45 22.43 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 121.17 0.51 . . . . 0.0 111.998 -173.383 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 60.1 t -128.53 113.08 28.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.204 -0.907 . . . . 0.0 108.61 174.251 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 6.9 t -76.11 -19.36 58.6 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.179 0.514 . . . . 0.0 110.824 -174.703 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.432 ' O ' ' HB2' ' B' ' -2' ' ' ASN . 43.7 t -83.71 74.07 10.2 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-O 121.062 0.458 . . . . 0.0 110.248 176.443 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -174.99 -141.9 3.86 Favored Glycine 0 N--CA 1.448 -0.528 0 C-N-CA 121.046 -0.597 . . . . 0.0 111.79 179.465 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 73.1 -89.8 0.59 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.667 177.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.404 ' HB2' HG21 ' A' ' 10' ' ' THR . 36.9 p90 -61.28 -19.89 62.25 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 122.69 0.396 . . . . 0.0 111.494 -178.337 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -66.24 -25.74 72.42 Favored Glycine 0 CA--C 1.521 0.459 0 CA-C-N 116.258 -0.428 . . . . 0.0 113.53 -176.691 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -73.35 -26.32 60.98 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 121.477 0.656 . . . . 0.0 110.459 176.799 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 134.07 116.63 1.69 Allowed Glycine 0 N--CA 1.439 -1.122 0 N-CA-C 110.064 -1.214 . . . . 0.0 110.064 -172.224 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.404 HG21 ' HB2' ' A' ' 6' ' ' TYR . 32.5 p -77.11 -1.98 31.93 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.124 0.488 . . . . 0.0 111.337 -172.896 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 51.1 m -141.2 115.92 9.67 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.318 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -152.86 130.83 11.78 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.602 179.369 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -75.3 63.95 1.44 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.999 0.428 . . . . 0.0 111.891 -175.678 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -166.37 174.93 8.58 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.184 178.108 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.612 ' HA3' ' N ' ' A' ' 25' ' ' GLY . . . -144.46 -162.94 9.73 Favored Glycine 0 N--CA 1.445 -0.707 0 C-N-CA 119.725 -1.226 . . . . 0.0 113.447 -177.182 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.425 ' HA ' ' OE1' ' A' ' 74' ' ' GLU . . . 59.79 67.5 0.87 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.171 0.51 . . . . 0.0 111.754 175.369 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 82.85 20.67 60.87 Favored Glycine 0 CA--C 1.523 0.553 0 CA-C-N 115.68 -0.691 . . . . 0.0 114.132 177.182 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -61.86 -51.08 76.94 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.514 0 CA-C-N 117.285 0.543 . . . . 0.0 111.286 177.131 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -136.21 134.9 38.64 Favored 'General case' 0 C--N 1.315 -0.933 0 N-CA-C 108.158 -1.052 . . . . 0.0 108.158 176.811 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -58.77 -15.79 13.82 Favored 'General case' 0 C--N 1.317 -0.82 0 N-CA-C 112.633 0.605 . . . . 0.0 112.633 -174.626 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -123.77 11.77 8.32 Favored Glycine 0 CA--C 1.522 0.469 0 C-N-CA 120.468 -0.872 . . . . 0.0 113.156 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.8 m -162.03 133.31 5.23 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 117.005 0.402 . . . . 0.0 111.29 -178.648 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.505 ' CE1' ' HA ' ' A' ' 74' ' ' GLU . 0.0 OUTLIER -152.77 132.53 13.18 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.03 -177.385 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -96.19 -13.07 23.78 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.661 179.225 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.612 ' N ' ' HA3' ' A' ' 15' ' ' GLY . . . -64.46 -33.6 87.68 Favored Glycine 0 CA--C 1.508 -0.364 0 C-N-CA 120.703 -0.761 . . . . 0.0 111.52 -179.155 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.476 ' HB3' ' HB2' ' A' ' 78' ' ' GLN . . . -66.29 -13.84 61.08 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.177 -0.511 . . . . 0.0 110.79 175.113 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.505 HG22 ' CD1' ' A' ' 81' ' ' LEU . 2.7 t -100.01 -43.84 11.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.941 -177.165 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 54.2 m-80 -62.23 -38.95 91.17 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 120.724 -0.391 . . . . 0.0 111.047 -176.783 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.406 ' HD3' ' OE1' ' A' ' 78' ' ' GLN . 13.6 ptm180 -69.97 -3.51 16.47 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.645 -176.639 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.527 ' HB3' HD11 ' B' ' 108' ' ' LEU . 88.3 mt -68.85 -27.64 66.0 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.998 0.428 . . . . 0.0 110.604 178.371 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 32.6 p -75.46 -3.44 33.91 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.971 -179.731 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 41.7 t -86.31 168.49 13.83 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.624 178.528 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -68.19 -10.32 53.47 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.802 179.757 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -56.73 -65.0 0.69 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.396 178.284 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.1 -50.71 69.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.714 -0.676 . . . . 0.0 111.363 -179.181 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.07 -8.94 3.75 Favored 'General case' 0 N--CA 1.466 0.332 0 N-CA-C 112.417 0.525 . . . . 0.0 112.417 -176.095 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 32.4 t -92.6 -31.24 15.24 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 120.81 0.338 . . . . 0.0 110.986 175.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 58.7 mtp85 -97.98 -41.86 7.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.286 0.565 . . . . 0.0 110.184 -173.395 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 67.6 t -58.81 -49.86 81.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-N 115.092 -0.958 . . . . 0.0 110.58 177.756 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.7 m -69.68 -6.46 31.77 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.492 -0.776 . . . . 0.0 111.993 -177.05 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 25.1 t -94.69 -17.32 22.34 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.172 0.511 . . . . 0.0 110.141 179.509 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 44.8 m-80 -113.23 0.63 14.94 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.196 -175.371 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 3.1 pt -59.46 -41.62 85.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.098 177.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -77.71 -12.46 59.97 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.922 0.391 . . . . 0.0 110.998 -177.682 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -80.94 -53.86 6.08 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.213 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 48.4 mt -64.98 -35.45 75.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.52 -179.399 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.43 ' HB3' HD12 ' B' ' 96' ' ' ILE . . . -59.53 -28.28 66.95 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.268 179.632 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 34.1 m -89.62 -32.27 17.17 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.67 -0.696 . . . . 0.0 111.64 -175.578 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -98.93 -56.99 0.99 Allowed Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.548 -0.834 . . . . 0.0 112.463 -178.352 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 105.47 -83.4 0.37 Allowed Glycine 0 N--CA 1.442 -0.914 0 N-CA-C 110.58 -1.008 . . . . 0.0 110.58 -175.05 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -110.21 -24.2 10.82 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-O 121.227 0.537 . . . . 0.0 110.035 177.694 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 16.5 p -71.58 -15.2 62.26 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.858 -179.472 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -91.52 -16.4 27.28 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.761 -178.759 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.415 HD12 HG12 ' B' ' 88' ' ' VAL . 57.4 mt -56.94 -58.7 15.92 Favored Pre-proline 0 C--N 1.327 -0.401 0 CA-C-N 116.088 -0.506 . . . . 0.0 112.033 -175.155 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.468 ' HD3' ' OG ' ' A' ' 114' ' ' SER . 19.1 Cg_endo -59.65 -25.1 77.92 Favored 'Trans proline' 0 C--N 1.353 0.8 0 C-N-CA 121.998 1.798 . . . . 0.0 112.126 -176.565 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 12.4 m -83.77 -42.11 16.86 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.854 -179.418 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 75.9 t -77.44 -37.48 25.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.151 -174.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.488 HG12 HD23 ' A' ' 83' ' ' LEU . 71.2 mt -59.26 -38.97 77.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.122 175.234 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 10.8 t -67.85 -40.89 83.6 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.231 -0.441 . . . . 0.0 109.955 -179.716 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 -60.35 -38.68 84.58 Favored 'General case' 0 CA--C 1.52 -0.198 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.904 179.598 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 71.8 mt -84.94 -50.16 15.03 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.856 -178.052 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.431 ' O ' HG23 ' A' ' 66' ' ' VAL . 51.9 t80 -54.17 -50.21 67.52 Favored 'General case' 0 N--CA 1.465 0.313 0 N-CA-C 111.611 0.226 . . . . 0.0 111.611 -175.32 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 16.5 t -63.23 -28.48 70.06 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.153 0.501 . . . . 0.0 110.27 -179.101 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -72.92 -41.62 48.22 Favored Glycine 0 N--CA 1.447 -0.569 0 N-CA-C 111.176 -0.77 . . . . 0.0 111.176 178.048 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.499 HG12 HG12 ' A' ' 70' ' ' VAL . 91.1 t -64.08 -47.76 88.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 115.269 -0.466 . . . . 0.0 110.911 178.034 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.431 HG23 ' O ' ' A' ' 62' ' ' TYR . 64.5 t -61.68 -35.35 66.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.854 -179.731 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -74.96 -2.1 25.59 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.738 179.067 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 30.7 t -87.53 -10.28 52.11 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.752 0.311 . . . . 0.0 110.526 178.01 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 89.37 32.05 10.92 Favored Glycine 0 C--N 1.329 0.193 0 C-N-CA 120.637 -0.792 . . . . 0.0 112.176 179.629 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.499 HG12 HG12 ' A' ' 65' ' ' VAL . 14.0 p -89.82 160.9 2.72 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 N-CA-C 110.137 -0.32 . . . . 0.0 110.137 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 42.8 t -55.87 139.47 45.78 Favored 'General case' 0 N--CA 1.451 -0.379 0 N-CA-C 109.895 -0.409 . . . . 0.0 109.895 173.248 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 20.4 m -57.58 -32.74 67.45 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.046 0.387 . . . . 0.0 112.046 -174.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -90.55 -33.31 15.95 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.709 -0.396 . . . . 0.0 110.507 -177.409 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.505 ' HA ' ' CE1' ' A' ' 23' ' ' TYR . 55.0 tt0 -69.31 -24.87 63.99 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-O 121.101 0.477 . . . . 0.0 110.65 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -57.46 -38.21 74.1 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.561 -0.745 . . . . 0.0 111.528 178.768 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -56.27 -48.18 77.09 Favored 'General case' 0 C--N 1.331 -0.203 0 O-C-N 123.24 0.337 . . . . 0.0 110.21 179.238 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.657 ' O ' ' HG ' ' A' ' 81' ' ' LEU . 32.3 mm -61.37 -55.57 23.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.984 -176.273 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . 0.476 ' HB2' ' HB3' ' A' ' 26' ' ' ALA . 20.1 tt0 -57.73 -46.6 84.23 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 120.609 0.242 . . . . 0.0 111.093 179.352 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -58.05 -39.11 77.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.55 -179.061 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.657 ' O ' HD22 ' A' ' 84' ' ' LEU . 2.7 mm? -68.95 -47.38 65.82 Favored 'General case' 0 N--CA 1.447 -0.575 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.137 176.214 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.657 ' HG ' ' O ' ' A' ' 77' ' ' ILE . 14.3 mt -63.44 -38.66 91.99 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.638 0.256 . . . . 0.0 111.549 -174.523 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -60.4 -44.93 95.22 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.924 0.392 . . . . 0.0 110.368 172.512 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.488 HD23 HG12 ' A' ' 58' ' ' ILE . 32.9 tp -59.46 -44.43 92.99 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.88 176.601 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.657 HD22 ' O ' ' A' ' 80' ' ' LEU . 3.8 mm? -60.85 -13.37 15.07 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.45 -0.795 . . . . 0.0 111.747 -178.349 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.472 ' OG ' HD13 ' B' ' 108' ' ' LEU . 19.5 m -98.38 -28.52 13.61 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.62 -0.264 . . . . 0.0 110.904 -178.922 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.406 ' O ' HG12 ' A' ' 90' ' ' VAL . . . -70.04 -41.36 74.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.273 0.559 . . . . 0.0 110.503 -177.387 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.462 ' HG ' ' O ' ' A' ' 83' ' ' LEU . 1.1 pp -84.82 -15.6 44.27 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.486 -0.779 . . . . 0.0 112.777 -172.199 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.451 ' N ' HD13 ' A' ' 87' ' ' LEU . 15.4 m -91.8 -28.95 4.63 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.294 0 C-N-CA 120.397 -0.521 . . . . 0.0 110.86 177.338 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 60.6 t60 -66.47 -35.99 81.64 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.919 0.39 . . . . 0.0 110.184 179.04 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.406 HG12 ' O ' ' A' ' 86' ' ' ALA . 31.4 m -64.59 -26.39 40.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.247 -176.826 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.441 ' HA ' ' HB3' ' A' ' 94' ' ' ALA . 3.5 mm? -67.02 -21.66 65.92 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.588 -0.278 . . . . 0.0 111.427 -179.292 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 32.8 t -64.25 -29.5 70.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.089 0.471 . . . . 0.0 110.173 178.416 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.459 ' HB2' HG12 ' B' ' 99' ' ' VAL . 57.3 m -110.52 -15.81 13.81 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.691 -178.153 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . 0.441 ' HB3' ' HA ' ' A' ' 91' ' ' LEU . . . -83.91 101.21 11.51 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.481 -0.782 . . . . 0.0 111.059 178.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 11.8 t -76.51 93.47 3.55 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 176.37 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.449 HD13 ' HB3' ' B' ' 47' ' ' ALA . 19.6 tt -75.01 143.6 13.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.647 -177.623 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -97.11 -106.23 2.38 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.879 -0.677 . . . . 0.0 112.804 -179.526 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -120.03 110.26 16.47 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.773 0.32 . . . . 0.0 110.902 -176.24 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.411 ' CG1' HD12 ' A' ' 96' ' ' ILE . 4.7 m -95.64 140.89 16.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.771 177.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 27.2 m -98.02 152.13 19.6 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.475 -179.391 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 44.3 m -87.23 4.87 40.88 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.007 0.432 . . . . 0.0 110.269 178.639 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 7.1 p -110.95 132.89 58.19 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.596 0 CA-C-O 121.292 0.568 . . . . 0.0 109.647 -179.515 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 109.7 -16.8 30.96 Favored Glycine 0 N--CA 1.446 -0.699 0 CA-C-N 115.506 -0.77 . . . . 0.0 111.755 -179.026 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.414 ' O ' HD22 ' A' ' 108' ' ' LEU . 17.9 t -59.59 -32.67 49.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-O 120.894 0.378 . . . . 0.0 110.027 177.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -50.32 -38.13 40.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.275 -0.875 . . . . 0.0 111.064 178.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 17.9 m -81.39 -27.09 34.96 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.141 -178.343 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 23.3 m -70.32 -32.4 70.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.062 0.458 . . . . 0.0 110.031 -179.626 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.631 ' O ' ' HG3' ' A' ' 112' ' ' GLN . 4.6 mm? -58.02 -27.69 63.78 Favored 'General case' 0 C--O 1.221 -0.418 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.493 174.897 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . 0.535 ' N ' HD21 ' A' ' 109' ' ' ASN . 0.8 OUTLIER -74.19 -27.82 60.99 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.042 0.449 . . . . 0.0 110.502 -178.536 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 15.9 t -81.23 -37.2 15.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.518 -176.707 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.537 HG11 ' O ' ' A' ' 108' ' ' LEU . 9.5 p -64.48 -32.25 56.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.223 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . 0.631 ' HG3' ' O ' ' A' ' 108' ' ' LEU . 22.4 mt-30 -66.4 -24.81 66.54 Favored 'General case' 0 CA--C 1.519 -0.218 0 CA-C-O 121.294 0.569 . . . . 0.0 110.207 179.38 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -85.26 -33.49 22.16 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.312 -0.858 . . . . 0.0 109.936 -177.67 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' SER . . . . . 0.468 ' OG ' ' HD3' ' A' ' 55' ' ' PRO . 15.1 m -77.63 -46.75 21.11 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 114.941 -1.027 . . . . 0.0 111.728 -173.023 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . 0.453 HG13 ' O ' ' A' ' 111' ' ' VAL . 12.0 p -112.24 -19.61 6.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.617 -174.156 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -57.67 -31.47 63.9 Favored Glycine 0 C--O 1.228 -0.248 0 C-N-CA 121.202 -0.523 . . . . 0.0 112.769 -178.306 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.68 -3.33 56.19 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 111.965 0.357 . . . . 0.0 111.965 -179.595 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -107.96 -26.28 10.78 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.8 0.333 . . . . 0.0 110.338 178.095 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . 0.403 ' O ' ' HB3' ' B' ' 22' ' ' SER . 33.4 m -92.51 -4.23 10.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-O 121.181 0.515 . . . . 0.0 110.615 175.017 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.811 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.904 179.518 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.01 -0.436 . . . . 0.0 112.01 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' -4' ' ' SER . . . . . . . . . . . . . 13.3 m -103.35 15.33 29.38 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.11 0.481 . . . . 0.0 110.565 -179.627 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' -3' ' ' GLY . . . . . . . . . . . . . . . 77.15 44.77 12.77 Favored Glycine 0 N--CA 1.449 -0.485 0 N-CA-C 111.096 -0.801 . . . . 0.0 111.096 -176.285 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' -2' ' ' ASN . . . . . 0.432 ' HB2' ' O ' ' A' ' 3' ' ' SER . 1.4 m-20 -60.46 127.29 30.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.329 -0.435 . . . . 0.0 110.983 -176.114 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' -1' ' ' SER . . . . . . . . . . . . . 4.0 p -92.17 71.01 5.36 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.395 0.617 . . . . 0.0 109.936 177.068 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 57.8 t -123.9 139.92 48.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.417 -177.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 2' ' ' THR . . . . . 0.422 ' O ' HG21 ' B' ' 2' ' ' THR . 9.8 t -107.05 84.59 2.0 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 122.114 0.959 . . . . 0.0 110.39 177.649 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 59.2 m -159.21 176.61 11.99 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.268 -0.878 . . . . 0.0 109.254 179.779 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 4' ' ' GLY . . . . . 0.429 ' HA2' ' CA ' ' A' ' -1' ' ' SER . . . 107.26 -156.36 15.97 Favored Glycine 0 N--CA 1.448 -0.541 0 C-N-CA 120.125 -1.036 . . . . 0.0 112.901 175.81 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 5' ' ' GLY . . . . . 0.439 ' HA2' ' HB2' ' B' ' 19' ' ' ALA . . . 82.92 -105.64 2.68 Favored Glycine 0 N--CA 1.443 -0.88 0 C-N-CA 120.975 -0.631 . . . . 0.0 113.016 176.324 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 6' ' ' TYR . . . . . . . . . . . . . 49.6 p90 -57.9 -25.9 61.43 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 112.666 0.617 . . . . 0.0 112.666 -172.662 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -68.1 -27.97 73.52 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.953 -0.641 . . . . 0.0 113.573 -175.071 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 81.4 m-85 -83.24 3.08 32.69 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.995 0.426 . . . . 0.0 110.792 -178.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 107.39 102.88 2.83 Favored Glycine 0 N--CA 1.437 -1.237 0 N-CA-C 111.162 -0.775 . . . . 0.0 111.162 -176.726 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 58.2 p -58.6 -35.48 72.49 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.458 0.647 . . . . 0.0 110.982 -177.36 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 35.0 m -98.23 83.03 3.01 Favored 'General case' 0 N--CA 1.445 -0.678 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.471 178.168 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -108.99 137.96 46.09 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.678 178.777 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -92.76 11.34 27.25 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.217 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -115.43 179.62 3.91 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.075 179.529 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 15' ' ' GLY . . . . . 0.583 ' HA3' ' H ' ' B' ' 25' ' ' GLY . . . -147.81 -170.02 15.52 Favored Glycine 0 N--CA 1.445 -0.702 0 C-N-CA 120.202 -0.999 . . . . 0.0 113.001 -177.097 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . 69.3 -60.84 0.45 Allowed 'General case' 0 C--N 1.337 0.057 0 C-N-CA 123.675 0.79 . . . . 0.0 112.836 177.318 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -129.73 52.81 0.82 Allowed Glycine 0 N--CA 1.446 -0.655 0 C-N-CA 120.889 -0.672 . . . . 0.0 112.056 -179.112 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . 0.412 HG23 ' H ' ' B' ' 19' ' ' ALA . 0.7 OUTLIER -102.36 -64.84 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 120.842 0.354 . . . . 0.0 111.318 177.799 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 19' ' ' ALA . . . . . 0.494 ' HB3' ' O ' ' B' ' 22' ' ' SER . . . -120.62 154.62 35.21 Favored 'General case' 0 N--CA 1.444 -0.744 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 -178.691 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.13 -34.91 79.13 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 120.645 0.26 . . . . 0.0 111.651 -175.544 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -129.06 27.07 4.35 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.331 -179.806 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 22' ' ' SER . . . . . 0.494 ' O ' ' HB3' ' B' ' 19' ' ' ALA . 40.1 m -154.5 129.09 9.23 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-O 120.885 0.374 . . . . 0.0 110.872 179.06 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 23' ' ' TYR . . . . . 0.432 ' CE1' ' HA ' ' B' ' 74' ' ' GLU . 0.0 OUTLIER -152.91 135.41 15.15 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.205 -0.452 . . . . 0.0 109.783 -178.841 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -94.28 -13.15 26.8 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.457 -178.293 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . 0.583 ' H ' ' HA3' ' B' ' 15' ' ' GLY . . . -62.54 -34.61 89.99 Favored Glycine 0 N--CA 1.453 -0.207 0 C-N-CA 120.622 -0.799 . . . . 0.0 111.658 -177.757 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 26' ' ' ALA . . . . . 0.493 ' HB3' ' HB2' ' B' ' 78' ' ' GLN . . . -65.62 -26.05 67.65 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.232 0.539 . . . . 0.0 110.799 176.627 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . 0.441 ' CG1' ' HA ' ' A' ' 112' ' ' GLN . 2.3 t -86.63 -40.41 14.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-O 121.605 0.717 . . . . 0.0 110.539 -174.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 69.1 m-20 -69.47 -17.22 63.6 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.759 -172.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 29' ' ' ARG . . . . . 0.412 HH21 ' CD ' ' B' ' 34' ' ' GLU . 12.6 ptm180 -95.83 6.86 47.87 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.871 0.367 . . . . 0.0 110.934 -178.749 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . 0.486 ' HB3' HD12 ' A' ' 108' ' ' LEU . 98.8 mt -75.78 -25.93 56.88 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.899 0.381 . . . . 0.0 110.872 -179.027 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 13.7 p -73.6 -2.9 24.87 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.225 0.536 . . . . 0.0 110.769 178.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 68.3 m -85.01 157.83 20.65 Favored 'General case' 0 N--CA 1.443 -0.824 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.756 178.456 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.56 -24.14 66.44 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.369 -179.674 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . 0.412 ' CD ' HH21 ' B' ' 29' ' ' ARG . 28.9 mt-10 -50.4 -57.74 7.29 Favored 'General case' 0 CA--C 1.521 -0.157 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.818 178.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 35' ' ' ALA . . . . . 0.596 ' O ' HG22 ' B' ' 39' ' ' VAL . . . -63.8 -61.07 2.53 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.868 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -48.64 -35.18 13.18 Favored 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 112.592 0.59 . . . . 0.0 112.592 -174.503 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 30.1 t -69.94 -27.65 64.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.712 0.291 . . . . 0.0 111.41 -178.021 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 58.4 mtp85 -96.0 -39.97 9.5 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.646 0.736 . . . . 0.0 109.671 -176.702 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . 0.596 HG22 ' O ' ' B' ' 35' ' ' ALA . 39.7 t -61.48 -42.4 93.75 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.762 0 CA-C-N 114.594 -1.185 . . . . 0.0 110.676 179.633 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 78.4 p -74.19 -8.27 55.61 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.993 0.425 . . . . 0.0 111.271 179.73 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 30.6 t -90.66 -17.59 26.55 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.09 0.472 . . . . 0.0 110.319 -179.713 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 46.4 m-80 -114.2 -2.83 13.29 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.281 -175.319 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 43' ' ' ILE . . . . . 0.483 HG23 ' O ' ' B' ' 39' ' ' VAL . 4.0 pt -57.87 -41.86 80.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.991 0.424 . . . . 0.0 111.07 178.173 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . 0.447 ' N ' HG13 ' B' ' 43' ' ' ILE . . . -77.2 -14.14 59.82 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.034 0.445 . . . . 0.0 111.015 -176.056 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -81.83 -51.27 8.29 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.365 -179.611 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 46' ' ' ILE . . . . . 0.414 HG23 ' HB3' ' B' ' 87' ' ' LEU . 34.9 mt -67.67 -32.74 58.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.213 179.683 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . 0.449 ' HB3' HD13 ' A' ' 96' ' ' ILE . . . -65.2 -16.56 63.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.511 178.558 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 47.1 m -106.96 -31.07 8.48 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.632 -177.009 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -97.53 -28.59 8.35 Favored Glycine 0 N--CA 1.453 -0.218 0 C-N-CA 120.545 -0.836 . . . . 0.0 112.957 -179.19 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 76.98 -73.41 1.96 Allowed Glycine 0 N--CA 1.448 -0.551 0 N-CA-C 111.664 -0.574 . . . . 0.0 111.664 -178.545 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -120.58 -28.75 4.87 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 120.869 0.366 . . . . 0.0 110.874 -179.394 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 11.3 p -73.91 -10.05 59.26 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.014 0.435 . . . . 0.0 111.206 -176.032 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -89.56 -15.78 32.13 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.559 179.651 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 54' ' ' LEU . . . . . 0.441 HD11 HG12 ' A' ' 88' ' ' VAL . 38.4 mt -56.38 -59.17 12.82 Favored Pre-proline 0 C--N 1.327 -0.385 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.846 -176.81 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 55' ' ' PRO . . . . . 0.432 ' HD2' ' N ' ' B' ' 54' ' ' LEU . 15.8 Cg_endo -57.72 -25.59 69.04 Favored 'Trans proline' 0 C--N 1.353 0.773 0 C-N-CA 122.272 1.981 . . . . 0.0 112.335 -177.059 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 14.9 m -86.76 -42.65 13.16 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.142 -178.763 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 77.6 t -77.52 -37.6 24.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.978 0.418 . . . . 0.0 110.543 -174.319 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 58' ' ' ILE . . . . . 0.448 HG12 ' HG ' ' B' ' 83' ' ' LEU . 67.4 mt -57.95 -38.16 64.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.806 174.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 23.1 t -69.91 -42.84 72.81 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.269 179.676 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 96.1 m-20 -55.99 -47.76 77.12 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.832 179.524 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . 0.426 ' O ' HG23 ' B' ' 65' ' ' VAL . 54.5 mt -75.48 -47.5 34.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 115.521 -0.763 . . . . 0.0 111.583 -177.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 62' ' ' TYR . . . . . 0.423 ' O ' HG23 ' B' ' 66' ' ' VAL . 51.1 t80 -52.62 -50.03 63.93 Favored 'General case' 0 N--CA 1.467 0.388 0 O-C-N 123.087 0.242 . . . . 0.0 111.21 -177.635 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 29.8 t -60.77 -30.52 70.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.499 -179.756 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -74.58 -40.21 39.23 Favored Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 120.4 -0.905 . . . . 0.0 111.155 179.038 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 65' ' ' VAL . . . . . 0.468 HG11 HG12 ' B' ' 70' ' ' VAL . 98.0 t -63.19 -47.4 92.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-N 115.171 -0.514 . . . . 0.0 110.912 178.517 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 66' ' ' VAL . . . . . 0.423 HG23 ' O ' ' B' ' 62' ' ' TYR . 68.6 t -62.14 -37.9 79.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.609 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -70.47 -5.87 31.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.869 178.648 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 30.7 t -89.22 -5.37 57.71 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-O 120.894 0.378 . . . . 0.0 110.706 179.162 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 84.6 29.59 29.29 Favored Glycine 0 C--N 1.33 0.242 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.328 178.118 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . 0.468 HG12 HG11 ' B' ' 65' ' ' VAL . 14.1 p -78.64 164.98 3.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 115.592 -0.304 . . . . 0.0 110.245 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 71' ' ' SER . . . . . 0.418 ' N ' HG22 ' B' ' 70' ' ' VAL . 45.4 t -61.87 139.05 58.4 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 172.475 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 10.0 m -52.68 -38.55 60.71 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 112.378 0.51 . . . . 0.0 112.378 -174.056 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -89.69 -30.95 17.72 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.791 0.329 . . . . 0.0 110.52 -175.883 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 74' ' ' GLU . . . . . 0.432 ' HA ' ' CE1' ' B' ' 23' ' ' TYR . 45.0 tt0 -70.24 -24.47 63.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.875 0.369 . . . . 0.0 110.61 179.608 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -54.93 -37.99 67.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.811 -0.632 . . . . 0.0 111.485 178.096 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -57.49 -48.16 79.97 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 177.054 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 77' ' ' ILE . . . . . 0.704 ' O ' ' HG ' ' B' ' 81' ' ' LEU . 37.5 mm -64.1 -55.19 23.4 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-N 115.453 -0.794 . . . . 0.0 111.259 -176.127 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 78' ' ' GLN . . . . . 0.493 ' HB2' ' HB3' ' B' ' 26' ' ' ALA . 28.6 tt0 -56.59 -45.56 81.3 Favored 'General case' 0 N--CA 1.464 0.269 0 C-N-CA 120.871 -0.332 . . . . 0.0 111.134 179.297 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -57.18 -44.04 83.2 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.982 0.42 . . . . 0.0 110.624 178.649 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 80' ' ' LEU . . . . . 0.627 ' O ' HD21 ' B' ' 84' ' ' LEU . 3.5 mm? -68.26 -38.85 82.18 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.476 177.725 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . 0.704 ' HG ' ' O ' ' B' ' 77' ' ' ILE . 81.1 mt -60.84 -47.48 86.17 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.904 0.383 . . . . 0.0 110.979 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 57.7 mt-10 -64.96 -37.82 88.91 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.637 177.495 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 83' ' ' LEU . . . . . 0.448 ' HG ' HG12 ' B' ' 58' ' ' ILE . 3.4 tm? -60.48 -46.06 91.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.725 -0.671 . . . . 0.0 109.914 176.07 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 84' ' ' LEU . . . . . 0.627 HD21 ' O ' ' B' ' 80' ' ' LEU . 4.0 mm? -68.67 -7.96 38.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.844 -178.759 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 42.1 m -95.43 -34.84 11.95 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 120.86 0.362 . . . . 0.0 110.703 -178.715 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -67.9 -44.46 76.9 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.083 -176.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 87' ' ' LEU . . . . . 0.448 HD12 ' N ' ' B' ' 88' ' ' VAL . 1.2 pp -79.6 -16.78 55.24 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 113.16 0.8 . . . . 0.0 113.16 -171.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 88' ' ' VAL . . . . . 0.448 ' N ' HD12 ' B' ' 87' ' ' LEU . 16.9 m -91.64 -26.02 5.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 C-N-CA 120.228 -0.589 . . . . 0.0 110.735 177.253 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 89' ' ' HIS . . . . . 0.41 ' CD2' HG23 ' A' ' 104' ' ' VAL . 69.3 t60 -67.46 -36.25 80.8 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.063 177.545 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 90' ' ' VAL . . . . . 0.449 ' HB ' ' CD1' ' A' ' 96' ' ' ILE . 32.0 m -64.55 -25.9 39.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.517 -175.694 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 91' ' ' LEU . . . . . 0.432 ' HA ' ' HB3' ' B' ' 94' ' ' ALA . 3.1 mm? -68.43 -20.43 64.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.609 -0.269 . . . . 0.0 111.175 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 33.1 t -62.96 -31.41 72.51 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.054 0.454 . . . . 0.0 110.269 178.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 19.2 m -116.09 13.53 15.82 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.248 0.547 . . . . 0.0 110.305 -179.623 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 94' ' ' ALA . . . . . 0.432 ' HB3' ' HA ' ' B' ' 91' ' ' LEU . . . -109.29 98.83 8.19 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.65 179.232 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 16.8 t -75.24 93.42 2.84 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 177.322 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 96' ' ' ILE . . . . . 0.43 HD12 ' HB3' ' A' ' 47' ' ' ALA . 18.9 tt -71.59 144.85 12.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.711 -177.54 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 97' ' ' GLY . . . . . . . . . . . . . . . -92.03 -106.22 1.55 Allowed Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 120.974 -0.631 . . . . 0.0 112.245 179.517 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 98' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -126.1 109.82 12.81 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 110.148 -0.316 . . . . 0.0 110.148 -178.261 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 99' ' ' VAL . . . . . 0.459 HG12 ' HB2' ' A' ' 93' ' ' SER . 12.8 m -91.91 165.0 2.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.109 175.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 100' ' ' SER . . . . . . . . . . . . . 44.1 m -139.75 155.47 47.3 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 120.725 0.298 . . . . 0.0 110.664 -179.459 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 26.7 m -84.26 6.42 22.87 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.371 -176.652 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 4.8 p -98.35 113.94 34.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-O 121.562 0.696 . . . . 0.0 110.64 -179.425 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . 114.04 -9.43 23.02 Favored Glycine 0 N--CA 1.448 -0.563 0 CA-C-N 115.266 -0.879 . . . . 0.0 112.557 178.488 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 104' ' ' VAL . . . . . . . . . . . . . 46.5 t -62.2 -34.56 64.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 177.2 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -50.89 -43.54 59.72 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 121.741 0.781 . . . . 0.0 110.227 178.628 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 4.4 m -71.34 -25.93 62.6 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.011 -0.995 . . . . 0.0 111.09 -179.087 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 23.1 m -74.69 -34.05 62.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.899 0.38 . . . . 0.0 110.225 -177.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 108' ' ' LEU . . . . . 0.617 ' O ' HG11 ' B' ' 111' ' ' VAL . 4.3 mm? -58.46 -37.38 75.34 Favored 'General case' 0 C--O 1.226 -0.179 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.514 176.2 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 109' ' ' ASN . . . . . . . . . . . . . 19.0 m-80 -65.8 -25.32 67.19 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.497 -178.272 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 110' ' ' VAL . . . . . . . . . . . . . 24.3 t -86.74 -38.69 12.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.062 -177.112 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 111' ' ' VAL . . . . . 0.617 HG11 ' O ' ' B' ' 108' ' ' LEU . 8.8 p -61.46 -28.95 45.0 Favored 'Isoleucine or valine' 0 C--O 1.235 0.299 0 CA-C-O 121.249 0.547 . . . . 0.0 110.115 -179.516 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 112' ' ' GLN . . . . . 0.578 ' HG3' ' O ' ' B' ' 108' ' ' LEU . 25.3 mt-30 -63.85 -23.83 67.51 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.707 179.187 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 113' ' ' ASP . . . . . 0.419 ' O ' ' HG2' ' B' ' 117' ' ' GLN . 28.6 t70 -80.69 -38.87 28.14 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.578 -178.862 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 11.1 m -76.49 -36.94 57.54 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.302 -0.863 . . . . 0.0 112.223 -170.315 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 115' ' ' VAL . . . . . 0.487 HG12 HD21 ' A' ' 81' ' ' LEU . 12.9 p -112.07 -22.67 4.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-O 120.831 0.348 . . . . 0.0 111.385 -176.492 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 116' ' ' GLY . . . . . . . . . . . . . . . -63.87 -16.71 59.74 Favored Glycine 0 C--O 1.226 -0.392 0 CA-C-N 116.27 -0.423 . . . . 0.0 113.121 -176.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 117' ' ' GLN . . . . . 0.419 ' HG2' ' O ' ' B' ' 113' ' ' ASP . 0.0 OUTLIER -93.19 0.4 57.12 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.926 0.393 . . . . 0.0 111.432 178.626 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 118' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -113.63 -29.34 7.17 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.373 177.43 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 119' ' ' VAL . . . . . . . . . . . . . 34.6 m -93.09 -3.15 10.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.12 177.362 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.969 0 CA-C-O 118.039 -1.423 . . . . 0.0 110.931 -178.809 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.74 0 N-CA-C 111.673 -0.571 . . . . 0.0 111.673 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 37.7 m -79.2 94.82 5.47 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.142 0.496 . . . . 0.0 110.704 178.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . -78.82 90.44 1.17 Allowed Glycine 0 N--CA 1.448 -0.513 0 CA-C-N 115.715 -0.675 . . . . 0.0 112.379 -179.547 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' -2' ' ' ASN . . . . . . . . . . . . . 25.8 p-10 -88.61 -18.97 26.91 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.116 0.484 . . . . 0.0 110.542 178.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 2.6 p -93.44 88.66 6.02 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.206 0.527 . . . . 0.0 111.052 -179.528 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 30.0 t -87.02 94.98 4.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 177.149 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 37.3 p -92.51 -175.38 3.97 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.402 -175.61 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.1 m -69.62 -10.29 57.62 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.774 -176.71 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -134.08 6.97 4.75 Favored Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.151 176.546 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -81.2 52.96 4.59 Favored Glycine 0 CA--C 1.518 0.251 0 C-N-CA 121.133 -0.556 . . . . 0.0 112.977 -175.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.401 ' HA ' HG21 ' A' ' 10' ' ' THR . 17.9 p90 -161.64 -31.75 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 122.403 0.281 . . . . 0.0 111.009 -179.068 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 66.33 45.93 82.41 Favored Glycine 0 N--CA 1.446 -0.683 0 C-N-CA 120.43 -0.891 . . . . 0.0 112.0 178.506 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.472 ' HB3' ' O ' ' A' ' 18' ' ' VAL . 35.2 m-85 67.78 -48.96 0.52 Allowed 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 124.125 0.97 . . . . 0.0 111.968 -173.73 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -141.29 104.16 0.37 Allowed Glycine 0 N--CA 1.442 -0.963 0 N-CA-C 110.669 -0.972 . . . . 0.0 110.669 -176.652 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.401 HG21 ' HA ' ' A' ' 6' ' ' TYR . 27.6 p -57.7 -50.16 74.13 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-O 121.255 0.55 . . . . 0.0 112.022 -174.105 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 56.4 m -75.71 -25.47 56.67 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.525 -0.761 . . . . 0.0 111.421 -179.095 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . 68.56 124.32 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.284 0 O-C-N 123.966 0.791 . . . . 0.0 111.406 -176.364 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -134.21 -176.95 4.37 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.792 -175.12 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -83.1 17.92 1.85 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.196 0.522 . . . . 0.0 110.953 179.777 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.579 ' O ' ' HA3' ' A' ' 25' ' ' GLY . . . 112.81 103.52 2.64 Favored Glycine 0 N--CA 1.443 -0.845 0 C-N-CA 120.96 -0.638 . . . . 0.0 111.98 -179.843 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -168.13 96.18 0.42 Allowed 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 109.049 -0.722 . . . . 0.0 109.049 178.366 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 61.21 35.86 91.52 Favored Glycine 0 N--CA 1.45 -0.414 0 N-CA-C 111.276 -0.729 . . . . 0.0 111.276 -171.162 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.472 ' O ' ' HB3' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -72.96 -69.36 0.34 Allowed 'Isoleucine or valine' 0 C--O 1.225 -0.23 0 CA-C-O 120.752 0.31 . . . . 0.0 111.295 -176.673 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.459 ' HB2' ' HB2' ' A' ' 22' ' ' SER . . . -98.44 177.42 5.35 Favored 'General case' 0 C--N 1.316 -0.876 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 -178.31 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.88 -44.99 94.62 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.237 -178.078 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -139.07 27.47 2.66 Favored Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.931 -0.652 . . . . 0.0 111.832 -179.476 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.468 ' HB3' ' O ' ' B' ' 119' ' ' VAL . 29.5 m -137.73 125.97 23.13 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 120.828 0.346 . . . . 0.0 110.303 179.365 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.537 ' CE1' ' HA ' ' A' ' 74' ' ' GLU . 0.1 OUTLIER -149.06 125.52 10.94 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.097 -0.501 . . . . 0.0 109.827 -177.786 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -83.86 -27.8 28.43 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.852 -176.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.579 ' HA3' ' O ' ' A' ' 15' ' ' GLY . . . -60.97 -31.65 77.2 Favored Glycine 0 CA--C 1.508 -0.375 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.276 -179.685 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.455 ' HB3' ' HB2' ' A' ' 78' ' ' GLN . . . -65.88 -17.35 64.59 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.213 0.53 . . . . 0.0 110.355 177.744 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.53 HG23 ' CD1' ' A' ' 81' ' ' LEU . 3.2 t -96.15 -45.1 13.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.314 -179.335 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.404 HD21 ' HA2' ' A' ' 25' ' ' GLY . 45.8 m-80 -62.87 -32.19 73.37 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.685 -0.406 . . . . 0.0 110.395 -179.273 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.452 HH21 HG12 ' A' ' 65' ' ' VAL . 6.3 ttp85 -67.47 -7.49 25.97 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.759 -179.061 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.441 HD11 ' HB3' ' A' ' 81' ' ' LEU . 75.0 mt -76.15 -19.88 58.08 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.738 0.304 . . . . 0.0 111.015 -179.004 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 60.7 p -75.85 -10.4 59.4 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.023 0.44 . . . . 0.0 110.774 -178.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 34.9 t -78.0 155.91 30.45 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.154 179.318 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.01 -18.0 63.87 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.3 -178.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -58.08 -50.59 72.94 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.579 179.533 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.668 ' O ' HG23 ' A' ' 39' ' ' VAL . . . -62.49 -55.79 24.21 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.413 178.459 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.61 -35.8 32.02 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.678 -177.047 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 24.9 t -73.18 -20.67 60.84 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.088 -0.506 . . . . 0.0 112.113 -178.563 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.459 ' HD2' ' OE1' ' A' ' 82' ' ' GLU . 56.5 mtt180 -99.31 -51.24 3.86 Favored 'General case' 0 CA--C 1.514 -0.407 0 CA-C-O 121.868 0.842 . . . . 0.0 109.5 -178.849 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.668 HG23 ' O ' ' A' ' 35' ' ' ALA . 26.0 t -56.26 -41.26 69.91 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-N 114.081 -1.418 . . . . 0.0 111.191 -176.411 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.441 ' O ' HG12 ' A' ' 43' ' ' ILE . 91.7 p -78.85 -4.79 51.35 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.98 0.419 . . . . 0.0 111.559 -176.867 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 22.6 t -99.19 -5.98 29.02 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.109 0.48 . . . . 0.0 110.096 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 45.9 m-80 -117.27 -5.52 11.32 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.575 -178.587 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.481 HG22 ' O ' ' A' ' 39' ' ' VAL . 7.7 pt -58.15 -43.61 85.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.605 179.691 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.481 ' N ' HG13 ' A' ' 43' ' ' ILE . . . -75.92 -14.69 60.26 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.106 0.479 . . . . 0.0 110.94 -175.186 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -78.69 -49.55 12.93 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.789 178.764 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 36.6 mt -67.37 -33.98 65.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.132 179.289 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.457 ' HB3' HD13 ' B' ' 96' ' ' ILE . . . -61.46 -26.21 67.74 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.169 179.067 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 24.9 m -98.88 -32.23 11.44 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.696 -175.607 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -99.15 -25.82 9.27 Favored Glycine 0 CA--C 1.519 0.333 0 C-N-CA 120.562 -0.827 . . . . 0.0 113.416 -176.459 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 73.43 -76.13 0.96 Allowed Glycine 0 N--CA 1.45 -0.381 0 N-CA-C 111.726 -0.55 . . . . 0.0 111.726 -178.484 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -118.94 -22.94 7.08 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-O 121.005 0.431 . . . . 0.0 110.313 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 35.8 t -72.2 -14.81 61.89 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.833 -0.622 . . . . 0.0 110.678 -177.601 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -90.39 -17.64 26.9 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.812 -177.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.405 ' N ' ' HD2' ' A' ' 55' ' ' PRO . 55.0 mt -53.86 -56.92 20.46 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.029 -0.532 . . . . 0.0 112.172 -175.704 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.405 ' HD2' ' N ' ' A' ' 54' ' ' LEU . 28.6 Cg_endo -63.66 -13.69 38.25 Favored 'Trans proline' 0 C--N 1.353 0.772 0 C-N-CA 122.103 1.869 . . . . 0.0 112.87 -175.868 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 38.6 m -100.49 -37.99 8.58 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.82 0.343 . . . . 0.0 111.101 179.541 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 79.4 t -75.96 -38.01 35.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 121.038 0.447 . . . . 0.0 109.926 -175.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.456 HG12 HD23 ' A' ' 83' ' ' LEU . 72.1 mt -58.26 -39.39 73.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.775 -0.648 . . . . 0.0 109.766 173.821 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 23.8 t -67.42 -40.7 85.54 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.2 -177.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 95.9 m-20 -61.91 -49.6 75.51 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.887 178.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 59.9 mt -73.24 -46.55 49.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.805 -176.257 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.515 ' O ' HG23 ' A' ' 66' ' ' VAL . 61.7 t80 -53.65 -55.68 23.87 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 120.69 0.281 . . . . 0.0 111.07 -177.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 23.0 t -62.69 -27.74 69.46 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.568 -178.433 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -69.33 -40.94 80.09 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.948 -0.644 . . . . 0.0 112.092 178.453 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.452 HG12 HH21 ' A' ' 29' ' ' ARG . 36.3 t -74.11 -39.48 50.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.823 0.344 . . . . 0.0 110.625 178.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.515 HG23 ' O ' ' A' ' 62' ' ' TYR . 97.3 t -59.99 -34.42 56.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.672 179.291 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.7 -20.46 56.46 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.957 -0.565 . . . . 0.0 112.154 178.768 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 50.8 m -72.51 -22.22 61.07 Favored 'General case' 0 N--CA 1.445 -0.677 0 CA-C-O 120.773 0.321 . . . . 0.0 111.404 179.755 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 98.93 15.38 33.78 Favored Glycine 0 C--N 1.33 0.214 0 C-N-CA 120.531 -0.843 . . . . 0.0 112.067 -176.486 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 12.5 p -69.78 160.65 4.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 C-N-CA 122.574 0.35 . . . . 0.0 110.415 179.365 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 35.6 t -59.55 143.53 49.98 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 175.314 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 12.6 t -63.39 -36.9 85.26 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.485 -172.53 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -84.23 -31.41 25.04 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.96 0.409 . . . . 0.0 109.95 -178.449 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.537 ' HA ' ' CE1' ' A' ' 23' ' ' TYR . 37.9 tt0 -68.85 -31.76 70.95 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.318 0.58 . . . . 0.0 109.756 177.809 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.26 -36.43 75.49 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.286 -0.87 . . . . 0.0 111.489 177.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -57.96 -45.21 87.06 Favored 'General case' 0 N--CA 1.463 0.215 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.677 ' O ' ' HG ' ' A' ' 81' ' ' LEU . 39.1 mm -63.13 -56.04 19.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.857 -178.188 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . 0.455 ' HB2' ' HB3' ' A' ' 26' ' ' ALA . 8.9 tt0 -59.41 -44.85 92.78 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.831 -0.348 . . . . 0.0 111.109 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -59.44 -38.62 81.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.01 0.433 . . . . 0.0 110.869 179.729 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.656 ' O ' HD23 ' A' ' 84' ' ' LEU . 5.3 mt -70.75 -40.6 72.62 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.822 177.487 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.677 ' HG ' ' O ' ' A' ' 77' ' ' ILE . 32.0 mt -69.45 -34.06 73.84 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 120.87 0.367 . . . . 0.0 110.932 -178.51 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.459 ' OE1' ' HD2' ' A' ' 38' ' ' ARG . 40.0 mt-10 -69.88 -14.79 62.91 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.794 171.383 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.472 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 43.1 tp -88.39 -43.99 11.09 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-O 121.256 0.551 . . . . 0.0 110.09 173.733 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.656 HD23 ' O ' ' A' ' 80' ' ' LEU . 4.1 mm? -64.6 -9.37 18.87 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.309 -0.859 . . . . 0.0 111.915 -177.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 2.7 p -101.62 -18.84 15.7 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 120.783 0.325 . . . . 0.0 110.989 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.405 ' HB2' HG11 ' A' ' 39' ' ' VAL . . . -80.58 -49.71 10.95 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.562 0.696 . . . . 0.0 110.375 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.507 HD11 ' N ' ' A' ' 88' ' ' VAL . 1.1 pp -73.26 -22.25 60.43 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.057 -0.974 . . . . 0.0 112.836 -172.365 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.507 ' N ' HD11 ' A' ' 87' ' ' LEU . 22.5 m -87.15 -23.94 6.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 C-N-CA 120.596 -0.442 . . . . 0.0 110.593 177.551 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 76.9 t60 -69.45 -36.72 76.88 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.235 179.656 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.435 HG23 ' O ' ' A' ' 87' ' ' LEU . 22.5 m -65.36 -26.82 40.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.484 -175.725 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.417 ' HA ' ' HB1' ' A' ' 94' ' ' ALA . 3.7 mm? -64.38 -25.17 67.91 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.6 -0.273 . . . . 0.0 111.282 -179.876 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 34.7 t -62.53 -28.33 69.78 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.096 0.475 . . . . 0.0 110.917 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.513 ' HB2' HG12 ' B' ' 99' ' ' VAL . 19.6 m -115.67 0.69 13.32 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.67 0.748 . . . . 0.0 110.702 -178.818 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . 0.417 ' HB1' ' HA ' ' A' ' 91' ' ' LEU . . . -95.47 113.42 25.07 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-N 115.168 -0.924 . . . . 0.0 110.874 178.704 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 8.5 t -84.44 88.42 7.29 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 177.64 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.454 HD12 ' HB1' ' B' ' 47' ' ' ALA . 15.9 tt -70.17 135.18 28.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.268 179.739 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -84.02 -75.53 1.2 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.271 -177.503 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 39.0 t30 -154.49 139.05 16.88 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 176.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 4.9 m -123.21 138.86 51.72 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.806 0 CA-C-O 120.986 0.422 . . . . 0.0 110.505 178.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 16.8 m -112.63 148.93 33.58 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.238 -176.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' SER . . . . . 0.459 ' HB3' ' HB2' ' B' ' 40' ' ' SER . 46.5 m -72.34 -9.05 57.99 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.215 0.531 . . . . 0.0 111.433 -177.483 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 43.8 t -84.96 101.65 9.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.042 -176.176 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 132.19 -12.95 5.24 Favored Glycine 0 N--CA 1.453 -0.196 0 C-N-CA 120.616 -0.802 . . . . 0.0 112.931 176.107 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.413 ' O ' HD11 ' A' ' 108' ' ' LEU . 48.3 t -57.5 -33.54 44.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.585 0.231 . . . . 0.0 110.644 178.172 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -52.91 -39.95 63.16 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.376 178.338 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 12.6 m -77.62 -39.68 44.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.562 -0.744 . . . . 0.0 111.239 -177.537 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 30.4 m -60.61 -33.97 73.55 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-O 121.35 0.595 . . . . 0.0 110.597 178.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.464 HD23 HG23 ' B' ' 39' ' ' VAL . 3.0 mt -60.75 -24.53 65.8 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.422 -0.808 . . . . 0.0 111.772 178.5 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . 0.494 ' N ' HD21 ' A' ' 109' ' ' ASN . 0.8 OUTLIER -77.27 -17.75 58.14 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.909 0.385 . . . . 0.0 110.38 -179.85 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 38.9 t -90.78 -35.92 7.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.864 -176.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.452 HG12 ' OG ' ' B' ' 85' ' ' SER . 11.1 p -64.52 -25.29 37.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 121.325 0.583 . . . . 0.0 110.636 -179.421 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . 0.437 ' HG3' ' O ' ' A' ' 108' ' ' LEU . 23.1 mt-30 -71.76 -18.68 62.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.475 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -84.27 -35.33 23.46 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.896 -175.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 10.4 p -78.64 -46.14 19.89 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.405 -0.816 . . . . 0.0 112.053 -172.211 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . 0.438 HG13 HD21 ' B' ' 81' ' ' LEU . 14.8 p -107.39 -19.04 6.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-O 120.808 0.337 . . . . 0.0 111.46 -172.655 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -57.7 -27.46 58.95 Favored Glycine 0 C--O 1.228 -0.226 0 C-N-CA 121.159 -0.543 . . . . 0.0 112.901 -178.514 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -87.28 0.58 55.18 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 111.72 0.267 . . . . 0.0 111.72 -178.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 88.6 m-85 -110.81 -30.36 7.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.014 0.435 . . . . 0.0 109.951 176.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 34.0 m -91.23 -3.22 10.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.646 176.03 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.524 0 C-N-CA 121.016 -0.611 . . . . 0.0 111.893 178.862 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.537 0 N-CA-C 111.898 -0.481 . . . . 0.0 111.898 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' -4' ' ' SER . . . . . . . . . . . . . 39.5 m -110.83 159.14 17.93 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 110.032 -0.359 . . . . 0.0 110.032 178.509 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' -3' ' ' GLY . . . . . . . . . . . . . . . -124.0 164.44 17.26 Favored Glycine 0 N--CA 1.447 -0.6 0 C-N-CA 120.49 -0.862 . . . . 0.0 112.371 -179.003 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' -2' ' ' ASN . . . . . . . . . . . . . 16.2 t-20 -74.13 -42.51 59.9 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.137 0.494 . . . . 0.0 110.24 178.496 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' -1' ' ' SER . . . . . . . . . . . . . 15.2 p -138.76 154.15 48.5 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.123 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 44.5 t -83.82 96.51 4.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-O 121.055 0.455 . . . . 0.0 110.27 -179.67 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 41.3 p -81.35 165.02 21.73 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.577 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 6.2 p -60.62 -39.7 89.18 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.877 0.37 . . . . 0.0 110.805 179.297 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -77.78 -2.92 82.93 Favored Glycine 0 N--CA 1.452 -0.292 0 CA-C-N 115.985 -0.552 . . . . 0.0 112.462 179.126 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -77.36 -30.49 54.02 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 121.09 -0.576 . . . . 0.0 111.918 177.151 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 6' ' ' TYR . . . . . . . . . . . . . 27.4 p90 -112.83 -39.97 4.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.772 0.32 . . . . 0.0 111.071 177.772 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . 67.46 -154.19 52.93 Favored Glycine 0 N--CA 1.445 -0.764 0 C-N-CA 121.197 -0.525 . . . . 0.0 112.52 179.596 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 29.7 m-85 -77.05 -19.14 57.52 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 177.124 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -152.98 116.15 0.72 Allowed Glycine 0 N--CA 1.445 -0.749 0 CA-C-N 114.898 -1.047 . . . . 0.0 111.762 -172.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 67.8 p -77.78 -22.48 50.08 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.187 0.518 . . . . 0.0 111.214 -176.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 37.7 m -112.63 116.68 30.55 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.866 -174.741 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -83.15 94.77 7.92 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-O 121.152 0.501 . . . . 0.0 110.796 178.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -133.57 -176.93 4.32 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.617 177.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -76.7 50.73 0.71 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.09 0.472 . . . . 0.0 111.231 -179.51 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 97.36 107.22 2.5 Favored Glycine 0 N--CA 1.443 -0.834 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.956 179.439 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -175.1 82.73 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 175.108 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 57.23 52.67 50.1 Favored Glycine 0 N--CA 1.448 -0.544 0 N-CA-C 111.266 -0.734 . . . . 0.0 111.266 -170.081 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . 0.464 HG23 ' O ' ' B' ' 22' ' ' SER . 0.2 OUTLIER -88.37 -62.94 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 N-CA-C 112.761 0.652 . . . . 0.0 112.761 -173.034 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -104.3 -179.5 3.96 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 110.225 -0.287 . . . . 0.0 110.225 -177.15 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.63 -49.48 75.03 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.954 0.407 . . . . 0.0 110.871 -178.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -137.86 39.39 1.6 Allowed Glycine 0 N--CA 1.447 -0.618 0 C-N-CA 120.88 -0.676 . . . . 0.0 111.575 -178.531 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 22' ' ' SER . . . . . 0.464 ' O ' HG23 ' B' ' 18' ' ' VAL . 6.9 m -151.51 123.55 8.15 Favored 'General case' 0 C--N 1.314 -0.948 0 CA-C-N 115.397 -0.401 . . . . 0.0 110.355 179.667 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -148.17 123.22 10.09 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.794 -177.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -81.9 -17.23 47.94 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.527 -177.636 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -68.66 -26.74 74.29 Favored Glycine 0 CA--C 1.51 -0.271 0 C-N-CA 120.564 -0.827 . . . . 0.0 111.772 179.688 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -76.33 1.67 15.54 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.62 0.724 . . . . 0.0 110.247 176.128 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . 0.462 HG23 ' CD1' ' B' ' 81' ' ' LEU . 2.8 t -112.22 -36.23 2.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 115.103 -0.953 . . . . 0.0 109.636 178.298 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 70.7 m-20 -77.24 -14.49 59.75 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.736 -0.666 . . . . 0.0 111.367 -174.11 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 74.5 ttt180 -82.28 -7.31 59.63 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.286 0.565 . . . . 0.0 110.086 178.27 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . 0.467 HD11 ' HB3' ' B' ' 81' ' ' LEU . 82.2 mt -72.43 -30.42 64.6 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.187 -177.263 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 9.6 p -80.15 12.27 2.96 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.523 -178.359 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 45.2 t -102.1 160.97 14.05 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.154 178.479 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.42 -18.53 65.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.886 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -55.79 -61.24 2.5 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.437 177.244 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 35' ' ' ALA . . . . . 0.588 ' O ' HG21 ' B' ' 39' ' ' VAL . . . -61.12 -49.55 76.81 Favored 'General case' 0 CA--C 1.516 -0.36 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.604 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -51.58 -35.54 41.71 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.895 -176.742 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 39.8 m -80.02 -16.9 54.15 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 112.11 0.411 . . . . 0.0 112.11 -178.763 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 38' ' ' ARG . . . . . 0.53 ' HD2' ' OE1' ' B' ' 82' ' ' GLU . 73.9 mtt180 -96.49 -49.11 5.28 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 122.041 0.924 . . . . 0.0 109.191 179.767 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . 0.588 HG21 ' O ' ' B' ' 35' ' ' ALA . 48.2 t -60.73 -43.96 96.24 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.807 0 CA-C-N 113.902 -1.499 . . . . 0.0 111.202 -176.549 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 40' ' ' SER . . . . . 0.459 ' HB2' ' HB3' ' A' ' 101' ' ' SER . 94.8 p -73.5 -8.8 57.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.973 0.416 . . . . 0.0 111.437 -177.68 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 31.7 t -95.28 -2.26 49.74 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.217 179.659 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 48.8 m-80 -125.81 0.53 7.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.864 0.364 . . . . 0.0 111.22 -179.527 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 43' ' ' ILE . . . . . 0.487 HG13 ' N ' ' B' ' 44' ' ' ALA . 6.3 pt -61.71 -41.44 90.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.193 179.041 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . 0.487 ' N ' HG13 ' B' ' 43' ' ' ILE . . . -77.21 -15.97 59.26 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.006 0.431 . . . . 0.0 110.904 -175.099 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -77.24 -50.86 11.97 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.296 0.569 . . . . 0.0 110.027 179.814 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 46' ' ' ILE . . . . . 0.408 HG21 ' HB3' ' B' ' 87' ' ' LEU . 29.8 mt -67.14 -32.08 56.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.188 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . 0.454 ' HB1' HD12 ' A' ' 96' ' ' ILE . . . -64.37 -25.63 68.11 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.342 178.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 68.7 m -103.6 -6.65 21.46 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 112.369 0.507 . . . . 0.0 112.369 -176.419 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -124.73 -32.54 0.81 Allowed Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.101 -1.047 . . . . 0.0 113.23 -177.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 78.56 -78.37 1.64 Allowed Glycine 0 N--CA 1.444 -0.782 0 N-CA-C 111.122 -0.791 . . . . 0.0 111.122 -177.607 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -117.33 -20.98 8.92 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 120.88 0.371 . . . . 0.0 110.912 -178.514 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 14.6 p -72.3 -16.49 61.9 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.027 -176.575 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -92.55 -15.72 26.62 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.114 -177.63 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 54' ' ' LEU . . . . . 0.411 ' N ' ' HD2' ' B' ' 55' ' ' PRO . 49.1 mt -53.42 -57.78 15.53 Favored Pre-proline 0 CA--C 1.534 0.356 0 N-CA-C 112.375 0.509 . . . . 0.0 112.375 -175.431 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 55' ' ' PRO . . . . . 0.411 ' HD2' ' N ' ' B' ' 54' ' ' LEU . 25.8 Cg_endo -62.93 -19.73 69.66 Favored 'Trans proline' 0 C--N 1.353 0.792 0 C-N-CA 122.221 1.947 . . . . 0.0 112.565 -176.748 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 14.9 m -91.88 -32.88 15.14 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.978 0.418 . . . . 0.0 111.039 -178.547 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 76.0 t -85.68 -37.46 11.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.403 -174.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 58' ' ' ILE . . . . . 0.483 HG12 HD21 ' B' ' 83' ' ' LEU . 70.3 mt -57.97 -41.85 81.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.291 176.028 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 18.6 t -67.06 -32.85 74.32 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.176 -177.669 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 88.7 m-20 -62.97 -51.43 66.9 Favored 'General case' 0 CA--C 1.519 -0.222 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.214 177.366 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . 0.401 ' O ' HG21 ' B' ' 65' ' ' VAL . 63.3 mt -73.96 -46.78 45.09 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-N 115.256 -0.883 . . . . 0.0 111.735 -176.027 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 62' ' ' TYR . . . . . 0.465 ' O ' HG22 ' B' ' 66' ' ' VAL . 42.1 t80 -55.08 -48.68 73.2 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.582 -0.281 . . . . 0.0 110.952 -177.626 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 33.3 t -61.63 -32.74 72.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.961 0.41 . . . . 0.0 110.471 179.338 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -71.67 -33.3 63.59 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.865 -0.683 . . . . 0.0 111.523 -179.602 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 65' ' ' VAL . . . . . 0.494 HG13 HG12 ' B' ' 70' ' ' VAL . 64.5 t -77.7 -45.82 27.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-O 120.774 0.321 . . . . 0.0 110.998 179.349 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 66' ' ' VAL . . . . . 0.465 HG22 ' O ' ' B' ' 62' ' ' TYR . 98.6 t -61.04 -30.27 47.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 120.912 0.387 . . . . 0.0 110.749 -178.809 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.57 -18.31 51.89 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 116.119 -0.491 . . . . 0.0 112.104 177.362 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 23.7 m -74.55 -19.17 60.44 Favored 'General case' 0 N--CA 1.448 -0.547 0 N-CA-C 112.057 0.391 . . . . 0.0 112.057 179.261 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 90.08 17.16 54.47 Favored Glycine 0 C--N 1.33 0.204 0 C-N-CA 120.586 -0.816 . . . . 0.0 111.473 -175.203 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . 0.494 HG12 HG13 ' B' ' 65' ' ' VAL . 13.1 p -70.58 163.31 3.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 115.233 -0.483 . . . . 0.0 110.413 179.249 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 42.6 t -60.21 138.72 57.87 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 173.746 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 24.4 t -57.97 -43.24 86.36 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.021 0.439 . . . . 0.0 110.999 -175.77 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -77.11 -28.45 54.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.468 -177.033 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -74.31 -32.47 62.87 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 176.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.35 -35.96 78.88 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.811 176.581 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -54.29 -50.72 66.66 Favored 'General case' 0 CA--C 1.519 -0.243 0 O-C-N 123.504 0.503 . . . . 0.0 109.682 176.417 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 77' ' ' ILE . . . . . 0.581 ' O ' ' HG ' ' B' ' 81' ' ' LEU . 36.3 mm -63.9 -53.91 38.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.9 -178.285 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 78' ' ' GLN . . . . . . . . . . . . . 41.3 tp60 -53.08 -49.4 66.48 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-O 120.906 0.384 . . . . 0.0 110.915 179.23 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.88 -42.24 97.54 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.904 -178.471 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 80' ' ' LEU . . . . . 0.652 ' O ' HD22 ' B' ' 84' ' ' LEU . 2.1 mm? -62.05 -45.74 92.21 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.784 177.198 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . 0.581 ' HG ' ' O ' ' B' ' 77' ' ' ILE . 24.6 mt -67.55 -38.23 83.85 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 120.503 0.192 . . . . 0.0 111.387 -176.237 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 82' ' ' GLU . . . . . 0.53 ' OE1' ' HD2' ' B' ' 38' ' ' ARG . 43.3 mt-10 -59.82 -40.61 89.0 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.068 0.461 . . . . 0.0 110.081 172.21 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 83' ' ' LEU . . . . . 0.483 HD21 HG12 ' B' ' 58' ' ' ILE . 39.2 tp -63.15 -46.31 87.81 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 175.684 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 84' ' ' LEU . . . . . 0.652 HD22 ' O ' ' B' ' 80' ' ' LEU . 4.0 mm? -62.17 -12.29 19.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.552 -179.029 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 85' ' ' SER . . . . . 0.452 ' OG ' HG12 ' A' ' 111' ' ' VAL . 23.3 m -92.86 -29.03 16.15 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 120.84 0.353 . . . . 0.0 110.661 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -73.26 -43.78 60.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.479 0.657 . . . . 0.0 110.488 -177.008 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 87' ' ' LEU . . . . . 0.455 HD11 ' N ' ' B' ' 88' ' ' VAL . 1.4 pp -80.86 -18.72 46.4 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.335 -0.848 . . . . 0.0 113.161 -171.342 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 88' ' ' VAL . . . . . 0.455 ' N ' HD11 ' B' ' 87' ' ' LEU . 16.6 m -89.83 -26.88 5.25 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.261 0 C-N-CA 120.151 -0.62 . . . . 0.0 110.561 176.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 89' ' ' HIS . . . . . . . . . . . . . 71.4 t60 -65.41 -38.55 90.3 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.013 178.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 90' ' ' VAL . . . . . . . . . . . . . 33.2 m -64.61 -26.46 40.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.538 -175.132 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -66.3 -22.04 66.28 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.09 179.519 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 34.7 t -66.19 -20.42 66.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.771 0.319 . . . . 0.0 110.973 -179.104 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 49.9 m -128.19 15.59 6.72 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-O 121.475 0.655 . . . . 0.0 110.565 177.613 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -106.72 102.28 11.67 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.384 177.791 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 13.3 t -77.44 82.82 3.88 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.219 0.533 . . . . 0.0 109.584 179.647 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 96' ' ' ILE . . . . . 0.457 HD13 ' HB3' ' A' ' 47' ' ' ALA . 15.3 tt -64.87 146.31 13.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 115.547 -0.751 . . . . 0.0 111.14 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 97' ' ' GLY . . . . . . . . . . . . . . . -89.34 -102.46 1.06 Allowed Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 120.546 -0.835 . . . . 0.0 111.314 176.814 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 98' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -131.05 135.21 47.36 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 110.121 -0.326 . . . . 0.0 110.121 175.698 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 99' ' ' VAL . . . . . 0.513 HG12 ' HB2' ' A' ' 93' ' ' SER . 8.1 m -114.72 131.34 67.16 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.53 178.398 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 100' ' ' SER . . . . . . . . . . . . . 42.7 m -100.04 156.42 17.18 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.281 -179.676 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 17.7 m -79.38 23.98 0.37 Allowed 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.011 0.434 . . . . 0.0 112.039 -175.313 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 5.3 p -114.93 124.81 71.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-O 121.175 0.512 . . . . 0.0 110.574 -176.463 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . 114.3 -15.67 20.27 Favored Glycine 0 N--CA 1.45 -0.43 0 CA-C-N 115.617 -0.719 . . . . 0.0 112.356 177.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 104' ' ' VAL . . . . . 0.404 ' O ' HD11 ' B' ' 108' ' ' LEU . 38.4 t -60.85 -31.79 50.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 N-CA-C 110.087 -0.338 . . . . 0.0 110.087 178.294 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -51.01 -40.7 58.81 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.122 176.551 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 20.0 m -84.35 -36.08 22.77 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.537 -0.756 . . . . 0.0 111.56 -178.134 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 25.9 m -61.66 -32.53 72.71 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.198 0.523 . . . . 0.0 110.505 178.653 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 108' ' ' LEU . . . . . 0.638 ' O ' HG11 ' B' ' 111' ' ' VAL . 4.1 mt -61.18 -38.15 85.47 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.208 176.419 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 109' ' ' ASN . . . . . . . . . . . . . 20.0 m-80 -64.09 -22.88 67.11 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.987 0.422 . . . . 0.0 111.12 178.667 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 110' ' ' VAL . . . . . . . . . . . . . 40.0 t -84.16 -38.26 13.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.616 -179.313 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 111' ' ' VAL . . . . . 0.638 HG11 ' O ' ' B' ' 108' ' ' LEU . 8.0 p -66.52 -28.32 42.98 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.183 0 CA-C-O 121.321 0.581 . . . . 0.0 110.25 -179.384 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 112' ' ' GLN . . . . . 0.549 ' HG3' ' O ' ' B' ' 108' ' ' LEU . 24.9 mt-30 -70.29 -24.6 63.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.652 179.33 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 113' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -82.87 -29.02 29.66 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.227 -0.897 . . . . 0.0 110.635 -173.274 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 12.1 p -88.46 -41.82 12.52 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.749 -0.659 . . . . 0.0 112.234 -173.678 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 115' ' ' VAL . . . . . 0.494 HG12 ' O ' ' B' ' 111' ' ' VAL . 11.1 p -104.9 -19.97 6.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 120.932 0.396 . . . . 0.0 111.151 -173.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 116' ' ' GLY . . . . . . . . . . . . . . . -63.22 -18.72 60.9 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 121.193 -0.527 . . . . 0.0 112.838 -176.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -93.83 4.12 54.4 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.709 0.29 . . . . 0.0 111.209 179.793 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 118' ' ' TYR . . . . . . . . . . . . . 82.1 m-85 -116.11 -29.43 6.29 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.919 0.39 . . . . 0.0 110.406 177.774 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 119' ' ' VAL . . . . . 0.468 ' O ' ' HB3' ' A' ' 22' ' ' SER . 35.9 m -88.86 -0.58 8.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.866 176.875 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.51 -1.161 . . . . 0.0 111.409 178.791 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.76 0 N-CA-C 111.946 -0.462 . . . . 0.0 111.946 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 49.6 m -148.9 128.55 13.22 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.831 0.348 . . . . 0.0 110.642 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . 154.3 117.72 0.64 Allowed Glycine 0 N--CA 1.449 -0.448 0 N-CA-C 111.479 -0.648 . . . . 0.0 111.479 177.675 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' -2' ' ' ASN . . . . . . . . . . . . . 24.0 p-10 -145.21 122.15 11.33 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.232 0.539 . . . . 0.0 111.014 -177.705 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' -1' ' ' SER . . . . . 0.581 ' O ' ' HA ' ' B' ' -4' ' ' SER . 14.0 p -169.45 131.96 1.2 Allowed 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.581 179.106 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 19.3 m -131.56 150.74 34.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-O 120.715 0.293 . . . . 0.0 111.286 -177.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.2 p -85.75 92.97 8.76 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.211 174.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.5 m -71.51 144.29 49.68 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.461 -173.035 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -163.91 -135.37 1.81 Allowed Glycine 0 N--CA 1.444 -0.821 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.826 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -102.26 60.59 0.54 Allowed Glycine 0 N--CA 1.447 -0.624 0 C-N-CA 120.897 -0.668 . . . . 0.0 112.344 178.509 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 32.0 p90 -145.56 179.16 7.61 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.648 0.261 . . . . 0.0 110.619 179.624 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 135.89 -153.2 21.31 Favored Glycine 0 N--CA 1.447 -0.588 0 N-CA-C 111.35 -0.7 . . . . 0.0 111.35 -179.517 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 33.4 m-85 -82.56 -22.34 34.96 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.281 0.562 . . . . 0.0 110.055 177.21 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -114.39 55.7 0.52 Allowed Glycine 0 N--CA 1.442 -0.95 0 CA-C-N 115.573 -0.739 . . . . 0.0 111.58 178.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 14.8 p -53.74 -56.59 16.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.408 0.623 . . . . 0.0 110.044 176.208 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 60.0 m -128.83 126.92 40.85 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.281 -0.872 . . . . 0.0 109.082 171.498 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -74.11 81.12 1.75 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.281 0.562 . . . . 0.0 111.474 -177.592 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -158.69 18.87 0.21 Allowed 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.203 -0.908 . . . . 0.0 109.863 177.384 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -121.54 -175.3 3.05 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.642 -177.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -165.73 83.09 0.1 Allowed Glycine 0 N--CA 1.446 -0.694 0 C-N-CA 120.433 -0.889 . . . . 0.0 112.969 -177.653 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -176.23 95.39 0.06 Allowed 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 174.196 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 62.12 34.8 90.22 Favored Glycine 0 CA--C 1.521 0.464 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.209 -174.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 2.5 m -71.62 -33.88 50.56 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.293 0 CA-C-O 120.882 0.372 . . . . 0.0 111.936 -176.514 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.417 ' HB3' ' HB2' ' A' ' 22' ' ' SER . . . -132.99 -176.8 4.24 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.187 -0.46 . . . . 0.0 109.967 179.533 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -67.58 -48.01 68.1 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.153 -177.729 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -131.27 11.27 5.56 Favored Glycine 0 CA--C 1.507 -0.413 0 C-N-CA 120.768 -0.73 . . . . 0.0 111.978 -178.453 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.463 ' HB3' ' O ' ' B' ' 119' ' ' VAL . 21.3 m -121.3 128.25 52.13 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.6 -0.3 . . . . 0.0 110.857 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -146.97 127.61 14.22 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 116.089 -0.505 . . . . 0.0 109.786 179.048 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -86.81 -15.3 39.65 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.686 -176.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.462 ' HA2' HD22 ' A' ' 28' ' ' ASN . . . -66.62 -31.68 79.28 Favored Glycine 0 CA--C 1.509 -0.297 0 C-N-CA 121.008 -0.615 . . . . 0.0 112.37 -178.877 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.471 ' HB1' ' HB2' ' A' ' 78' ' ' GLN . . . -71.76 -11.27 60.74 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.108 0.48 . . . . 0.0 110.583 179.35 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.1 t -98.1 -47.43 12.42 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.46 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.119 -172.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.462 HD22 ' HA2' ' A' ' 25' ' ' GLY . 7.2 p30 -77.75 2.72 16.1 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 120.212 -0.595 . . . . 0.0 111.655 -175.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 78.9 ttt180 -90.04 -12.92 37.11 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.537 0.684 . . . . 0.0 110.081 175.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.511 ' HB3' HD12 ' B' ' 108' ' ' LEU . 69.4 mt -70.95 -24.1 62.36 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.714 -174.594 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 23.2 t -72.73 -8.43 55.34 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.223 0.535 . . . . 0.0 110.274 -178.751 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 46.4 m -82.63 159.95 22.58 Favored 'General case' 0 N--CA 1.443 -0.797 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.05 176.54 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.74 -18.92 61.65 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 111.873 0.323 . . . . 0.0 111.873 -178.175 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -52.35 -59.23 4.66 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.082 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.672 ' O ' HG22 ' A' ' 39' ' ' VAL . . . -60.67 -57.17 13.83 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.592 179.104 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.96 -32.73 21.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 112.025 -175.774 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 22.3 t -73.93 -20.63 60.32 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.513 -178.731 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.536 ' HD2' ' OE1' ' A' ' 82' ' ' GLU . 56.2 mtt180 -100.82 -45.05 5.58 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.646 0.736 . . . . 0.0 109.469 -179.22 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.672 HG22 ' O ' ' A' ' 35' ' ' ALA . 28.1 t -58.95 -45.05 92.24 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 114.481 -1.236 . . . . 0.0 110.965 -177.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.466 ' HB2' ' CB ' ' B' ' 101' ' ' SER . 92.6 p -72.82 -13.19 61.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.874 0.369 . . . . 0.0 111.341 -177.675 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 12.3 t -89.72 -6.94 55.57 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.004 0.43 . . . . 0.0 110.255 -178.049 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 39.0 m-80 -122.41 -2.31 9.01 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.539 -176.557 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.49 HG13 ' N ' ' A' ' 44' ' ' ALA . 5.0 pt -60.43 -39.73 81.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.074 178.734 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.49 ' N ' HG13 ' A' ' 43' ' ' ILE . . . -80.05 -8.17 59.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.041 0.448 . . . . 0.0 111.008 -177.482 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -87.13 -50.51 6.57 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.123 179.263 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.405 ' HA ' ' CB ' ' A' ' 53' ' ' ALA . 39.0 mt -66.23 -34.21 68.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.361 179.582 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.42 ' HB1' HD11 ' B' ' 96' ' ' ILE . . . -62.5 -18.73 62.55 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.976 -0.557 . . . . 0.0 111.595 178.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 36.1 t -93.83 -46.97 6.96 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.157 -177.704 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -94.33 -22.79 23.73 Favored Glycine 0 CA--C 1.517 0.204 0 C-N-CA 120.26 -0.971 . . . . 0.0 113.427 -174.302 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 75.2 -75.16 1.37 Allowed Glycine 0 N--CA 1.45 -0.393 0 N-CA-C 111.534 -0.626 . . . . 0.0 111.534 -177.445 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -115.76 -27.51 7.02 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.189 0.519 . . . . 0.0 110.294 179.382 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 6.7 m -69.36 -12.7 61.89 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.665 -179.309 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.405 ' CB ' ' HA ' ' A' ' 46' ' ' ILE . . . -89.27 -15.43 33.54 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.72 -178.443 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 65.3 mt -57.95 -56.16 37.58 Favored Pre-proline 0 CA--C 1.539 0.525 0 CA-C-N 116.146 -0.479 . . . . 0.0 112.071 -177.668 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 30.6 Cg_endo -67.29 -5.29 13.49 Favored 'Trans proline' 0 C--N 1.355 0.879 0 C-N-CA 122.195 1.93 . . . . 0.0 112.813 -178.373 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 10.9 m -98.92 -47.55 5.22 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.312 0.577 . . . . 0.0 110.015 175.728 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 78.3 t -77.43 -40.91 29.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.925 -172.525 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.47 HG12 ' HG ' ' A' ' 83' ' ' LEU . 54.8 mt -58.13 -43.01 84.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.099 176.851 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 69.6 m -72.13 -25.28 61.66 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.329 -0.85 . . . . 0.0 110.853 -178.252 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 -70.69 -52.86 18.27 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.044 0.45 . . . . 0.0 110.451 175.391 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 63.8 mt -70.41 -43.71 77.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.811 -175.567 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.433 ' O ' HG21 ' A' ' 66' ' ' VAL . 69.0 t80 -54.47 -48.01 72.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.168 -178.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 43.9 t -57.52 -36.79 72.03 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.134 0.492 . . . . 0.0 110.432 178.464 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -70.11 -36.36 71.92 Favored Glycine 0 N--CA 1.45 -0.426 0 CA-C-N 115.551 -0.75 . . . . 0.0 111.919 -177.059 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.433 HG12 HG13 ' A' ' 70' ' ' VAL . 66.0 t -74.46 -44.48 47.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 115.611 -0.294 . . . . 0.0 110.874 -179.872 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.433 HG21 ' O ' ' A' ' 62' ' ' TYR . 91.9 t -61.72 -42.57 94.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.36 -177.848 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -69.63 -3.81 16.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.811 -179.354 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 35.5 t -85.54 -11.91 52.95 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.11 179.783 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 90.54 36.64 6.84 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.284 -0.96 . . . . 0.0 112.143 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.433 HG13 HG12 ' A' ' 65' ' ' VAL . 14.5 p -94.01 161.39 2.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 176.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 45.3 t -61.97 147.84 45.71 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.711 0.291 . . . . 0.0 110.292 176.821 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 6.7 m -53.98 -57.84 9.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.014 -0.539 . . . . 0.0 112.258 -173.311 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -76.67 -26.96 55.37 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.079 0.466 . . . . 0.0 110.258 -174.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -70.86 -28.79 64.84 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.261 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.1 -39.87 87.66 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.681 -0.69 . . . . 0.0 111.393 177.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -54.28 -48.35 71.32 Favored 'General case' 0 CA--C 1.519 -0.233 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 177.815 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.705 ' O ' ' HG ' ' A' ' 81' ' ' LEU . 30.6 mm -63.61 -56.03 19.31 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 CA-C-N 115.343 -0.844 . . . . 0.0 111.313 -176.899 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . 0.471 ' HB2' ' HB1' ' A' ' 26' ' ' ALA . 52.0 tt0 -55.69 -48.71 74.64 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-O 120.895 0.379 . . . . 0.0 110.918 -178.833 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.46 -37.98 82.72 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.158 -179.282 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.519 ' O ' HD23 ' A' ' 84' ' ' LEU . 2.6 mm? -68.13 -35.05 77.49 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-O 120.697 0.284 . . . . 0.0 111.016 175.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.705 ' HG ' ' O ' ' A' ' 77' ' ' ILE . 65.7 mt -69.06 -37.2 78.4 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.058 0.456 . . . . 0.0 110.452 179.139 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.536 ' OE1' ' HD2' ' A' ' 38' ' ' ARG . 55.8 mt-10 -73.69 -17.28 61.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.293 0.568 . . . . 0.0 110.58 175.422 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.47 ' HG ' HG12 ' A' ' 58' ' ' ILE . 3.4 tm? -84.63 -43.09 14.74 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.993 -0.548 . . . . 0.0 109.73 176.338 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.519 HD23 ' O ' ' A' ' 80' ' ' LEU . 3.7 mm? -69.69 -3.63 16.07 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.517 -0.765 . . . . 0.0 112.334 -176.653 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.446 ' CB ' HD11 ' B' ' 108' ' ' LEU . 0.9 OUTLIER -101.61 -32.08 10.52 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 120.759 0.314 . . . . 0.0 111.189 -179.768 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -66.69 -44.7 81.02 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.265 0.555 . . . . 0.0 110.96 -177.618 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.481 HD11 ' N ' ' A' ' 88' ' ' VAL . 1.0 OUTLIER -78.95 -21.05 47.77 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.605 -0.725 . . . . 0.0 112.76 -173.097 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.481 ' N ' HD11 ' A' ' 87' ' ' LEU . 17.2 m -87.87 -25.78 5.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 C-N-CA 120.32 -0.552 . . . . 0.0 110.634 178.367 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 69.1 t60 -69.48 -35.57 75.7 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.486 179.189 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.423 ' HB ' ' CD1' ' B' ' 96' ' ' ILE . 25.7 m -66.7 -28.92 44.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.484 -175.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.45 ' HA ' ' HB1' ' A' ' 94' ' ' ALA . 3.0 mm? -61.22 -28.52 69.21 Favored 'General case' 0 CA--C 1.52 -0.178 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.987 178.89 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 66.9 m -54.96 -33.27 62.19 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.824 -0.626 . . . . 0.0 111.588 -179.416 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 10.7 t -119.12 10.85 12.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.503 0.668 . . . . 0.0 110.003 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . 0.45 ' HB1' ' HA ' ' A' ' 91' ' ' LEU . . . -98.5 98.39 9.58 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.782 -0.645 . . . . 0.0 109.874 177.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 25.9 t -71.56 86.58 0.89 Allowed 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.918 -0.583 . . . . 0.0 109.764 178.35 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.445 HD13 ' HB3' ' B' ' 47' ' ' ALA . 15.7 tt -65.53 140.65 19.29 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.383 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.84 178.297 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -86.43 -88.83 0.99 Allowed Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.4 -179.153 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 9.5 t30 -144.87 117.18 8.46 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.725 0.298 . . . . 0.0 110.488 -179.784 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 2.8 m -106.58 161.62 5.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.704 178.344 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 36.5 m -148.91 161.9 40.94 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 -179.498 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' SER . . . . . 0.436 ' HB3' ' HB2' ' B' ' 40' ' ' SER . 16.3 m -77.18 41.14 0.29 Allowed 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.019 0.438 . . . . 0.0 111.545 -176.003 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 56.4 t -114.76 112.33 39.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.846 -175.277 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 100.26 0.12 55.87 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.753 -0.737 . . . . 0.0 113.71 175.458 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.404 ' O ' HD22 ' A' ' 108' ' ' LEU . 11.1 t -62.54 -31.23 51.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 117.253 0.527 . . . . 0.0 110.559 -179.188 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -50.05 -44.2 51.43 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-O 121.388 0.613 . . . . 0.0 110.717 177.572 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 20.0 m -74.49 -25.47 59.39 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.637 -0.71 . . . . 0.0 111.507 -178.208 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 20.5 m -70.29 -38.45 75.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.918 0.389 . . . . 0.0 110.208 -179.631 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.575 ' O ' HG13 ' A' ' 111' ' ' VAL . 4.5 mm? -58.37 -33.52 69.68 Favored 'General case' 0 C--O 1.223 -0.328 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.801 177.618 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 14.5 m-80 -71.35 -23.17 61.86 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.868 -178.756 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 38.9 t -86.56 -36.91 10.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-O 120.756 0.312 . . . . 0.0 110.762 -177.37 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.575 HG13 ' O ' ' A' ' 108' ' ' LEU . 9.4 p -63.42 -28.28 44.7 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.337 0 CA-C-O 121.423 0.63 . . . . 0.0 110.611 -178.669 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . 0.549 ' HG3' ' O ' ' A' ' 108' ' ' LEU . 22.7 mt-30 -67.5 -21.02 65.52 Favored 'General case' 0 CA--C 1.518 -0.265 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.947 -179.238 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -79.02 -39.83 32.99 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.583 -177.159 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 5.3 m -77.02 -44.94 28.98 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.131 -0.941 . . . . 0.0 111.934 -170.561 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . 0.481 HG11 HD22 ' B' ' 81' ' ' LEU . 12.8 p -106.48 -18.16 7.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 121.09 0.471 . . . . 0.0 111.376 -172.827 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -63.52 -17.0 59.37 Favored Glycine 0 CA--C 1.517 0.21 0 CA-C-N 116.078 -0.51 . . . . 0.0 113.193 -177.291 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -92.54 1.98 56.95 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.829 0.315 . . . . 0.0 111.239 179.589 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 79.6 m-85 -113.79 -36.72 4.75 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.241 0.543 . . . . 0.0 109.685 178.678 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 33.9 m -84.44 -3.54 8.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.913 178.579 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.57 0 C-N-CA 121.01 -0.614 . . . . 0.0 111.611 179.904 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.398 0 N-CA-C 112.163 -0.375 . . . . 0.0 112.163 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' -4' ' ' SER . . . . . 0.581 ' HA ' ' O ' ' A' ' -1' ' ' SER . 50.3 m -139.97 127.98 22.21 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.154 0.502 . . . . 0.0 111.245 178.379 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' -3' ' ' GLY . . . . . . . . . . . . . . . -175.63 157.74 24.33 Favored Glycine 0 N--CA 1.448 -0.554 0 N-CA-C 110.701 -0.96 . . . . 0.0 110.701 -179.272 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' -2' ' ' ASN . . . . . . . . . . . . . 4.5 p-10 -137.53 124.91 21.9 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 117.342 0.571 . . . . 0.0 111.371 -176.137 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' -1' ' ' SER . . . . . . . . . . . . . 13.1 p -165.97 101.45 0.66 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.511 175.477 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 31.1 m -129.13 150.55 34.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.478 178.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 7.9 p -96.46 82.28 3.36 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.357 0.599 . . . . 0.0 111.871 -177.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 19.3 m -100.7 107.11 18.64 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.075 176.592 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -115.87 -111.95 2.78 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.255 -178.528 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -76.16 -5.13 80.36 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 121.087 -0.578 . . . . 0.0 112.502 179.754 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 6' ' ' TYR . . . . . . . . . . . . . 54.2 p90 -132.03 148.98 52.53 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.8 -0.445 . . . . 0.0 109.8 178.043 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -169.4 -125.14 0.78 Allowed Glycine 0 N--CA 1.446 -0.651 0 C-N-CA 120.85 -0.69 . . . . 0.0 111.652 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -71.05 -42.14 69.84 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.242 0.544 . . . . 0.0 109.578 179.434 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -118.08 99.29 0.8 Allowed Glycine 0 N--CA 1.445 -0.701 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.693 177.806 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 39.5 p -83.11 -20.48 34.76 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.099 0.476 . . . . 0.0 111.18 -177.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 69.6 m -141.66 139.21 32.94 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.804 -0.634 . . . . 0.0 109.572 177.714 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -88.72 0.16 56.73 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.936 0.398 . . . . 0.0 111.492 -175.218 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -86.17 -9.16 57.11 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.657 176.809 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -88.09 163.0 16.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.387 178.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . -162.35 94.21 0.12 Allowed Glycine 0 N--CA 1.443 -0.858 0 C-N-CA 119.891 -1.147 . . . . 0.0 113.653 -177.162 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . 175.45 91.43 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 123.54 0.736 . . . . 0.0 109.292 174.356 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 55.17 53.33 41.19 Favored Glycine 0 N--CA 1.453 -0.191 0 C-N-CA 120.747 -0.739 . . . . 0.0 111.684 -172.293 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 2.6 m -88.6 -42.52 14.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 N-CA-C 111.968 0.359 . . . . 0.0 111.968 -175.636 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -126.61 -179.94 5.03 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 110.037 -0.357 . . . . 0.0 110.037 -178.761 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.55 -53.04 54.1 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.95 0.405 . . . . 0.0 110.925 -179.02 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -131.42 39.54 1.76 Allowed Glycine 0 N--CA 1.448 -0.528 0 C-N-CA 120.924 -0.655 . . . . 0.0 111.619 -178.012 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 6.4 m -152.39 124.98 8.32 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.349 -0.426 . . . . 0.0 110.3 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 23' ' ' TYR . . . . . 0.529 ' CE1' ' HA ' ' B' ' 74' ' ' GLU . 0.1 OUTLIER -148.8 119.32 7.41 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.084 -0.507 . . . . 0.0 109.889 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -79.99 -11.99 59.74 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.823 179.395 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . 0.454 ' HA2' ' ND2' ' B' ' 28' ' ' ASN . . . -66.24 -34.25 87.54 Favored Glycine 0 CA--C 1.505 -0.575 0 N-CA-C 111.541 -0.624 . . . . 0.0 111.541 176.793 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 26' ' ' ALA . . . . . 0.405 ' HB2' ' HB2' ' B' ' 78' ' ' GLN . . . -75.43 1.61 13.55 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.037 0.446 . . . . 0.0 110.887 178.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . 0.466 ' O ' ' HG ' ' B' ' 30' ' ' LEU . 2.3 t -114.8 -48.93 4.98 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.494 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.9 -177.872 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 28' ' ' ASN . . . . . 0.454 ' ND2' ' HA2' ' B' ' 25' ' ' GLY . 9.1 p30 -75.46 -4.68 41.01 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.303 -0.559 . . . . 0.0 110.966 -175.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 78.9 ttt180 -91.65 -4.31 55.35 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.377 0.608 . . . . 0.0 110.034 175.778 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . 0.466 ' HG ' ' O ' ' B' ' 27' ' ' VAL . 84.6 mt -70.04 -33.71 72.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.168 -178.414 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 32.8 t -71.1 -6.18 37.3 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.64 -178.265 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 70.8 m -77.2 151.78 35.06 Favored 'General case' 0 N--CA 1.442 -0.841 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.58 176.78 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.31 -23.07 62.14 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.309 -179.265 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -49.71 -56.17 11.17 Favored 'General case' 0 CA--C 1.515 -0.384 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.031 177.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 35' ' ' ALA . . . . . 0.548 ' O ' HG22 ' B' ' 39' ' ' VAL . . . -68.37 -56.01 9.98 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.686 -178.611 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -48.38 -40.38 25.51 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 112.419 0.526 . . . . 0.0 112.419 -175.462 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 23.9 t -67.78 -28.53 67.68 Favored 'General case' 0 CA--C 1.538 0.49 0 N-CA-C 111.787 0.291 . . . . 0.0 111.787 -178.48 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 44.7 mtm105 -96.05 -39.43 9.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.285 0.564 . . . . 0.0 109.98 -176.641 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . 0.548 HG22 ' O ' ' B' ' 35' ' ' ALA . 67.8 t -59.77 -41.93 87.13 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-N 115.103 -0.953 . . . . 0.0 110.53 176.881 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 40' ' ' SER . . . . . 0.455 ' O ' HG12 ' B' ' 43' ' ' ILE . 93.7 p -76.71 -8.32 57.04 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.714 -177.681 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 23.1 t -93.82 -6.28 46.22 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.351 0.596 . . . . 0.0 109.788 178.503 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 39.7 m-80 -118.93 -4.05 10.67 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.869 -177.612 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 43' ' ' ILE . . . . . 0.524 HG13 ' N ' ' B' ' 44' ' ' ALA . 5.8 pt -60.32 -39.64 81.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 121.039 0.447 . . . . 0.0 110.746 176.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . 0.524 ' N ' HG13 ' B' ' 43' ' ' ILE . . . -82.05 -3.83 55.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.69 -176.367 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -92.16 -53.1 4.38 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.221 178.747 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 44.5 mt -63.35 -37.13 78.71 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.392 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . 0.445 ' HB3' HD13 ' A' ' 96' ' ' ILE . . . -61.02 -25.45 66.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.142 0.496 . . . . 0.0 111.642 -179.296 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 27.3 t -97.69 -7.35 31.06 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.471 -175.472 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -121.11 -32.65 1.04 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.372 -0.918 . . . . 0.0 112.899 -177.539 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 81.95 -71.29 2.98 Favored Glycine 0 N--CA 1.446 -0.687 0 N-CA-C 111.658 -0.577 . . . . 0.0 111.658 -178.221 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -126.74 -28.28 2.99 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.662 0.267 . . . . 0.0 111.199 -179.145 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 34.4 p -74.01 -7.77 53.68 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.168 0.508 . . . . 0.0 110.954 -177.616 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -88.82 -17.65 29.31 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.632 178.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 54' ' ' LEU . . . . . 0.449 ' N ' ' HD2' ' B' ' 55' ' ' PRO . 28.6 mt -56.11 -57.05 24.66 Favored Pre-proline 0 CA--C 1.534 0.346 0 CA-C-N 116.301 -0.409 . . . . 0.0 112.04 -178.008 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 55' ' ' PRO . . . . . 0.449 ' HD2' ' N ' ' B' ' 54' ' ' LEU . 20.9 Cg_endo -61.77 -16.11 46.75 Favored 'Trans proline' 0 C--N 1.35 0.645 0 C-N-CA 122.274 1.982 . . . . 0.0 112.493 -176.869 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 6.3 m -94.05 -45.23 7.67 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.498 179.23 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 68.1 t -76.89 -40.49 31.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.582 -173.774 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 58' ' ' ILE . . . . . 0.5 HG12 ' HG ' ' B' ' 83' ' ' LEU . 73.3 mt -59.1 -35.24 56.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.444 175.178 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 17.6 t -69.64 -44.02 71.44 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-N 115.501 -0.772 . . . . 0.0 109.972 -179.371 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 89.3 m-20 -58.39 -49.46 77.16 Favored 'General case' 0 CA--C 1.52 -0.21 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.672 179.635 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . 0.472 ' O ' HG23 ' B' ' 65' ' ' VAL . 63.5 mt -70.62 -48.1 60.57 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-N 115.347 -0.842 . . . . 0.0 111.606 -177.049 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 62' ' ' TYR . . . . . 0.423 ' O ' HG23 ' B' ' 66' ' ' VAL . 58.0 t80 -53.81 -51.53 63.21 Favored 'General case' 0 N--CA 1.465 0.314 0 O-C-N 123.151 0.282 . . . . 0.0 111.356 -178.387 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 10.0 t -60.34 -33.18 72.04 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.232 0.539 . . . . 0.0 110.148 -178.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -71.9 -32.12 63.96 Favored Glycine 0 N--CA 1.451 -0.33 0 CA-C-N 115.75 -0.659 . . . . 0.0 112.069 -179.255 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 65' ' ' VAL . . . . . 0.472 HG23 ' O ' ' B' ' 61' ' ' ILE . 60.6 t -78.03 -43.3 28.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-O 120.889 0.376 . . . . 0.0 110.598 179.566 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 66' ' ' VAL . . . . . 0.423 HG23 ' O ' ' B' ' 62' ' ' TYR . 92.2 t -61.58 -40.29 86.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.122 -178.449 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -66.55 -13.92 61.63 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-O 120.905 0.383 . . . . 0.0 111.828 179.515 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 34.8 t -76.72 -18.15 58.67 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.121 -178.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 94.69 39.33 4.7 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.332 -0.937 . . . . 0.0 111.953 -177.541 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . 0.464 HG13 HG11 ' B' ' 65' ' ' VAL . 14.1 p -93.54 162.46 2.4 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 176.636 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 34.7 t -64.33 141.92 58.6 Favored 'General case' 0 N--CA 1.451 -0.393 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 174.747 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 8.7 m -52.65 -45.55 66.77 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 112.562 0.579 . . . . 0.0 112.562 -173.068 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -85.09 -23.8 28.35 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.725 -0.39 . . . . 0.0 110.7 -176.451 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 74' ' ' GLU . . . . . 0.529 ' HA ' ' CE1' ' B' ' 23' ' ' TYR . 39.9 tt0 -71.92 -29.89 64.78 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-O 121.181 0.515 . . . . 0.0 109.772 178.261 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -57.51 -38.06 74.02 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-N 115.348 -0.842 . . . . 0.0 111.397 177.331 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 76' ' ' LEU . . . . . 0.442 HD22 ' HB3' ' B' ' 118' ' ' TYR . 2.6 tm? -55.88 -51.4 67.71 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.045 0.45 . . . . 0.0 109.827 179.617 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 77' ' ' ILE . . . . . 0.628 ' O ' ' HG ' ' B' ' 81' ' ' LEU . 35.5 mm -62.19 -52.7 57.14 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 115.562 -0.745 . . . . 0.0 111.099 -176.197 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 78' ' ' GLN . . . . . 0.405 ' HB2' ' HB2' ' B' ' 26' ' ' ALA . 29.9 tt0 -57.95 -47.99 81.26 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 121.017 -0.273 . . . . 0.0 110.648 179.68 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -59.19 -41.46 88.55 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.914 0.388 . . . . 0.0 110.903 -178.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 80' ' ' LEU . . . . . 0.683 ' O ' ' HG ' ' B' ' 84' ' ' LEU . 3.6 mm? -67.18 -43.52 81.97 Favored 'General case' 0 C--O 1.22 -0.451 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.249 178.273 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . 0.628 ' HG ' ' O ' ' B' ' 77' ' ' ILE . 13.3 mt -66.23 -41.74 89.64 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.926 0.393 . . . . 0.0 111.261 -176.717 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 91.6 mt-10 -63.43 -37.0 85.59 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.403 0.621 . . . . 0.0 109.882 174.427 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 83' ' ' LEU . . . . . 0.5 ' HG ' HG12 ' B' ' 58' ' ' ILE . 3.4 tm? -62.31 -44.46 96.47 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.121 175.888 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 84' ' ' LEU . . . . . 0.683 ' HG ' ' O ' ' B' ' 80' ' ' LEU . 14.0 mt -63.1 -17.92 62.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.852 -178.087 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 27.8 m -89.38 -30.39 18.41 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 120.788 0.327 . . . . 0.0 110.75 -175.47 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -68.59 -42.91 77.55 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.311 0.576 . . . . 0.0 110.558 -177.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 87' ' ' LEU . . . . . 0.544 HD12 ' N ' ' B' ' 88' ' ' VAL . 1.8 pp -81.2 -25.46 36.73 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 112.885 0.698 . . . . 0.0 112.885 -172.126 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 88' ' ' VAL . . . . . 0.544 ' N ' HD12 ' B' ' 87' ' ' LEU . 17.8 m -83.7 -22.16 8.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 C-N-CA 120.243 -0.583 . . . . 0.0 110.509 176.672 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 89' ' ' HIS . . . . . . . . . . . . . 72.1 t60 -68.71 -39.72 80.31 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.202 178.299 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 90' ' ' VAL . . . . . 0.543 HG22 ' O ' ' B' ' 87' ' ' LEU . 17.7 m -62.51 -26.57 40.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.533 -175.872 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 91' ' ' LEU . . . . . 0.456 ' HA ' ' HB1' ' B' ' 94' ' ' ALA . 3.0 mm? -63.11 -23.38 67.42 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.239 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 27.9 t -58.19 -31.24 67.11 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.884 178.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 63.9 m -125.53 20.6 7.92 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-O 121.159 0.504 . . . . 0.0 110.698 179.027 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 94' ' ' ALA . . . . . 0.456 ' HB1' ' HA ' ' B' ' 91' ' ' LEU . . . -110.62 99.38 8.35 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.407 177.546 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 8.6 t -76.57 85.43 3.25 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.202 -0.454 . . . . 0.0 109.92 179.549 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 96' ' ' ILE . . . . . 0.423 ' CD1' ' HB ' ' A' ' 90' ' ' VAL . 15.2 tt -65.48 137.67 24.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.876 179.268 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 97' ' ' GLY . . . . . . . . . . . . . . . -84.34 -88.01 0.85 Allowed Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.535 -0.841 . . . . 0.0 112.463 -177.81 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 98' ' ' ASN . . . . . . . . . . . . . 9.3 t30 -151.35 113.69 4.58 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.79 0.329 . . . . 0.0 110.648 -178.316 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 99' ' ' VAL . . . . . . . . . . . . . 7.2 m -102.69 140.43 21.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.556 -177.338 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 100' ' ' SER . . . . . . . . . . . . . 25.0 m -110.1 161.16 15.82 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.259 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 101' ' ' SER . . . . . 0.466 ' CB ' ' HB2' ' A' ' 40' ' ' SER . 3.4 p -82.59 6.56 17.26 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.128 0.489 . . . . 0.0 111.68 -177.606 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 54.8 t -92.11 113.9 28.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.696 -179.082 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . 114.82 -6.68 22.13 Favored Glycine 0 N--CA 1.448 -0.519 0 CA-C-N 115.662 -0.699 . . . . 0.0 112.661 174.642 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 104' ' ' VAL . . . . . . . . . . . . . 23.5 t -64.25 -32.87 59.23 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.152 0 N-CA-C 110.068 -0.345 . . . . 0.0 110.068 178.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -49.14 -41.68 36.97 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.945 179.316 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 14.9 m -75.33 -27.84 59.39 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.463 -178.44 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 24.7 m -73.46 -29.43 62.53 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.993 0.425 . . . . 0.0 110.22 -175.693 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 108' ' ' LEU . . . . . 0.669 ' O ' HG13 ' B' ' 111' ' ' VAL . 4.1 mm? -59.98 -39.81 87.0 Favored 'General case' 0 C--O 1.223 -0.32 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.522 175.421 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 109' ' ' ASN . . . . . . . . . . . . . 12.7 m-80 -65.1 -25.32 67.73 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.376 -178.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 110' ' ' VAL . . . . . . . . . . . . . 25.9 t -84.83 -36.05 10.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.912 0.387 . . . . 0.0 110.978 -178.191 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 111' ' ' VAL . . . . . 0.669 HG13 ' O ' ' B' ' 108' ' ' LEU . 10.0 p -65.12 -30.37 50.11 Favored 'Isoleucine or valine' 0 C--O 1.234 0.269 0 CA-C-O 121.255 0.55 . . . . 0.0 109.902 178.797 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 112' ' ' GLN . . . . . 0.615 ' HG3' ' O ' ' B' ' 108' ' ' LEU . 24.3 mt-30 -65.24 -28.51 69.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.428 -0.806 . . . . 0.0 110.534 178.653 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 113' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -82.66 -29.9 29.67 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.554 -176.152 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 114' ' ' SER . . . . . 0.444 ' OG ' ' HD3' ' B' ' 55' ' ' PRO . 13.3 m -78.73 -47.64 16.46 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.146 -0.933 . . . . 0.0 111.54 -173.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 115' ' ' VAL . . . . . 0.423 HG12 ' O ' ' B' ' 111' ' ' VAL . 11.7 p -109.3 -17.2 8.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 121.082 0.468 . . . . 0.0 111.309 -173.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 116' ' ' GLY . . . . . . . . . . . . . . . -59.38 -25.61 60.71 Favored Glycine 0 C--O 1.229 -0.186 0 CA-C-N 116.034 -0.53 . . . . 0.0 112.905 -178.732 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -88.7 5.8 41.55 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.556 0.217 . . . . 0.0 111.517 -179.018 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 118' ' ' TYR . . . . . 0.442 ' HB3' HD22 ' B' ' 76' ' ' LEU . 65.2 m-85 -117.62 -27.08 6.39 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.12 0.486 . . . . 0.0 109.827 177.201 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 119' ' ' VAL . . . . . 0.463 ' O ' ' HB3' ' A' ' 22' ' ' SER . 31.0 m -87.8 0.15 7.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.067 173.127 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.23 0 CA-C-O 118.199 -1.334 . . . . 0.0 110.879 175.711 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.898 0 N-CA-C 111.937 -0.465 . . . . 0.0 111.937 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 16.6 p -82.82 137.03 34.46 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.886 0.375 . . . . 0.0 110.732 179.596 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . 165.18 -162.7 35.96 Favored Glycine 0 N--CA 1.447 -0.569 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.157 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' -2' ' ' ASN . . . . . . . . . . . . . 45.7 m-80 -110.9 168.33 9.56 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.667 0.27 . . . . 0.0 110.324 -178.221 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 21.1 m -72.56 98.04 2.24 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.868 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 6.1 m -137.77 113.61 10.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.644 176.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 13.4 t -166.61 144.82 5.28 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.588 176.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.5 p -103.71 7.34 37.29 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.883 175.137 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 84.66 160.58 32.16 Favored Glycine 0 N--CA 1.447 -0.573 0 CA-C-N 115.614 -0.721 . . . . 0.0 112.2 -179.454 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 96.57 -20.43 50.51 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.724 -0.75 . . . . 0.0 113.149 176.375 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.42 ' HA ' HG22 ' A' ' 10' ' ' THR . 21.2 p90 -138.9 171.85 13.72 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.871 0.367 . . . . 0.0 111.408 -177.849 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 149.19 -124.24 1.77 Allowed Glycine 0 N--CA 1.447 -0.615 0 N-CA-C 111.178 -0.769 . . . . 0.0 111.178 -176.298 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 79.5 m-85 -80.04 -37.79 33.29 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.056 0.455 . . . . 0.0 110.43 176.466 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -141.12 118.1 1.32 Allowed Glycine 0 N--CA 1.444 -0.789 0 N-CA-C 111.284 -0.726 . . . . 0.0 111.284 -179.19 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.42 HG22 ' HA ' ' A' ' 6' ' ' TYR . 26.9 p -81.86 63.71 6.23 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 120.789 0.328 . . . . 0.0 111.443 -176.301 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 49.3 m 58.04 32.77 22.42 Favored 'General case' 0 CA--C 1.52 -0.175 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.812 -177.641 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -90.95 133.47 35.24 Favored 'General case' 0 N--CA 1.442 -0.84 0 CA-C-N 115.144 -0.935 . . . . 0.0 109.716 179.39 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.83 89.31 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.375 0 O-C-N 123.889 0.743 . . . . 0.0 111.509 179.531 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -168.36 173.58 7.57 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 108.421 -0.955 . . . . 0.0 108.421 -179.634 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.553 ' HA3' ' H ' ' A' ' 25' ' ' GLY . . . -164.04 115.43 0.65 Allowed Glycine 0 N--CA 1.442 -0.949 0 C-N-CA 118.881 -1.628 . . . . 0.0 114.246 -178.236 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 179.77 75.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.733 -0.84 . . . . 0.0 108.733 174.076 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 61.69 37.14 93.75 Favored Glycine 0 CA--C 1.522 0.472 0 C-N-CA 120.635 -0.793 . . . . 0.0 111.566 -171.776 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 4.3 m -78.18 -26.99 14.5 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.261 0 CA-C-O 120.893 0.378 . . . . 0.0 111.525 -175.787 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.418 ' HB1' ' HB2' ' A' ' 22' ' ' SER . . . -142.1 176.71 8.75 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.061 -0.518 . . . . 0.0 109.731 178.608 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.551 ' HB2' ' O ' ' B' ' 20' ' ' ALA . . . -78.83 -25.66 44.14 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 120.86 -0.336 . . . . 0.0 110.96 -178.811 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.519 ' HA3' ' CA ' ' B' ' 21' ' ' GLY . . . -145.92 31.59 1.6 Allowed Glycine 0 C--N 1.332 0.351 0 C-N-CA 120.89 -0.672 . . . . 0.0 112.287 177.437 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.418 ' HB2' ' HB1' ' A' ' 19' ' ' ALA . 34.8 m -146.54 121.55 10.05 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 110.083 -0.34 . . . . 0.0 110.083 177.046 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.667 ' CE1' ' HA ' ' A' ' 74' ' ' GLU . 0.0 OUTLIER -156.73 120.71 4.33 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.032 -177.434 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.401 ' N ' ' HA3' ' A' ' 15' ' ' GLY . . . -77.85 -22.62 49.62 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.368 -179.741 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.553 ' H ' ' HA3' ' A' ' 15' ' ' GLY . . . -62.0 -32.71 83.14 Favored Glycine 0 N--CA 1.453 -0.225 0 C-N-CA 120.959 -0.639 . . . . 0.0 111.916 -178.616 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.439 ' HB2' ' HB2' ' A' ' 78' ' ' GLN . . . -69.19 -15.56 63.42 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.11 0.481 . . . . 0.0 110.418 179.381 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.9 t -93.94 -42.83 13.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.431 -178.208 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 51.6 m-80 -64.39 -34.5 78.32 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 121.045 0.45 . . . . 0.0 110.881 -177.044 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 71.1 ttt180 -63.33 -19.15 64.37 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.416 -178.097 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.484 ' HB3' HD13 ' B' ' 108' ' ' LEU . 89.5 mt -61.92 -30.32 70.82 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.965 -176.688 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 28.3 p -78.96 5.42 11.67 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.01 0.433 . . . . 0.0 111.528 -176.1 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 50.2 m -95.04 160.48 14.55 Favored 'General case' 0 N--CA 1.441 -0.904 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 174.559 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.65 -17.0 53.62 Favored 'General case' 0 N--CA 1.466 0.363 0 N-CA-C 112.586 0.587 . . . . 0.0 112.586 -175.259 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -56.74 -61.09 2.67 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.592 -0.276 . . . . 0.0 111.132 -179.354 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.665 ' O ' HG23 ' A' ' 39' ' ' VAL . . . -56.6 -59.98 4.21 Favored 'General case' 0 CA--C 1.515 -0.389 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.772 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -47.07 -34.91 6.33 Favored 'General case' 0 C--N 1.33 -0.243 0 O-C-N 123.543 0.527 . . . . 0.0 112.252 -175.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 9.6 t -67.8 -32.75 73.52 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.484 -178.379 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 84.6 mtt-85 -95.08 -36.42 11.52 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.382 0.611 . . . . 0.0 109.817 -177.006 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.665 HG23 ' O ' ' A' ' 35' ' ' ALA . 41.5 t -61.14 -46.08 97.32 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-N 115.227 -0.897 . . . . 0.0 110.664 178.844 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 80.8 p -74.67 -6.17 47.26 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.541 -178.481 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 38.0 t -92.41 -11.23 35.41 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.589 179.322 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 42.9 m-80 -118.67 0.36 11.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.967 0.413 . . . . 0.0 111.064 -176.533 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.442 HG13 ' N ' ' A' ' 44' ' ' ALA . 4.6 pt -61.35 -40.32 85.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.022 177.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.442 ' N ' HG13 ' A' ' 43' ' ' ILE . . . -81.1 -3.96 53.73 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.086 0.47 . . . . 0.0 111.032 -178.139 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -86.72 -52.5 5.48 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.28 0.562 . . . . 0.0 109.673 176.635 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 50.4 mt -65.04 -36.03 76.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.632 179.806 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.449 ' HB2' HD12 ' B' ' 96' ' ' ILE . . . -64.87 -14.05 58.33 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.729 -178.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 29.8 t -103.66 -28.04 11.93 Favored 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 121.027 -0.269 . . . . 0.0 111.469 -178.191 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -109.49 -21.77 7.07 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.33 -0.938 . . . . 0.0 113.359 -175.619 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 74.86 -80.45 0.93 Allowed Glycine 0 N--CA 1.447 -0.588 0 N-CA-C 111.204 -0.758 . . . . 0.0 111.204 -178.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -114.08 -23.21 9.64 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-O 121.203 0.525 . . . . 0.0 110.177 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 8.9 t -78.84 3.04 17.97 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.502 -176.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.407 ' O ' HG23 ' A' ' 57' ' ' VAL . . . -101.63 -20.15 15.15 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.184 177.359 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.418 ' N ' ' HD2' ' A' ' 55' ' ' PRO . 54.9 mt -52.54 -57.97 13.62 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 115.679 -0.692 . . . . 0.0 111.978 -175.713 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.418 ' HD2' ' N ' ' A' ' 54' ' ' LEU . 18.1 Cg_endo -61.37 -23.73 77.36 Favored 'Trans proline' 0 C--N 1.353 0.784 0 C-N-CA 122.075 1.85 . . . . 0.0 112.419 -176.558 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 20.8 m -87.41 -38.15 16.4 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.901 -178.446 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.407 HG23 ' O ' ' A' ' 53' ' ' ALA . 78.4 t -77.99 -40.48 26.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.034 -175.743 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.46 HG12 HD23 ' A' ' 83' ' ' LEU . 69.8 mt -56.68 -42.73 77.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.114 174.41 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 32.9 t -67.89 -37.73 82.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.427 -178.345 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 86.8 m-20 -58.12 -55.79 30.39 Favored 'General case' 0 CA--C 1.516 -0.346 0 CA-C-O 121.347 0.594 . . . . 0.0 110.237 177.609 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.49 ' O ' HG21 ' A' ' 65' ' ' VAL . 57.7 mt -69.44 -47.24 73.65 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-N 115.178 -0.919 . . . . 0.0 111.554 -176.197 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.461 ' O ' HG21 ' A' ' 66' ' ' VAL . 53.7 t80 -51.83 -59.56 4.17 Favored 'General case' 0 N--CA 1.466 0.354 0 O-C-N 123.061 0.225 . . . . 0.0 111.393 -177.402 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 17.9 t -62.34 -26.77 68.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.093 0.473 . . . . 0.0 110.739 -177.026 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -71.25 -45.43 48.71 Favored Glycine 0 N--CA 1.447 -0.594 0 C-N-CA 120.868 -0.682 . . . . 0.0 111.543 177.185 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.49 HG21 ' O ' ' A' ' 61' ' ' ILE . 58.7 t -68.72 -41.14 82.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.686 -0.257 . . . . 0.0 111.09 -179.736 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.461 HG21 ' O ' ' A' ' 62' ' ' TYR . 84.3 t -59.07 -43.81 90.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.979 0.419 . . . . 0.0 110.339 178.784 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -75.24 -0.27 18.94 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.302 179.364 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.434 ' HB3' ' O ' ' A' ' 65' ' ' VAL . 48.2 t -90.43 -11.57 40.04 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.76 178.263 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 104.81 21.33 9.17 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.104 -1.046 . . . . 0.0 113.342 177.633 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.403 ' CG1' HG13 ' A' ' 65' ' ' VAL . 7.3 p -86.95 163.94 2.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 177.218 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 9.0 t -70.79 153.92 42.32 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 174.521 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 8.4 p -57.37 -62.44 1.77 Allowed 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 112.678 0.621 . . . . 0.0 112.678 -171.386 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -71.76 -28.44 63.65 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.048 0.451 . . . . 0.0 110.369 -176.734 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.667 ' HA ' ' CE1' ' A' ' 23' ' ' TYR . 39.1 tt0 -64.53 -28.83 69.91 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.257 179.506 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -63.02 -32.45 73.82 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.339 -0.846 . . . . 0.0 111.423 177.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -58.29 -48.66 79.78 Favored 'General case' 0 CA--C 1.518 -0.276 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 179.157 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.716 ' O ' ' HG ' ' A' ' 81' ' ' LEU . 30.8 mm -62.77 -55.71 22.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.92 -178.897 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . 0.439 ' HB2' ' HB2' ' A' ' 26' ' ' ALA . 9.2 tt0 -56.96 -48.07 79.22 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 121.072 -0.251 . . . . 0.0 111.465 179.314 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.16 -38.01 81.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.704 0.288 . . . . 0.0 111.04 -178.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.715 ' O ' ' HG ' ' A' ' 84' ' ' LEU . 10.0 mt -69.11 -44.26 72.79 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.894 176.584 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.716 ' HG ' ' O ' ' A' ' 77' ' ' ILE . 61.2 mt -61.4 -37.83 84.86 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.84 0.353 . . . . 0.0 110.849 179.712 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -68.69 -25.7 64.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.937 175.207 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.461 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 26.3 tp -77.64 -40.86 40.4 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.038 0.447 . . . . 0.0 110.256 175.746 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.715 ' HG ' ' O ' ' A' ' 80' ' ' LEU . 15.7 mt -63.44 -16.23 59.99 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.383 -0.826 . . . . 0.0 111.366 -176.177 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.4 p -96.83 -23.59 16.3 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.706 0.289 . . . . 0.0 111.372 -176.701 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -74.75 -45.42 44.05 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.423 0.63 . . . . 0.0 110.371 -179.607 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.487 HD13 ' N ' ' A' ' 88' ' ' VAL . 1.3 pp -77.47 -22.13 51.82 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.384 -0.826 . . . . 0.0 112.66 -172.673 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.487 ' N ' HD13 ' A' ' 87' ' ' LEU . 14.4 m -85.69 -22.78 7.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 C-N-CA 120.26 -0.576 . . . . 0.0 110.817 177.873 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 72.6 t60 -71.34 -37.69 71.69 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.178 178.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.44 HG23 ' O ' ' A' ' 87' ' ' LEU . 22.5 m -65.17 -26.71 40.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.484 -174.885 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.43 ' HA ' ' HB1' ' A' ' 94' ' ' ALA . 3.9 mm? -65.99 -21.07 66.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.566 -0.288 . . . . 0.0 111.409 179.026 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 32.4 t -66.55 -26.69 67.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.947 0.403 . . . . 0.0 110.572 179.2 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.483 ' HB2' HG12 ' B' ' 99' ' ' VAL . 61.1 m -108.89 -17.61 13.88 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.677 0.751 . . . . 0.0 110.131 -179.224 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . 0.43 ' HB1' ' HA ' ' A' ' 91' ' ' LEU . . . -83.91 100.24 10.88 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.09 -0.959 . . . . 0.0 111.182 179.828 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 9.2 t -80.52 91.4 5.77 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 177.506 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.44 HD11 ' CG1' ' A' ' 99' ' ' VAL . 9.2 tt -64.68 147.55 12.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.419 -0.81 . . . . 0.0 112.248 -178.246 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -89.75 -89.72 1.25 Allowed Glycine 0 N--CA 1.45 -0.41 0 CA-C-N 115.895 -0.593 . . . . 0.0 112.29 176.055 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 8.5 t30 -147.61 108.51 4.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.955 0.377 . . . . 0.0 111.125 -178.336 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.44 ' CG1' HD11 ' A' ' 96' ' ' ILE . 3.2 m -91.61 147.34 5.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.286 179.551 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 57.7 m -117.45 158.33 24.69 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.447 -179.739 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 4.2 p -76.4 -10.95 59.78 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.231 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 23.8 t -81.74 109.21 15.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.956 -176.488 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 123.15 -15.78 8.2 Favored Glycine 0 N--CA 1.448 -0.524 0 CA-C-N 115.606 -0.724 . . . . 0.0 112.819 174.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 37.0 t -58.27 -33.31 46.95 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.194 0 CA-C-O 120.876 0.37 . . . . 0.0 110.112 179.271 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -49.0 -45.24 42.08 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.313 -0.858 . . . . 0.0 111.156 179.573 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 35.4 t -73.88 -26.06 60.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.784 -179.349 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 14.1 m -71.42 -30.25 65.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.271 0.557 . . . . 0.0 109.544 -178.091 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.55 HD11 ' HB3' ' B' ' 30' ' ' LEU . 4.1 mm? -62.79 -32.06 73.16 Favored 'General case' 0 C--O 1.223 -0.308 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.832 175.542 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . 0.486 ' N ' HD21 ' A' ' 109' ' ' ASN . 0.9 OUTLIER -71.12 -29.84 65.76 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.945 0.403 . . . . 0.0 110.28 -178.07 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 23.2 t -80.92 -39.08 17.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.965 -176.364 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.548 HG12 ' O ' ' A' ' 108' ' ' LEU . 9.8 p -60.81 -29.49 45.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 121.175 0.512 . . . . 0.0 110.639 -178.3 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . 0.51 ' HG3' ' O ' ' A' ' 108' ' ' LEU . 26.0 mt-30 -65.38 -35.55 81.31 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.622 -179.463 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -66.07 -36.34 82.94 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.164 -0.926 . . . . 0.0 110.812 -175.57 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 4.0 m -78.39 -34.54 48.06 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.225 -0.898 . . . . 0.0 112.515 -170.625 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . 0.466 HG12 HD23 ' B' ' 81' ' ' LEU . 14.9 p -113.35 -23.88 4.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 N-CA-C 112.344 0.498 . . . . 0.0 112.344 -170.037 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -56.15 -30.41 57.72 Favored Glycine 0 C--N 1.332 0.361 0 C-N-CA 121.386 -0.435 . . . . 0.0 113.407 -175.419 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.33 -5.28 54.17 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 111.971 0.36 . . . . 0.0 111.971 -176.577 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 80.5 m-85 -108.78 -33.52 6.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.772 0.32 . . . . 0.0 110.848 178.697 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . 0.4 ' O ' ' HB3' ' B' ' 22' ' ' SER . 29.6 m -84.86 -5.0 9.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.374 -179.44 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . 0.412 ' O ' ' HA ' ' B' ' 11' ' ' SER . . . . . . . . 0 N--CA 1.45 -0.371 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.74 179.654 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.245 0 N-CA-C 112.14 -0.384 . . . . 0.0 112.14 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' -4' ' ' SER . . . . . . . . . . . . . 3.6 p -70.37 141.41 52.21 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.638 0.256 . . . . 0.0 111.089 -179.029 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' -3' ' ' GLY . . . . . . . . . . . . . . . 143.43 -101.17 0.26 Allowed Glycine 0 N--CA 1.447 -0.575 0 N-CA-C 111.499 -0.64 . . . . 0.0 111.499 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' -2' ' ' ASN . . . . . . . . . . . . . 3.8 p-10 -154.7 142.06 19.58 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.821 0.343 . . . . 0.0 110.303 178.051 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' -1' ' ' SER . . . . . . . . . . . . . 21.0 m -90.45 131.56 36.14 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.249 -177.193 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 8.7 m -121.39 34.83 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.237 178.278 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 46.1 p -97.72 133.89 41.64 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.938 -179.073 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 69.1 m -83.2 -39.05 21.47 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.834 0.35 . . . . 0.0 110.51 175.674 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . 131.85 161.93 10.27 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.958 -0.639 . . . . 0.0 111.83 -179.631 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . 97.24 6.23 57.79 Favored Glycine 0 N--CA 1.453 -0.217 0 C-N-CA 120.44 -0.886 . . . . 0.0 113.246 177.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 6' ' ' TYR . . . . . . . . . . . . . 4.9 p90 -147.6 -76.77 0.17 Allowed 'General case' 0 C--N 1.328 -0.327 0 O-C-N 122.611 -0.346 . . . . 0.0 111.275 178.035 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . 61.86 -141.87 47.79 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.692 -0.766 . . . . 0.0 111.733 -178.793 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 8' ' ' TYR . . . . . 0.423 ' HB2' ' O ' ' B' ' 18' ' ' VAL . 97.4 m-85 -100.19 2.18 42.68 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.01 0.434 . . . . 0.0 110.062 176.461 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -129.52 74.91 0.43 Allowed Glycine 0 N--CA 1.448 -0.515 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.677 -177.125 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 28.4 p -81.89 45.94 0.95 Allowed 'General case' 0 C--N 1.321 -0.648 0 C-N-CA 122.378 0.271 . . . . 0.0 111.274 -177.564 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 11' ' ' SER . . . . . 0.412 ' HA ' ' O ' ' A' ' 120' ' ' GLY . 55.5 m 62.27 95.48 0.04 OUTLIER 'General case' 0 C--O 1.233 0.217 0 CA-C-O 121.446 0.641 . . . . 0.0 111.038 -174.421 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -148.59 140.96 24.21 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.817 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.79 77.82 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.586 0 O-C-N 123.608 0.567 . . . . 0.0 111.203 175.032 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -163.54 164.68 24.19 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.671 -0.862 . . . . 0.0 108.671 178.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 15' ' ' GLY . . . . . 0.43 ' HA3' ' N ' ' B' ' 25' ' ' GLY . . . -175.34 101.77 0.16 Allowed Glycine 0 N--CA 1.443 -0.884 0 C-N-CA 119.325 -1.417 . . . . 0.0 113.637 -176.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -177.53 87.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 123.262 0.625 . . . . 0.0 109.367 173.193 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 60.02 39.38 95.61 Favored Glycine 0 CA--C 1.521 0.444 0 C-N-CA 120.564 -0.827 . . . . 0.0 111.584 -172.18 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . 0.423 ' O ' ' HB2' ' B' ' 8' ' ' TYR . 0.6 OUTLIER -77.29 -42.44 30.85 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.311 0 CA-C-O 120.912 0.387 . . . . 0.0 112.024 -175.962 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -144.76 140.57 28.61 Favored 'General case' 0 C--N 1.316 -0.873 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 -178.134 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . 0.551 ' O ' ' HB2' ' A' ' 20' ' ' ALA . . . -71.21 65.69 0.4 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.27 0.557 . . . . 0.0 110.875 179.528 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . 0.519 ' CA ' ' HA3' ' A' ' 21' ' ' GLY . . . 160.37 -34.53 0.43 Allowed Glycine 0 N--CA 1.44 -1.035 0 CA-C-N 115.489 -0.778 . . . . 0.0 112.306 -178.259 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 22' ' ' SER . . . . . 0.412 ' O ' HG22 ' B' ' 18' ' ' VAL . 15.1 m -127.24 131.71 50.53 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.927 0.394 . . . . 0.0 111.639 -178.057 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -151.71 130.0 12.02 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.859 -0.61 . . . . 0.0 109.819 179.459 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -84.51 -22.89 30.03 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.829 0.347 . . . . 0.0 110.966 176.78 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . 0.43 ' N ' ' HA3' ' B' ' 15' ' ' GLY . . . -65.56 -28.12 73.28 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.831 -0.699 . . . . 0.0 112.492 -178.403 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 26' ' ' ALA . . . . . 0.421 ' HB2' ' HB2' ' B' ' 78' ' ' GLN . . . -68.43 -16.78 64.03 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.48 0.657 . . . . 0.0 110.255 177.318 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . 0.427 ' CG1' ' HA ' ' A' ' 112' ' ' GLN . 2.9 t -94.78 -37.35 7.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.045 179.462 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 66.0 m-20 -76.88 -10.46 59.39 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.584 -0.735 . . . . 0.0 111.257 -174.696 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 79.8 ttt180 -90.47 -3.3 57.75 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.406 0.622 . . . . 0.0 110.193 178.63 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . 0.55 ' HB3' HD11 ' A' ' 108' ' ' LEU . 90.6 mt -74.59 -29.34 61.28 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.899 -176.226 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 5.1 p -71.73 -8.96 57.35 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.049 0.452 . . . . 0.0 111.32 -179.083 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 71.1 m -74.39 154.99 38.57 Favored 'General case' 0 N--CA 1.442 -0.851 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.776 176.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.4 -20.44 63.06 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.924 178.545 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -49.93 -60.82 2.56 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.734 177.239 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 35' ' ' ALA . . . . . 0.651 ' O ' HG23 ' B' ' 39' ' ' VAL . . . -63.49 -54.28 38.82 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.947 -179.086 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -48.83 -33.47 10.59 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 112.466 0.543 . . . . 0.0 112.466 -176.326 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 33.9 m -76.32 -23.71 54.28 Favored 'General case' 0 CA--C 1.536 0.405 0 N-CA-C 112.025 0.379 . . . . 0.0 112.025 -179.114 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 38' ' ' ARG . . . . . 0.41 HH11 ' HD3' ' B' ' 38' ' ' ARG . 53.0 mtm-85 -96.07 -43.4 7.79 Favored 'General case' 0 CA--C 1.514 -0.427 0 CA-C-O 121.604 0.716 . . . . 0.0 109.725 -177.67 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . 0.651 HG23 ' O ' ' B' ' 35' ' ' ALA . 36.0 t -59.62 -42.29 87.82 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.847 0 CA-C-N 114.681 -1.145 . . . . 0.0 110.848 -179.544 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 40' ' ' SER . . . . . 0.457 ' O ' HG12 ' B' ' 43' ' ' ILE . 69.8 p -74.09 -13.02 60.77 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.627 -178.42 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 22.2 t -88.34 -12.99 41.83 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.191 0.519 . . . . 0.0 110.021 -178.388 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 42.7 m-80 -115.94 -3.29 12.16 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.19 -175.036 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 43' ' ' ILE . . . . . 0.474 HG13 ' N ' ' B' ' 44' ' ' ALA . 4.3 pt -60.54 -42.55 91.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 120.904 0.383 . . . . 0.0 111.093 178.803 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . 0.474 ' N ' HG13 ' B' ' 43' ' ' ILE . . . -77.07 -11.75 59.85 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.098 0.475 . . . . 0.0 110.87 -177.099 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -83.69 -53.29 5.75 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.952 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 46' ' ' ILE . . . . . 0.421 ' HA ' ' HB1' ' B' ' 53' ' ' ALA . 46.1 mt -64.65 -36.3 77.1 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.238 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.546 179.858 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.83 -21.84 66.22 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.699 -178.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 33.1 t -93.67 -40.44 10.25 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.132 -177.606 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -96.26 -19.88 26.92 Favored Glycine 0 CA--C 1.52 0.344 0 C-N-CA 120.449 -0.882 . . . . 0.0 113.261 -175.702 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 72.31 -75.16 0.82 Allowed Glycine 0 N--CA 1.451 -0.325 0 N-CA-C 111.498 -0.641 . . . . 0.0 111.498 -178.22 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -117.95 -23.12 7.58 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-O 120.986 0.422 . . . . 0.0 110.494 179.17 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 46.7 m -71.44 -14.44 62.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.968 -177.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . 0.421 ' HB1' ' HA ' ' B' ' 46' ' ' ILE . . . -89.52 -17.55 28.4 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.899 -178.511 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 54' ' ' LEU . . . . . 0.406 HD11 HG12 ' A' ' 88' ' ' VAL . 46.8 mt -53.65 -57.31 17.88 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 115.911 -0.586 . . . . 0.0 112.08 -176.494 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 55' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_endo -65.94 -7.04 15.68 Favored 'Trans proline' 0 C--N 1.354 0.817 0 C-N-CA 122.186 1.924 . . . . 0.0 112.9 -175.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 20.1 m -104.36 -37.13 7.34 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.969 0.414 . . . . 0.0 110.747 177.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 55.4 t -80.52 -39.43 18.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.406 -174.69 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 58' ' ' ILE . . . . . 0.457 HG12 HD21 ' B' ' 83' ' ' LEU . 54.6 mt -61.0 -38.68 80.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.877 177.889 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 22.8 t -66.99 -39.71 87.21 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.182 179.688 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 96.7 m-20 -58.09 -53.82 53.89 Favored 'General case' 0 CA--C 1.518 -0.286 0 CA-C-O 121.425 0.631 . . . . 0.0 110.643 178.595 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . 0.443 ' O ' HG22 ' B' ' 65' ' ' VAL . 54.8 mt -70.56 -46.34 70.43 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 115.205 -0.907 . . . . 0.0 111.4 -176.306 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 62' ' ' TYR . . . . . 0.539 ' O ' HG23 ' B' ' 66' ' ' VAL . 67.6 t80 -54.33 -59.32 4.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.078 -178.127 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 7.6 t -65.11 -27.15 68.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.482 -177.097 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -65.62 -42.99 95.2 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.874 -0.679 . . . . 0.0 111.566 177.358 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 65' ' ' VAL . . . . . 0.443 HG22 ' O ' ' B' ' 61' ' ' ILE . 52.3 t -71.3 -42.71 74.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 120.874 0.369 . . . . 0.0 110.527 177.659 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 66' ' ' VAL . . . . . 0.539 HG23 ' O ' ' B' ' 62' ' ' TYR . 99.1 t -58.01 -33.73 47.06 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.249 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.033 -179.525 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.25 -23.48 64.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.7 178.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 40.1 t -74.32 -11.17 60.19 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 116.582 -0.281 . . . . 0.0 111.169 -178.794 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 95.06 25.77 13.8 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.604 -0.808 . . . . 0.0 112.199 178.275 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . 0.417 HG11 HG12 ' B' ' 65' ' ' VAL . 14.9 p -90.38 155.12 3.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 N-CA-C 109.94 -0.393 . . . . 0.0 109.94 179.77 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 36.9 t -60.12 137.73 58.04 Favored 'General case' 0 N--CA 1.453 -0.325 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 174.545 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 27.1 m -54.96 -39.76 69.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.87 0.367 . . . . 0.0 111.763 -176.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -72.21 -37.38 69.23 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.752 -177.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -71.6 -34.96 70.32 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 176.72 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.05 -40.32 93.18 Favored 'General case' 0 C--O 1.224 -0.265 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.742 175.318 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 76' ' ' LEU . . . . . 0.423 ' O ' HD23 ' B' ' 80' ' ' LEU . 3.3 tm? -51.02 -53.16 35.94 Favored 'General case' 0 CA--C 1.519 -0.232 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.852 177.866 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 77' ' ' ILE . . . . . 0.717 ' O ' ' HG ' ' B' ' 81' ' ' LEU . 36.1 mm -60.96 -53.72 45.3 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-N 115.306 -0.861 . . . . 0.0 111.104 -178.199 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 78' ' ' GLN . . . . . 0.421 ' HB2' ' HB2' ' B' ' 26' ' ' ALA . 49.7 tt0 -57.79 -48.41 79.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.861 0.362 . . . . 0.0 111.029 -179.202 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.26 -39.8 94.1 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.294 -177.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 80' ' ' LEU . . . . . 0.701 ' O ' ' HG ' ' B' ' 84' ' ' LEU . 2.8 mm? -62.42 -38.41 89.57 Favored 'General case' 0 C--O 1.221 -0.446 0 C-N-CA 121.068 -0.253 . . . . 0.0 110.627 175.48 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . 0.717 ' HG ' ' O ' ' B' ' 77' ' ' ILE . 26.8 mt -74.75 -35.48 62.61 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 120.84 0.352 . . . . 0.0 111.0 -178.095 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -66.13 -23.85 66.57 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.357 0.599 . . . . 0.0 110.121 171.563 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 83' ' ' LEU . . . . . 0.457 HD21 HG12 ' B' ' 58' ' ' ILE . 40.2 tp -79.27 -43.73 23.12 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.666 176.01 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 84' ' ' LEU . . . . . 0.701 ' HG ' ' O ' ' B' ' 80' ' ' LEU . 13.6 mt -66.08 -9.17 28.5 Favored 'General case' 0 C--O 1.223 -0.341 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.362 -175.028 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 1.6 p -99.27 -26.62 14.11 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.127 179.827 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 86' ' ' ALA . . . . . 0.411 ' O ' HG12 ' B' ' 90' ' ' VAL . . . -72.45 -44.94 61.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.415 0.626 . . . . 0.0 110.469 -178.389 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 87' ' ' LEU . . . . . 0.437 ' HG ' ' O ' ' B' ' 83' ' ' LEU . 1.2 pp -80.48 -12.53 59.53 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.358 -0.837 . . . . 0.0 112.608 -172.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 88' ' ' VAL . . . . . 0.422 HG12 HD13 ' B' ' 87' ' ' LEU . 16.3 m -97.29 -24.31 4.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 C-N-CA 120.516 -0.474 . . . . 0.0 110.675 176.355 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 89' ' ' HIS . . . . . . . . . . . . . 68.2 t60 -69.05 -31.15 69.72 Favored 'General case' 0 N--CA 1.449 -0.511 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 177.661 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 90' ' ' VAL . . . . . 0.423 ' HA ' HG13 ' A' ' 99' ' ' VAL . 21.8 m -64.22 -27.2 42.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 C-N-CA 120.63 -0.428 . . . . 0.0 110.98 -177.248 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 91' ' ' LEU . . . . . 0.451 ' HA ' ' HB3' ' B' ' 94' ' ' ALA . 4.0 mm? -65.75 -20.14 66.16 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.977 179.139 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 34.8 t -62.42 -25.91 68.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.894 178.696 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 21.0 t -129.87 12.82 5.77 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.183 0.516 . . . . 0.0 110.436 179.655 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 94' ' ' ALA . . . . . 0.451 ' HB3' ' HA ' ' B' ' 91' ' ' LEU . . . -106.11 92.23 4.06 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.192 178.138 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 1.4 m -64.22 93.03 0.09 Allowed 'General case' 0 N--CA 1.429 -1.502 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.51 176.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 96' ' ' ILE . . . . . 0.449 HD12 ' HB2' ' A' ' 47' ' ' ALA . 18.7 tt -78.92 147.2 6.97 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.627 0 CA-C-O 120.818 0.342 . . . . 0.0 110.77 -179.195 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 97' ' ' GLY . . . . . . . . . . . . . . . -92.56 -112.07 1.99 Allowed Glycine 0 N--CA 1.446 -0.67 0 C-N-CA 120.5 -0.857 . . . . 0.0 111.849 178.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 98' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -125.41 103.71 8.05 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 110.165 -0.309 . . . . 0.0 110.165 -179.738 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 99' ' ' VAL . . . . . 0.483 HG12 ' HB2' ' A' ' 93' ' ' SER . 14.3 m -82.73 141.68 14.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-O 121.095 0.474 . . . . 0.0 110.766 179.872 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 100' ' ' SER . . . . . . . . . . . . . 15.0 m -108.72 155.08 21.14 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.948 -178.702 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 46.7 m -83.9 31.6 0.48 Allowed 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 120.954 0.407 . . . . 0.0 110.971 -178.492 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 40.3 t -118.81 117.43 54.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.584 -0.28 . . . . 0.0 110.445 -177.816 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . 115.62 -14.68 17.51 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 121.011 -0.614 . . . . 0.0 112.388 176.674 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 104' ' ' VAL . . . . . 0.428 ' O ' HD21 ' B' ' 108' ' ' LEU . 17.8 t -60.16 -31.68 48.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.889 0.376 . . . . 0.0 110.036 -179.604 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -52.53 -42.98 64.84 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.761 179.554 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 23.3 t -77.56 -23.2 50.11 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.487 -179.084 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 14.2 m -71.96 -32.73 67.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.918 0.39 . . . . 0.0 110.461 -178.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 108' ' ' LEU . . . . . 0.56 ' O ' HG12 ' B' ' 111' ' ' VAL . 4.5 mm? -59.8 -34.36 72.94 Favored 'General case' 0 C--O 1.224 -0.257 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.969 177.599 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 109' ' ' ASN . . . . . . . . . . . . . 18.6 m-80 -69.5 -20.01 63.72 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.603 -178.221 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 110' ' ' VAL . . . . . . . . . . . . . 25.0 t -90.9 -38.22 10.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.995 -177.756 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 111' ' ' VAL . . . . . 0.56 HG12 ' O ' ' B' ' 108' ' ' LEU . 10.6 p -60.94 -30.67 47.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 121.135 0.493 . . . . 0.0 110.617 -178.681 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 112' ' ' GLN . . . . . 0.433 ' HG3' ' O ' ' B' ' 108' ' ' LEU . 26.0 mt-30 -65.34 -30.04 70.84 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.699 -179.693 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 113' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -77.33 -31.69 54.72 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.134 -0.939 . . . . 0.0 111.076 -173.253 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 13.7 m -85.11 -36.77 20.92 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.715 -0.675 . . . . 0.0 112.263 -170.775 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 115' ' ' VAL . . . . . 0.405 HG11 ' O ' ' B' ' 111' ' ' VAL . 7.2 p -113.82 -21.27 5.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 N-CA-C 111.953 0.353 . . . . 0.0 111.953 -174.783 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 116' ' ' GLY . . . . . . . . . . . . . . . -63.08 -20.07 62.2 Favored Glycine 0 CA--C 1.518 0.265 0 C-N-CA 120.946 -0.645 . . . . 0.0 113.074 -175.809 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.3 3.33 40.13 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 111.622 0.23 . . . . 0.0 111.622 -178.712 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 118' ' ' TYR . . . . . 0.411 ' HB3' HD21 ' B' ' 76' ' ' LEU . 84.4 m-85 -112.52 -34.46 5.84 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.843 0.354 . . . . 0.0 110.45 177.782 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 119' ' ' VAL . . . . . . . . . . . . . 33.5 m -77.5 -4.82 6.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.072 179.5 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.743 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 178.178 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.838 0 N-CA-C 111.94 -0.464 . . . . 0.0 111.94 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 18.2 m -76.12 95.47 3.66 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 178.492 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . -87.93 55.64 4.35 Favored Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 120.898 -0.668 . . . . 0.0 112.302 -178.355 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' -2' ' ' ASN . . . . . . . . . . . . . 27.3 p30 -154.35 177.14 11.47 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 110.199 -0.297 . . . . 0.0 110.199 -179.751 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 11.1 p -128.02 18.02 6.65 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.932 0.396 . . . . 0.0 111.16 -178.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 35.0 m -81.75 -1.37 5.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.761 -175.266 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 12.1 t -141.38 144.28 34.42 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.022 -179.498 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.512 ' OG ' ' HA ' ' B' ' 3' ' ' SER . 48.4 m -154.72 134.78 13.07 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.661 -0.245 . . . . 0.0 110.462 179.729 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.418 ' N ' ' HB3' ' B' ' -1' ' ' SER . . . -133.06 -49.19 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.623 -0.799 . . . . 0.0 112.723 -178.655 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 113.17 -31.97 6.4 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.501 -0.857 . . . . 0.0 112.421 178.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.569 ' HA ' ' O ' ' A' ' 9' ' ' GLY . 51.8 p90 -64.17 -9.08 14.68 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-O 120.942 0.401 . . . . 0.0 111.464 -178.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -77.67 -29.15 55.81 Favored Glycine 0 N--CA 1.447 -0.567 0 C-N-CA 121.139 -0.553 . . . . 0.0 112.432 178.469 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 72.8 m-85 -77.66 -51.35 10.75 Favored 'General case' 0 CA--C 1.516 -0.35 0 CA-C-O 122.121 0.963 . . . . 0.0 108.512 174.533 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.569 ' O ' ' HA ' ' A' ' 6' ' ' TYR . . . -168.32 -179.5 40.75 Favored Glycine 0 N--CA 1.435 -1.41 0 N-CA-C 109.105 -1.598 . . . . 0.0 109.105 177.084 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 43.9 p -133.75 174.1 10.82 Favored 'General case' 0 C--N 1.312 -1.043 0 CA-C-N 117.865 0.833 . . . . 0.0 110.068 178.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 13.0 m -57.25 106.1 0.29 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.33 -178.706 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.438 ' C ' ' H ' ' A' ' 14' ' ' ALA . . . -139.58 6.86 2.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.441 -177.818 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 67.08 -20.52 0.11 Allowed 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 113.954 1.094 . . . . 0.0 113.954 177.384 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.438 ' H ' ' C ' ' A' ' 12' ' ' ALA . . . -64.38 -72.47 0.15 Allowed 'General case' 0 C--O 1.233 0.235 0 CA-C-O 120.618 0.247 . . . . 0.0 110.705 179.049 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.484 ' HA3' ' H ' ' A' ' 25' ' ' GLY . . . 104.66 75.71 1.04 Allowed Glycine 0 C--O 1.22 -0.735 0 C-N-CA 120.249 -0.977 . . . . 0.0 114.169 169.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -147.9 82.93 1.51 Allowed 'General case' 0 C--N 1.31 -1.138 0 N-CA-C 109.076 -0.713 . . . . 0.0 109.076 174.262 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 68.43 40.09 86.92 Favored Glycine 0 N--CA 1.447 -0.628 0 CA-C-N 115.43 -0.805 . . . . 0.0 111.435 -169.472 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 2.7 m -80.52 -22.41 11.33 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.322 0 N-CA-C 111.843 0.312 . . . . 0.0 111.843 -178.742 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -150.43 177.25 10.17 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.494 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -69.18 -43.59 73.9 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.154 -177.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -136.52 36.31 2.01 Favored Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.145 -177.796 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 11.7 m -153.52 127.23 8.78 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.675 0.274 . . . . 0.0 110.896 179.256 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.468 ' CE1' ' HA ' ' A' ' 74' ' ' GLU . 0.1 OUTLIER -151.42 125.43 9.21 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 179.545 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -86.29 -22.14 26.95 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 112.328 0.492 . . . . 0.0 112.328 -176.104 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.484 ' H ' ' HA3' ' A' ' 15' ' ' GLY . . . -63.94 -29.87 76.08 Favored Glycine 0 CA--C 1.506 -0.487 0 N-CA-C 111.87 -0.492 . . . . 0.0 111.87 -178.614 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.454 ' HB3' ' HB2' ' A' ' 78' ' ' GLN . . . -67.52 -10.96 56.57 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 114.939 -0.63 . . . . 0.0 110.411 176.226 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.496 HG23 ' CD1' ' A' ' 81' ' ' LEU . 3.1 t -103.09 -42.38 8.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.581 -179.65 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.41 HD21 ' HA2' ' A' ' 25' ' ' GLY . 45.8 m-80 -65.91 -33.13 75.13 Favored 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 120.55 -0.46 . . . . 0.0 110.972 -177.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 73.2 ttt180 -67.45 -8.59 34.54 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.358 -178.246 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.404 HD12 ' HB3' ' A' ' 81' ' ' LEU . 84.6 mt -68.78 -19.95 64.33 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.88 0.372 . . . . 0.0 111.208 179.788 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 65.6 p -83.12 5.7 21.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.274 0.559 . . . . 0.0 110.694 179.522 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 45.9 t -87.59 158.72 18.81 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.266 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.83 -26.63 68.84 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.59 177.67 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -53.05 -59.37 4.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.675 178.561 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.619 ' O ' HG22 ' A' ' 39' ' ' VAL . . . -60.23 -59.51 5.3 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.322 -0.854 . . . . 0.0 110.82 179.017 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -48.15 -38.11 17.22 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 111.921 0.341 . . . . 0.0 111.921 -175.422 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 22.7 t -72.31 -27.43 62.44 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 112.272 0.471 . . . . 0.0 112.272 -179.232 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 87.5 mtt-85 -96.65 -38.57 9.88 Favored 'General case' 0 CA--C 1.514 -0.414 0 CA-C-O 121.406 0.622 . . . . 0.0 110.373 -176.063 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.619 HG22 ' O ' ' A' ' 35' ' ' ALA . 32.9 t -63.98 -38.68 83.03 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.866 0 CA-C-N 114.986 -1.006 . . . . 0.0 110.35 179.128 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.455 ' O ' HG12 ' A' ' 43' ' ' ILE . 88.1 p -77.97 -11.67 59.92 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.273 0.558 . . . . 0.0 110.956 179.585 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 44.8 t -82.9 -23.19 33.67 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.283 0.564 . . . . 0.0 110.099 179.516 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 32.4 m-80 -111.63 -0.48 16.06 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.528 -172.435 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.455 HG12 ' O ' ' A' ' 40' ' ' SER . 3.4 pt -59.8 -42.23 88.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.927 0.394 . . . . 0.0 110.705 176.453 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.426 ' N ' HG13 ' A' ' 43' ' ' ILE . . . -75.78 -15.61 60.23 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.888 -176.857 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -79.69 -51.8 8.77 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.145 -179.098 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 46.2 mt -64.89 -36.82 78.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.149 179.138 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.412 ' HB3' HD11 ' B' ' 96' ' ' ILE . . . -65.17 -15.85 62.87 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.446 -179.757 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 28.6 m -112.81 -1.15 14.73 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.394 -177.54 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -126.85 -25.97 1.18 Allowed Glycine 0 CA--C 1.518 0.28 0 C-N-CA 120.524 -0.846 . . . . 0.0 112.929 -179.249 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 77.27 -76.41 1.66 Allowed Glycine 0 N--CA 1.448 -0.535 0 N-CA-C 111.377 -0.689 . . . . 0.0 111.377 179.312 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -126.02 -18.89 4.93 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-O 120.908 0.385 . . . . 0.0 110.61 178.583 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 33.0 t -75.79 -8.46 56.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.883 0.373 . . . . 0.0 110.718 -176.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -95.67 -16.15 22.22 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.753 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.411 ' N ' ' HD2' ' A' ' 55' ' ' PRO . 65.2 mt -53.19 -58.88 10.67 Favored Pre-proline 0 CA--C 1.534 0.353 0 CA-C-N 116.116 -0.493 . . . . 0.0 112.045 -176.849 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.411 ' HD2' ' N ' ' A' ' 54' ' ' LEU . 24.7 Cg_endo -62.26 -20.9 71.6 Favored 'Trans proline' 0 C--N 1.352 0.723 0 C-N-CA 122.273 1.982 . . . . 0.0 112.344 -176.366 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 14.1 m -90.86 -37.37 13.63 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.93 -178.799 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 62.3 t -77.56 -38.98 26.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 121.051 0.453 . . . . 0.0 109.908 -176.549 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.465 HG12 HD23 ' A' ' 83' ' ' LEU . 79.7 mt -57.39 -39.24 67.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.661 -0.7 . . . . 0.0 109.603 173.775 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 42.4 t -66.76 -41.1 88.29 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.006 -179.099 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 93.0 m-20 -60.44 -44.77 95.47 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.075 179.777 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.418 HG21 ' HB2' ' A' ' 82' ' ' GLU . 56.9 mt -80.24 -46.03 22.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.59 -177.084 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.475 ' O ' HG21 ' A' ' 66' ' ' VAL . 62.0 t80 -53.83 -54.28 40.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.431 -177.144 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 10.2 t -62.54 -29.53 70.63 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.914 0.388 . . . . 0.0 110.127 -178.475 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -68.3 -41.78 84.79 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.942 -0.647 . . . . 0.0 111.781 179.151 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.412 HG12 HG13 ' A' ' 70' ' ' VAL . 43.6 t -70.98 -43.75 76.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 121.024 0.44 . . . . 0.0 110.622 178.769 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.475 HG21 ' O ' ' A' ' 62' ' ' TYR . 98.1 t -59.8 -34.32 55.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.905 -179.627 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.36 -17.05 63.35 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.869 179.233 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 33.0 t -76.2 -18.84 58.88 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.027 0.441 . . . . 0.0 110.558 179.742 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 96.84 37.09 4.8 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.661 -0.781 . . . . 0.0 111.873 -177.687 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.425 HG21 ' N ' ' A' ' 71' ' ' SER . 15.0 p -96.9 161.92 2.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 N-CA-C 109.77 -0.456 . . . . 0.0 109.77 178.77 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.425 ' N ' HG21 ' A' ' 70' ' ' VAL . 41.9 t -65.08 144.18 57.42 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 174.094 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 10.6 t -60.66 -41.9 95.94 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.643 0.258 . . . . 0.0 111.339 -176.379 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -72.57 -33.27 66.65 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.06 0.457 . . . . 0.0 109.944 -176.884 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.468 ' HA ' ' CE1' ' A' ' 23' ' ' TYR . 35.8 tt0 -74.95 -33.47 61.93 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.178 179.274 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -62.01 -36.74 82.45 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.251 178.199 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -55.07 -45.07 75.32 Favored 'General case' 0 N--CA 1.463 0.188 0 O-C-N 123.316 0.385 . . . . 0.0 110.042 178.64 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.696 ' O ' ' HG ' ' A' ' 81' ' ' LEU . 40.2 mm -62.41 -56.91 14.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.866 -178.881 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . 0.454 ' HB2' ' HB3' ' A' ' 26' ' ' ALA . 49.1 tt0 -59.13 -49.4 78.0 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.699 0.285 . . . . 0.0 111.074 -178.627 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.11 -34.43 73.48 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.182 -177.224 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.64 ' O ' HD23 ' A' ' 84' ' ' LEU . 5.2 mt -70.76 -41.52 71.66 Favored 'General case' 0 N--CA 1.449 -0.499 0 C-N-CA 120.692 -0.403 . . . . 0.0 110.722 176.149 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.696 ' HG ' ' O ' ' A' ' 77' ' ' ILE . 20.0 mt -69.26 -33.34 73.1 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 120.998 0.428 . . . . 0.0 110.631 -177.437 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.418 ' HB2' HG21 ' A' ' 61' ' ' ILE . 41.9 mt-10 -67.24 -21.04 65.75 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.636 171.745 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.511 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 37.0 tp -84.47 -41.83 16.2 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.013 0.435 . . . . 0.0 110.43 175.478 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.64 HD23 ' O ' ' A' ' 80' ' ' LEU . 4.1 mm? -65.05 -9.52 22.81 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.555 -0.748 . . . . 0.0 112.048 -177.544 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.9 p -100.82 -25.86 13.97 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 120.846 0.355 . . . . 0.0 110.99 179.591 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -73.21 -46.8 48.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.459 0.647 . . . . 0.0 110.577 -178.646 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.511 ' HG ' ' O ' ' A' ' 83' ' ' LEU . 1.1 pp -77.98 -14.33 59.56 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.348 -0.842 . . . . 0.0 112.877 -171.652 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 17.6 m -96.2 -21.63 5.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 C-N-CA 120.442 -0.503 . . . . 0.0 110.654 176.249 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 65.5 t60 -69.26 -33.96 74.03 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 176.715 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.423 ' HA ' HG13 ' B' ' 99' ' ' VAL . 23.2 m -64.96 -25.63 38.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.424 -176.346 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.486 ' HA ' ' HB3' ' A' ' 94' ' ' ALA . 3.9 mm? -63.88 -22.55 66.97 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.006 -179.286 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 25.9 t -57.21 -31.44 65.49 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.964 178.616 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 9.4 t -123.44 13.26 9.46 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-O 121.587 0.708 . . . . 0.0 109.842 -178.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . 0.486 ' HB3' ' HA ' ' A' ' 91' ' ' LEU . . . -103.77 92.99 4.66 Favored 'General case' 0 N--CA 1.445 -0.708 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.131 178.846 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 21.4 t -72.61 91.48 1.44 Allowed 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.659 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.433 HD12 ' HB1' ' B' ' 47' ' ' ALA . 20.4 tt -73.82 142.79 14.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.429 -179.029 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -87.54 -98.69 0.88 Allowed Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.052 179.216 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 8.6 t30 -138.6 111.52 7.81 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.825 0.345 . . . . 0.0 110.249 177.675 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.404 ' CG1' HD11 ' A' ' 96' ' ' ILE . 7.4 m -85.91 148.64 4.6 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.019 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 43.7 t -109.55 146.64 34.32 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.868 -0.605 . . . . 0.0 109.83 -179.055 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 54.8 m -76.51 -6.8 53.39 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.22 0.534 . . . . 0.0 110.411 176.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 60.3 t -93.02 108.61 20.6 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.432 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.625 -178.402 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 130.72 -16.27 5.36 Favored Glycine 0 N--CA 1.453 -0.182 0 C-N-CA 120.853 -0.689 . . . . 0.0 112.998 176.507 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.413 HG23 ' CD2' ' B' ' 89' ' ' HIS . 21.6 t -58.36 -28.33 35.3 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.378 0 C-N-CA 122.139 0.176 . . . . 0.0 111.112 -178.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -49.65 -46.43 49.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.465 178.212 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 18.6 m -74.65 -36.37 62.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.66 -176.461 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 9.6 m -64.32 -27.12 68.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.615 0.722 . . . . 0.0 110.094 178.59 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.492 ' O ' ' HG3' ' A' ' 112' ' ' GLN . 2.7 mt -71.7 -16.45 62.24 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.506 -0.77 . . . . 0.0 111.64 177.477 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . 0.527 ' N ' HD21 ' A' ' 109' ' ' ASN . 0.8 OUTLIER -82.54 -30.06 29.96 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 120.701 0.286 . . . . 0.0 110.763 -179.741 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 7.3 p -85.51 -29.68 6.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 120.793 0.33 . . . . 0.0 111.258 -177.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 14.4 p -62.77 -31.73 53.29 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.346 0 CA-C-O 121.203 0.525 . . . . 0.0 110.232 178.073 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . 0.492 ' HG3' ' O ' ' A' ' 108' ' ' LEU . 26.8 mt-30 -63.95 -32.57 74.15 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.945 -178.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -81.13 -19.9 42.54 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.575 -0.738 . . . . 0.0 110.429 -175.701 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' SER . . . . . 0.405 ' OG ' ' HD3' ' A' ' 55' ' ' PRO . 15.0 m -83.43 -41.32 18.23 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.441 -175.264 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . 0.467 HG12 HD22 ' B' ' 81' ' ' LEU . 12.3 p -112.64 -22.42 4.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.716 -173.454 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -57.84 -27.32 59.13 Favored Glycine 0 C--N 1.331 0.292 0 C-N-CA 121.458 -0.401 . . . . 0.0 113.366 -176.122 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.27 0.89 43.6 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 111.619 0.229 . . . . 0.0 111.619 -178.059 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 92.9 m-85 -114.06 -32.22 6.11 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.181 0.515 . . . . 0.0 110.293 177.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . 0.489 ' O ' ' HB3' ' B' ' 22' ' ' SER . 30.9 m -87.58 -1.6 8.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.065 178.254 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.53 179.035 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 N-CA-C 112.415 -0.274 . . . . 0.0 112.415 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' -4' ' ' SER . . . . . . . . . . . . . 20.3 t -146.76 126.82 13.71 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.841 0.353 . . . . 0.0 110.394 179.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' -3' ' ' GLY . . . . . . . . . . . . . . . -93.07 -0.71 67.87 Favored Glycine 0 N--CA 1.447 -0.613 0 C-N-CA 120.878 -0.677 . . . . 0.0 112.312 -179.614 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' -2' ' ' ASN . . . . . . . . . . . . . 16.7 m120 -86.77 73.55 9.97 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.17 0.51 . . . . 0.0 109.707 178.235 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' -1' ' ' SER . . . . . 0.418 ' HB3' ' N ' ' A' ' 4' ' ' GLY . 16.2 m -81.71 43.12 0.74 Allowed 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.378 -174.482 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 28.9 m -78.85 -23.87 13.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.369 178.748 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 2' ' ' THR . . . . . 0.464 ' O ' ' HA ' ' A' ' 3' ' ' SER . 10.0 t -96.24 170.52 9.19 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.72 177.701 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 3' ' ' SER . . . . . 0.512 ' HA ' ' OG ' ' A' ' 3' ' ' SER . 58.9 m -154.17 105.36 2.7 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.941 0.4 . . . . 0.0 110.043 178.424 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -94.38 114.65 4.84 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.323 -176.434 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -62.35 -51.68 54.72 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 121.071 -0.585 . . . . 0.0 112.177 179.676 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 6' ' ' TYR . . . . . 0.51 ' HA ' ' O ' ' B' ' 9' ' ' GLY . 9.1 p90 -64.16 -9.06 14.52 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 122.651 0.38 . . . . 0.0 111.589 -179.033 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -84.61 -38.1 9.98 Favored Glycine 0 N--CA 1.447 -0.612 0 C-N-CA 120.854 -0.689 . . . . 0.0 111.857 179.361 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 14.2 m-85 -71.05 -56.52 5.97 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.478 0.656 . . . . 0.0 109.755 174.414 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . 0.51 ' O ' ' HA ' ' B' ' 6' ' ' TYR . . . -153.45 -174.62 23.92 Favored Glycine 0 N--CA 1.439 -1.134 0 N-CA-C 108.978 -1.649 . . . . 0.0 108.978 176.73 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 71.1 p -132.36 165.29 24.56 Favored 'General case' 0 C--N 1.31 -1.119 0 CA-C-N 118.456 1.128 . . . . 0.0 110.902 -179.243 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 19.7 m -72.93 80.45 1.18 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.222 0.534 . . . . 0.0 111.183 -177.299 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -125.49 13.02 8.13 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.45 177.297 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . 66.62 0.91 1.98 Allowed 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 115.537 -0.756 . . . . 0.0 112.88 179.607 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.76 -57.15 9.71 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.018 0.437 . . . . 0.0 111.136 -179.389 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 15' ' ' GLY . . . . . 0.559 ' HA3' ' N ' ' B' ' 25' ' ' GLY . . . 103.71 -162.25 15.67 Favored Glycine 0 N--CA 1.445 -0.736 0 C-N-CA 120.507 -0.854 . . . . 0.0 112.145 178.507 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . 58.82 78.64 0.25 Allowed 'General case' 0 C--O 1.233 0.227 0 CA-C-O 121.193 0.52 . . . . 0.0 111.283 -179.424 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 66.26 52.73 33.87 Favored Glycine 0 C--O 1.226 -0.391 0 CA-C-N 115.488 -0.778 . . . . 0.0 113.069 -177.735 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . 0.558 ' CG2' ' HA ' ' B' ' 23' ' ' TYR . 0.8 OUTLIER -83.98 -20.8 8.74 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.457 0 CA-C-O 120.841 0.353 . . . . 0.0 111.722 177.435 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -152.74 -176.04 5.57 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.254 -179.263 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -74.5 -43.62 55.12 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.427 -177.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -129.19 9.99 6.23 Favored Glycine 0 N--CA 1.453 -0.223 0 C-N-CA 120.414 -0.898 . . . . 0.0 113.309 -175.464 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 22' ' ' SER . . . . . 0.489 ' HB3' ' O ' ' A' ' 119' ' ' VAL . 7.1 m -136.48 137.59 40.51 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.603 0.239 . . . . 0.0 110.741 179.783 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 23' ' ' TYR . . . . . 0.558 ' HA ' ' CG2' ' B' ' 18' ' ' VAL . 0.3 OUTLIER -147.31 136.28 22.26 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.258 -177.835 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . 0.402 ' HA ' HG22 ' B' ' 27' ' ' VAL . . . -101.34 -13.37 18.05 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.927 -178.155 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . 0.559 ' N ' ' HA3' ' B' ' 15' ' ' GLY . . . -67.52 -31.48 76.64 Favored Glycine 0 CA--C 1.509 -0.291 0 C-N-CA 120.456 -0.878 . . . . 0.0 111.594 -178.341 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.78 -20.59 66.46 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.349 0.595 . . . . 0.0 110.809 175.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . 0.427 HG23 ' CD1' ' B' ' 81' ' ' LEU . 2.3 t -91.18 -44.33 14.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.176 -178.471 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 59.3 m-20 -68.92 -15.26 63.44 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.348 -0.842 . . . . 0.0 111.491 -173.333 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 68.4 ttt180 -88.22 -6.02 58.05 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.828 -178.471 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . 0.461 HD12 ' HB3' ' B' ' 81' ' ' LEU . 87.0 mt -71.38 -25.73 62.49 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.233 -176.478 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 10.3 p -79.09 1.3 24.66 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.983 0.42 . . . . 0.0 111.113 179.463 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 55.6 m -89.12 152.66 21.51 Favored 'General case' 0 N--CA 1.442 -0.835 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.472 177.587 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.73 -21.02 65.5 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.239 -179.606 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -52.74 -58.4 6.99 Favored 'General case' 0 CA--C 1.52 -0.186 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.271 176.548 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 35' ' ' ALA . . . . . 0.604 ' O ' HG21 ' B' ' 39' ' ' VAL . . . -60.42 -55.96 27.24 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.562 179.086 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -47.54 -36.36 10.34 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 115.945 -0.571 . . . . 0.0 112.141 -176.175 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 23.1 t -68.08 -32.82 73.42 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.331 -0.395 . . . . 0.0 112.064 -178.546 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 38' ' ' ARG . . . . . 0.414 ' NH1' ' HA3' ' B' ' 64' ' ' GLY . 49.3 mtt-85 -96.99 -37.5 10.15 Favored 'General case' 0 CA--C 1.516 -0.336 0 CA-C-O 121.384 0.611 . . . . 0.0 110.572 -175.237 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . 0.604 HG21 ' O ' ' B' ' 35' ' ' ALA . 24.2 t -61.94 -39.2 82.75 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.868 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.181 178.736 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 91.2 p -78.15 -6.75 55.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.974 0.416 . . . . 0.0 111.07 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 48.5 t -90.3 -15.32 31.45 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.321 0.581 . . . . 0.0 110.177 179.786 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 39.8 m-80 -117.65 -3.63 11.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.215 -175.094 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 43' ' ' ILE . . . . . 0.49 HG22 ' O ' ' B' ' 39' ' ' VAL . 6.4 pt -57.8 -43.62 84.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.971 0.415 . . . . 0.0 111.086 177.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . 0.485 ' N ' HG13 ' B' ' 43' ' ' ILE . . . -77.13 -12.04 59.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.84 -175.559 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -79.89 -51.82 8.64 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.839 -0.618 . . . . 0.0 109.76 178.341 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 37.3 mt -66.98 -35.32 74.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.264 -179.635 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . 0.433 ' HB1' HD12 ' A' ' 96' ' ' ILE . . . -63.54 -19.92 65.19 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.445 178.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 44.1 m -104.68 -35.18 7.89 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.548 -176.795 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -95.86 -19.31 29.45 Favored Glycine 0 CA--C 1.519 0.313 0 C-N-CA 120.463 -0.875 . . . . 0.0 113.191 -177.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 73.39 -75.46 0.99 Allowed Glycine 0 C--O 1.225 -0.43 0 N-CA-C 111.721 -0.552 . . . . 0.0 111.721 179.635 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -124.58 -21.1 4.93 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.478 -0.361 . . . . 0.0 110.794 -179.292 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 15.3 t -75.3 -13.02 60.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.097 0.475 . . . . 0.0 110.223 -178.364 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -87.85 -19.4 27.46 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.606 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 54' ' ' LEU . . . . . 0.434 ' N ' ' HD2' ' B' ' 55' ' ' PRO . 49.5 mt -52.98 -57.98 14.07 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.979 -176.481 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 55' ' ' PRO . . . . . 0.434 ' HD2' ' N ' ' B' ' 54' ' ' LEU . 20.5 Cg_endo -61.34 -25.12 79.82 Favored 'Trans proline' 0 C--N 1.352 0.74 0 C-N-CA 122.157 1.904 . . . . 0.0 112.453 -177.42 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 48.5 m -84.23 -39.59 19.12 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.788 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 63.1 t -76.22 -39.08 34.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.094 -174.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 58' ' ' ILE . . . . . 0.454 HG12 HD23 ' B' ' 83' ' ' LEU . 62.2 mt -57.03 -43.64 81.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.031 174.766 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 32.6 t -67.43 -39.53 85.46 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.571 -177.774 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 81.9 m-20 -61.01 -43.81 98.33 Favored 'General case' 0 CA--C 1.519 -0.224 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.095 179.119 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . 0.44 ' O ' HG23 ' B' ' 65' ' ' VAL . 63.2 mt -79.54 -48.36 21.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 115.714 -0.676 . . . . 0.0 111.428 -178.315 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 62' ' ' TYR . . . . . 0.488 ' O ' HG22 ' B' ' 66' ' ' VAL . 45.7 t80 -55.22 -54.39 44.03 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.566 -0.288 . . . . 0.0 110.894 -176.05 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 19.6 m -60.94 -29.75 69.81 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.83 -179.232 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . 0.414 ' HA3' ' NH1' ' B' ' 38' ' ' ARG . . . -73.21 -44.42 35.23 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.947 -0.644 . . . . 0.0 111.799 178.413 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 65' ' ' VAL . . . . . 0.44 HG23 ' O ' ' B' ' 61' ' ' ILE . 85.7 t -65.17 -42.56 94.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-O 120.874 0.369 . . . . 0.0 111.083 179.841 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 66' ' ' VAL . . . . . 0.488 HG22 ' O ' ' B' ' 62' ' ' TYR . 90.1 t -60.58 -46.3 95.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.746 179.661 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.91 -14.92 63.35 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.313 178.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 27.8 t -78.22 -15.5 58.74 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.848 -179.105 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 101.28 27.91 7.05 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.216 -0.992 . . . . 0.0 113.211 176.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . 0.432 HG23 ' N ' ' B' ' 71' ' ' SER . 11.6 p -80.31 166.36 2.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 N-CA-C 110.25 -0.278 . . . . 0.0 110.25 177.787 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 71' ' ' SER . . . . . 0.432 ' N ' HG23 ' B' ' 70' ' ' VAL . 47.2 t -69.38 151.32 46.29 Favored 'General case' 0 N--CA 1.454 -0.255 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 172.616 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 7.2 p -56.5 -64.02 1.0 Allowed 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.985 0.735 . . . . 0.0 112.985 -170.426 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 73' ' ' ASN . . . . . 0.444 ' HB3' ' OH ' ' B' ' 23' ' ' TYR . 3.2 t30 -76.72 -18.53 58.45 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 120.634 -0.426 . . . . 0.0 110.818 -176.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -74.27 -23.41 59.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.143 0.497 . . . . 0.0 109.855 177.725 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.26 -39.9 88.44 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.538 176.036 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -56.0 -48.3 76.16 Favored 'General case' 0 CA--C 1.516 -0.335 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.628 177.496 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 77' ' ' ILE . . . . . 0.612 ' O ' ' HG ' ' B' ' 81' ' ' LEU . 40.2 mm -64.27 -53.75 39.47 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-N 115.399 -0.819 . . . . 0.0 111.242 -177.547 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 78' ' ' GLN . . . . . . . . . . . . . 14.3 tt0 -58.4 -46.74 85.82 Favored 'General case' 0 N--CA 1.465 0.32 0 C-N-CA 121.176 -0.21 . . . . 0.0 111.024 179.533 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -59.82 -41.02 90.36 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.037 0.446 . . . . 0.0 110.451 -179.702 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 80' ' ' LEU . . . . . 0.664 ' O ' HD23 ' B' ' 84' ' ' LEU . 2.2 mm? -64.99 -45.65 84.71 Favored 'General case' 0 N--CA 1.446 -0.673 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.073 176.215 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . 0.612 ' HG ' ' O ' ' B' ' 77' ' ' ILE . 14.0 mt -68.17 -36.72 80.06 Favored 'General case' 0 C--N 1.322 -0.591 0 O-C-N 122.238 -0.288 . . . . 0.0 111.613 -175.645 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -64.8 -27.2 68.72 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.091 0.472 . . . . 0.0 110.785 172.608 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 83' ' ' LEU . . . . . 0.543 ' O ' ' HG ' ' B' ' 87' ' ' LEU . 35.1 tp -76.97 -43.25 35.75 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.035 0.445 . . . . 0.0 110.56 174.586 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 84' ' ' LEU . . . . . 0.664 HD23 ' O ' ' B' ' 80' ' ' LEU . 4.0 mm? -63.46 -11.66 25.32 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.518 -0.765 . . . . 0.0 112.053 -177.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 1.5 p -101.11 -27.59 13.16 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 120.645 0.259 . . . . 0.0 110.909 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -70.64 -46.73 62.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.293 0.568 . . . . 0.0 110.554 -178.752 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 87' ' ' LEU . . . . . 0.543 ' HG ' ' O ' ' B' ' 83' ' ' LEU . 1.1 pp -77.2 -17.13 58.75 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.485 -0.779 . . . . 0.0 112.822 -172.783 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 88' ' ' VAL . . . . . 0.4 HG11 HD11 ' A' ' 54' ' ' LEU . 18.7 m -93.02 -24.61 5.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 C-N-CA 120.3 -0.56 . . . . 0.0 110.812 176.702 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 89' ' ' HIS . . . . . 0.413 ' CD2' HG23 ' A' ' 104' ' ' VAL . 73.5 t60 -67.55 -32.74 73.72 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.106 178.006 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 90' ' ' VAL . . . . . 0.456 HG21 ' O ' ' B' ' 87' ' ' LEU . 19.1 m -64.79 -27.86 43.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.201 -177.031 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 91' ' ' LEU . . . . . 0.452 ' HA ' ' HB3' ' B' ' 94' ' ' ALA . 3.7 mm? -62.48 -25.49 68.03 Favored 'General case' 0 CA--C 1.52 -0.199 0 CA-C-O 120.983 0.42 . . . . 0.0 110.641 178.508 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 48.8 m -60.87 -22.57 64.39 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.272 179.677 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 23.2 t -130.01 18.63 5.53 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-O 121.201 0.524 . . . . 0.0 110.037 177.146 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 94' ' ' ALA . . . . . 0.452 ' HB3' ' HA ' ' B' ' 91' ' ' LEU . . . -115.19 90.65 3.39 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.286 178.569 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 8.6 t -73.09 94.48 1.92 Allowed 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 179.174 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 96' ' ' ILE . . . . . 0.412 HD11 ' HB3' ' A' ' 47' ' ' ALA . 20.4 tt -69.01 146.72 12.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.679 -175.78 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 97' ' ' GLY . . . . . . . . . . . . . . . -89.95 -86.83 1.32 Allowed Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 121.08 -0.581 . . . . 0.0 112.8 -179.181 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 98' ' ' ASN . . . . . . . . . . . . . 9.3 t30 -150.47 111.68 4.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.733 0.267 . . . . 0.0 110.702 -176.429 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 99' ' ' VAL . . . . . 0.423 HG13 ' HA ' ' A' ' 90' ' ' VAL . 8.4 m -103.25 148.65 8.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 120.969 0.414 . . . . 0.0 111.465 -178.031 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 100' ' ' SER . . . . . . . . . . . . . 50.5 m -123.19 162.84 21.78 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.375 -178.725 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 101' ' ' SER . . . . . 0.45 ' CB ' ' HB2' ' A' ' 40' ' ' SER . 6.7 p -82.55 24.48 0.7 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.853 -176.831 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 43.3 t -109.29 114.32 46.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 120.769 0.318 . . . . 0.0 110.995 -174.285 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . 111.61 -8.2 28.1 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 121.085 -0.579 . . . . 0.0 112.543 175.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 104' ' ' VAL . . . . . 0.41 ' O ' HD11 ' B' ' 108' ' ' LEU . 33.5 t -60.96 -34.01 58.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 178.683 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -50.07 -48.11 53.23 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.233 -0.894 . . . . 0.0 110.284 175.435 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 39.9 m -78.21 -32.85 50.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.49 -0.777 . . . . 0.0 111.506 -177.292 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 28.0 m -59.5 -36.4 75.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.379 0.609 . . . . 0.0 109.998 175.216 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 108' ' ' LEU . . . . . 0.614 ' O ' ' HG3' ' B' ' 112' ' ' GLN . 3.3 mt -62.52 -28.38 69.81 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.345 -0.843 . . . . 0.0 111.424 177.684 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 109' ' ' ASN . . . . . 0.471 HD21 ' N ' ' B' ' 109' ' ' ASN . 0.9 OUTLIER -68.63 -28.94 67.35 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.229 0.538 . . . . 0.0 110.215 178.818 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 110' ' ' VAL . . . . . . . . . . . . . 23.1 t -82.69 -37.34 14.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.888 -177.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 111' ' ' VAL . . . . . 0.563 HG11 ' O ' ' B' ' 108' ' ' LEU . 7.8 p -64.31 -31.83 55.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-O 121.128 0.489 . . . . 0.0 110.038 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 112' ' ' GLN . . . . . 0.614 ' HG3' ' O ' ' B' ' 108' ' ' LEU . 27.2 mt-30 -65.3 -32.79 74.63 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.381 178.568 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 113' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -73.35 -34.49 65.64 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.289 -0.869 . . . . 0.0 110.789 -178.136 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 15.3 m -76.84 -37.58 55.38 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.312 -0.858 . . . . 0.0 112.204 -170.126 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 115' ' ' VAL . . . . . 0.494 HG12 ' CD2' ' A' ' 81' ' ' LEU . 14.7 p -118.87 -19.89 5.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 C-N-CA 120.779 -0.369 . . . . 0.0 111.98 -173.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 116' ' ' GLY . . . . . . . . . . . . . . . -61.51 -17.48 53.58 Favored Glycine 0 C--O 1.228 -0.269 0 C-N-CA 121.218 -0.515 . . . . 0.0 113.027 -176.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.75 1.76 56.94 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.664 0.269 . . . . 0.0 111.236 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 118' ' ' TYR . . . . . . . . . . . . . 77.9 m-85 -112.99 -32.35 6.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.043 0.449 . . . . 0.0 110.163 177.522 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 119' ' ' VAL . . . . . . . . . . . . . 33.8 m -88.16 -2.47 8.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.35 178.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.215 0 CA-C-O 118.262 -1.299 . . . . 0.0 112.055 179.859 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.761 0 N-CA-C 112.268 -0.333 . . . . 0.0 112.268 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 5.6 p -80.39 157.26 26.34 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.144 0.497 . . . . 0.0 111.436 -178.246 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . 179.72 152.19 10.55 Favored Glycine 0 N--CA 1.447 -0.633 0 N-CA-C 110.868 -0.893 . . . . 0.0 110.868 179.201 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' -2' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -80.66 77.3 7.5 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.102 0.477 . . . . 0.0 111.746 -176.729 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 10.4 p -94.0 113.36 25.33 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.565 173.583 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 28.1 m -63.63 138.98 22.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 121.353 0.597 . . . . 0.0 111.771 -176.121 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 20.6 p -70.79 105.6 3.27 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.133 -179.171 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.0 m -79.73 89.67 5.19 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.053 178.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -103.7 175.94 23.7 Favored Glycine 0 N--CA 1.45 -0.379 0 CA-C-N 115.764 -0.653 . . . . 0.0 112.683 -176.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 105.13 -19.23 40.93 Favored Glycine 0 N--CA 1.453 -0.219 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 -177.32 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 40.6 p90 -151.18 169.26 22.32 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 178.33 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 75.04 170.15 26.05 Favored Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 120.359 -0.924 . . . . 0.0 111.267 -175.268 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.595 ' HB3' ' O ' ' A' ' 18' ' ' VAL . 21.5 m-85 61.1 -74.67 0.03 OUTLIER 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 123.071 0.548 . . . . 0.0 111.599 -175.671 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -149.93 90.75 0.14 Allowed Glycine 0 N--CA 1.443 -0.879 0 N-CA-C 110.643 -0.983 . . . . 0.0 110.643 178.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 20.8 p -66.32 -39.09 89.03 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 111.834 0.309 . . . . 0.0 111.834 -175.584 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 16.0 m -142.59 172.75 12.27 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 116.303 -0.408 . . . . 0.0 109.913 179.713 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -72.13 78.0 0.95 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.303 0.573 . . . . 0.0 111.4 178.001 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -127.31 10.93 6.86 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.468 175.781 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -169.22 177.45 4.78 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.052 -0.976 . . . . 0.0 109.39 -178.168 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -150.67 -172.86 20.24 Favored Glycine 0 N--CA 1.446 -0.645 0 C-N-CA 120.623 -0.799 . . . . 0.0 111.806 179.65 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.48 ' HA ' ' OE1' ' A' ' 74' ' ' GLU . . . 62.49 92.02 0.06 Allowed 'General case' 0 C--O 1.234 0.258 0 CA-C-O 121.328 0.585 . . . . 0.0 111.644 179.293 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 62.28 44.18 98.04 Favored Glycine 0 CA--C 1.519 0.312 0 CA-C-N 115.415 -0.811 . . . . 0.0 113.137 -179.432 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.63 ' CG2' ' HA ' ' A' ' 23' ' ' TYR . 0.2 OUTLIER -78.27 -60.47 2.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.96 0.38 . . . . 0.0 111.358 178.656 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -107.78 -172.95 2.17 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 110.245 -0.28 . . . . 0.0 110.245 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -69.44 -48.12 61.92 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.854 0.359 . . . . 0.0 111.128 -177.665 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -135.74 26.09 3.19 Favored Glycine 0 CA--C 1.506 -0.49 0 N-CA-C 111.48 -0.648 . . . . 0.0 111.48 -178.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.504 ' HB3' ' O ' ' B' ' 119' ' ' VAL . 26.7 m -139.42 130.17 26.04 Favored 'General case' 0 N--CA 1.444 -0.769 0 CA-C-N 115.239 -0.48 . . . . 0.0 109.941 -179.636 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.63 ' HA ' ' CG2' ' A' ' 18' ' ' VAL . 0.2 OUTLIER -149.54 129.22 13.2 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.262 -177.784 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -89.41 -14.0 36.44 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.071 -179.685 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.475 ' HA2' HD22 ' A' ' 28' ' ' ASN . . . -66.17 -32.37 82.04 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.814 -0.707 . . . . 0.0 112.236 -178.767 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.451 ' HB3' ' HB2' ' A' ' 78' ' ' GLN . . . -77.71 -3.29 40.4 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.0 0.429 . . . . 0.0 111.18 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.2 t -100.65 -51.87 9.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 C-N-CA 120.762 -0.375 . . . . 0.0 110.655 -176.151 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.475 HD22 ' HA2' ' A' ' 25' ' ' GLY . 7.6 p30 -68.11 -18.42 64.64 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.027 0.441 . . . . 0.0 110.774 -176.823 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 10.9 ttt85 -72.95 -14.65 61.5 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.053 178.287 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.484 ' HB3' HD13 ' B' ' 108' ' ' LEU . 92.3 mt -65.13 -27.15 68.54 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.804 -178.434 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 63.7 p -75.25 1.87 12.47 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.938 0.399 . . . . 0.0 111.232 -177.191 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 39.0 t -84.58 151.44 24.53 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 177.276 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.87 -19.79 53.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.289 -178.839 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.448 ' HB3' ' NH2' ' A' ' 38' ' ' ARG . 30.0 mt-10 -54.1 -56.63 16.21 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.558 -0.747 . . . . 0.0 110.885 178.141 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.471 ' O ' HG22 ' A' ' 39' ' ' VAL . . . -59.9 -48.13 82.95 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.552 179.009 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.07 -7.02 7.43 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.047 -0.524 . . . . 0.0 112.165 -176.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 49.6 m -99.94 -22.64 15.2 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.647 0.261 . . . . 0.0 111.506 176.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.449 ' HD2' ' OE1' ' A' ' 82' ' ' GLU . 49.6 mtt180 -94.8 -53.13 3.97 Favored 'General case' 0 CA--C 1.512 -0.489 0 N-CA-C 108.979 -0.749 . . . . 0.0 108.979 -179.404 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.507 ' O ' HG23 ' A' ' 43' ' ' ILE . 52.0 t -54.85 -36.8 38.76 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 114.04 -1.437 . . . . 0.0 111.273 -179.106 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 48.7 p -74.09 -10.92 60.11 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.778 -177.673 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 22.7 t -97.22 -10.71 25.29 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.747 0.784 . . . . 0.0 109.066 177.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 14.0 m120 -99.24 -25.17 14.59 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.038 -0.983 . . . . 0.0 109.746 -175.289 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.575 HG13 ' N ' ' A' ' 44' ' ' ALA . 7.1 pt -54.97 -41.75 60.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.138 -0.937 . . . . 0.0 111.363 179.403 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.575 ' N ' HG13 ' A' ' 43' ' ' ILE . . . -81.63 -5.14 57.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.148 0.499 . . . . 0.0 111.121 -175.422 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -95.68 -51.91 4.32 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.102 178.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 53.3 mt -66.37 -34.78 72.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.649 -179.114 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.26 -20.29 65.33 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.293 179.439 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 14.0 t -95.85 -39.88 9.6 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.154 -176.317 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -100.26 -20.26 16.25 Favored Glycine 0 CA--C 1.519 0.32 0 C-N-CA 120.627 -0.797 . . . . 0.0 113.55 -174.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 75.7 -79.66 1.1 Allowed Glycine 0 N--CA 1.447 -0.596 0 N-CA-C 111.399 -0.68 . . . . 0.0 111.399 -179.054 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -117.97 -19.67 9.06 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-O 121.058 0.456 . . . . 0.0 110.386 178.679 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 16.0 m -71.06 -14.99 62.51 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.458 -179.024 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -92.27 -13.68 30.03 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.835 -179.191 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.437 ' N ' ' HD2' ' A' ' 55' ' ' PRO . 45.5 mt -56.2 -57.91 19.71 Favored Pre-proline 0 C--N 1.326 -0.416 0 CA-C-N 116.089 -0.505 . . . . 0.0 112.069 -176.419 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.437 ' HD2' ' N ' ' A' ' 54' ' ' LEU . 18.2 Cg_endo -60.26 -26.59 82.98 Favored 'Trans proline' 0 C--N 1.351 0.672 0 C-N-CA 121.967 1.778 . . . . 0.0 112.191 -176.682 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 9.0 m -82.6 -41.09 19.95 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.03 -178.623 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 75.6 t -80.04 -38.06 18.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.731 -172.57 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.45 HG12 HD23 ' A' ' 83' ' ' LEU . 66.0 mt -57.25 -43.14 81.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.323 176.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 6.1 t -67.49 -36.84 81.88 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.035 -177.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 90.7 m-20 -61.25 -54.26 46.32 Favored 'General case' 0 CA--C 1.518 -0.252 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.982 178.234 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.457 ' O ' HG22 ' A' ' 65' ' ' VAL . 38.9 mt -66.76 -43.62 89.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.191 -177.522 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.475 ' O ' HG22 ' A' ' 66' ' ' VAL . 46.6 t80 -57.18 -55.56 33.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.891 -176.723 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 23.2 m -59.14 -34.01 71.56 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.647 179.405 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -65.71 -42.02 95.52 Favored Glycine 0 N--CA 1.453 -0.221 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.909 178.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.457 HG22 ' O ' ' A' ' 61' ' ' ILE . 79.3 t -73.03 -42.4 59.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-O 120.566 0.222 . . . . 0.0 111.191 -179.395 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.475 HG22 ' O ' ' A' ' 62' ' ' TYR . 85.1 t -59.77 -39.2 79.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 121.065 0.46 . . . . 0.0 110.854 -179.876 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -74.13 -2.12 23.2 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.537 179.444 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 14.5 t -94.16 -6.06 45.7 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.607 -179.575 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 92.92 26.62 16.09 Favored Glycine 0 CA--C 1.521 0.408 0 C-N-CA 120.601 -0.809 . . . . 0.0 112.943 176.737 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.445 HG13 HG13 ' A' ' 65' ' ' VAL . 9.9 p -80.82 160.77 3.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 N-CA-C 110.307 -0.257 . . . . 0.0 110.307 178.561 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 42.0 t -64.59 145.11 56.65 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 172.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 16.4 p -53.62 -63.13 1.25 Allowed 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 112.599 0.592 . . . . 0.0 112.599 -171.703 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -69.96 -24.92 63.42 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.945 0.402 . . . . 0.0 110.626 -176.186 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.48 ' OE1' ' HA ' ' A' ' 16' ' ' ALA . 44.5 tt0 -73.77 -23.78 59.77 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.04 0.448 . . . . 0.0 110.526 -179.226 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.65 -36.05 75.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.85 -0.613 . . . . 0.0 111.021 178.142 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -59.44 -47.18 86.47 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 178.071 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.709 ' O ' ' HG ' ' A' ' 81' ' ' LEU . 41.1 mm -63.7 -56.37 17.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.787 -179.263 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . 0.451 ' HB2' ' HB3' ' A' ' 26' ' ' ALA . 30.5 tp60 -53.8 -48.38 69.9 Favored 'General case' 0 N--CA 1.466 0.337 0 O-C-N 123.166 0.291 . . . . 0.0 111.032 179.294 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.47 -39.86 94.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.127 -179.011 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.618 ' O ' HD21 ' A' ' 84' ' ' LEU . 6.6 mt -69.18 -41.44 77.17 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.936 178.092 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.709 ' HG ' ' O ' ' A' ' 77' ' ' ILE . 84.4 mt -60.98 -40.23 92.64 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.055 0.455 . . . . 0.0 110.438 179.234 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.449 ' OE1' ' HD2' ' A' ' 38' ' ' ARG . 44.3 mt-10 -67.85 -35.35 78.41 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.611 174.554 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.45 HD23 HG12 ' A' ' 58' ' ' ILE . 54.0 tp -67.73 -44.39 77.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.022 0.439 . . . . 0.0 110.764 178.66 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.618 HD21 ' O ' ' A' ' 80' ' ' LEU . 4.2 mm? -63.15 -11.71 22.43 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.419 -179.005 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.42 ' OG ' HD12 ' B' ' 108' ' ' LEU . 41.4 m -94.13 -31.7 14.06 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.843 0.354 . . . . 0.0 110.912 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -70.29 -43.15 70.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.232 0.539 . . . . 0.0 110.724 -176.702 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.447 ' HG ' ' O ' ' A' ' 83' ' ' LEU . 1.2 pp -81.59 -15.82 53.53 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.56 -0.745 . . . . 0.0 112.889 -172.439 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.434 ' N ' HD12 ' A' ' 87' ' ' LEU . 18.1 m -94.56 -23.88 5.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 C-N-CA 120.478 -0.489 . . . . 0.0 110.636 175.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 73.7 t60 -65.44 -35.43 80.91 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.792 177.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 26.9 m -65.88 -27.9 42.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.697 -175.611 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.436 ' HA ' ' HB1' ' A' ' 94' ' ' ALA . 3.4 mm? -64.56 -23.05 67.14 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.214 -178.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 44.3 t -59.31 -30.43 68.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.002 0.429 . . . . 0.0 110.944 -179.82 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 9.5 t -121.42 9.9 10.41 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.458 0.647 . . . . 0.0 109.992 -178.509 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . 0.436 ' HB1' ' HA ' ' A' ' 91' ' ' LEU . . . -104.94 93.04 4.5 Favored 'General case' 0 N--CA 1.447 -0.615 0 CA-C-N 115.833 -0.622 . . . . 0.0 110.377 -179.703 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 10.7 t -73.18 88.71 1.49 Allowed 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 178.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.419 HD12 ' CG1' ' A' ' 99' ' ' VAL . 19.6 tt -66.89 144.83 14.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 115.465 -0.789 . . . . 0.0 111.668 -177.829 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -88.22 -110.93 1.07 Allowed Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.072 178.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -125.46 111.81 15.53 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.931 0.396 . . . . 0.0 110.851 -179.747 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.422 HG11 ' HA ' ' B' ' 90' ' ' VAL . 4.2 m -94.29 136.35 25.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.996 179.502 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 20.7 m -91.47 147.63 22.89 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 115.901 -0.59 . . . . 0.0 109.878 179.108 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 13.5 m -86.52 7.62 25.33 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.227 0.537 . . . . 0.0 110.563 -179.411 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 5.8 p -109.82 123.5 65.76 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.659 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.91 -178.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 116.02 -11.56 17.57 Favored Glycine 0 N--CA 1.448 -0.512 0 CA-C-N 115.635 -0.711 . . . . 0.0 112.158 179.414 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 61.7 t -58.51 -32.24 45.29 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-O 120.666 0.27 . . . . 0.0 110.658 178.729 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -46.69 -42.03 15.89 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.261 178.114 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 46.8 m -73.54 -25.65 60.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.736 -0.666 . . . . 0.0 111.546 -177.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 14.3 m -72.53 -28.72 63.03 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.408 0.623 . . . . 0.0 109.766 179.001 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.522 HD11 ' HB3' ' B' ' 30' ' ' LEU . 4.3 mm? -65.1 -24.75 67.53 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.567 175.05 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . 0.436 ' N ' HD21 ' A' ' 109' ' ' ASN . 0.9 OUTLIER -74.17 -36.9 64.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.007 -179.003 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 10.7 p -83.55 -27.13 7.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.768 0.318 . . . . 0.0 111.639 -174.289 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.433 HG11 ' O ' ' A' ' 108' ' ' LEU . 8.8 p -67.27 -28.46 42.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 121.379 0.609 . . . . 0.0 110.238 178.859 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . 0.488 ' HG3' ' O ' ' A' ' 108' ' ' LEU . 24.7 mt-30 -70.89 -20.59 62.49 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.843 179.5 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -83.32 -34.0 25.78 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.622 -173.474 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 14.3 p -84.11 -46.89 11.47 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.277 -0.874 . . . . 0.0 112.034 -171.449 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . 0.43 HG11 HD21 ' B' ' 81' ' ' LEU . 13.8 p -106.09 -14.11 9.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-O 121.121 0.486 . . . . 0.0 111.179 -174.785 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -63.86 -16.69 59.7 Favored Glycine 0 N--CA 1.452 -0.295 0 CA-C-N 115.885 -0.598 . . . . 0.0 112.726 -178.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -96.75 9.29 42.16 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.824 0.345 . . . . 0.0 110.837 178.726 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 61.3 m-85 -119.98 -31.09 4.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.964 0.412 . . . . 0.0 110.24 176.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 30.9 m -85.99 -0.34 6.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.132 176.096 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.469 0 C-N-CA 120.914 -0.66 . . . . 0.0 111.876 179.056 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.249 0 N-CA-C 111.943 -0.463 . . . . 0.0 111.943 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' -4' ' ' SER . . . . . . . . . . . . . 30.2 p -149.76 168.84 22.53 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.655 0.264 . . . . 0.0 110.564 -178.577 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' -3' ' ' GLY . . . . . . . . . . . . . . . 153.51 -163.31 30.68 Favored Glycine 0 N--CA 1.446 -0.655 0 N-CA-C 111.465 -0.654 . . . . 0.0 111.465 -179.728 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' -2' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -89.5 79.34 6.93 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.377 0.608 . . . . 0.0 110.124 178.812 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' -1' ' ' SER . . . . . . . . . . . . . 13.7 m -79.0 99.85 7.05 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.417 -0.81 . . . . 0.0 110.11 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 60.5 t -112.86 116.49 52.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.448 -179.568 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 17.0 p -81.77 93.63 6.86 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.182 179.17 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 12.9 m -66.83 131.9 46.89 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.884 178.839 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . 128.1 -54.47 0.78 Allowed Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 120.416 -0.897 . . . . 0.0 113.156 175.704 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . 91.8 -47.95 2.76 Favored Glycine 0 N--CA 1.453 -0.203 0 N-CA-C 110.852 -0.899 . . . . 0.0 110.852 -174.031 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 6' ' ' TYR . . . . . . . . . . . . . 34.4 p90 -67.37 133.45 49.63 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 171.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -168.29 168.63 41.02 Favored Glycine 0 N--CA 1.444 -0.802 0 N-CA-C 110.062 -1.215 . . . . 0.0 110.062 178.05 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 45.2 m-85 48.63 -89.64 0.02 OUTLIER 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 123.128 0.571 . . . . 0.0 111.258 -175.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -105.33 88.76 0.59 Allowed Glycine 0 N--CA 1.442 -0.957 0 N-CA-C 110.246 -1.142 . . . . 0.0 110.246 172.578 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 75.9 p -71.0 3.82 3.09 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 112.333 0.494 . . . . 0.0 112.333 -173.532 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 46.2 m -154.07 -172.44 4.22 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 -176.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -77.9 13.18 1.45 Allowed 'General case' 0 CA--C 1.53 0.209 0 CA-C-O 121.136 0.493 . . . . 0.0 111.423 -179.511 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -70.54 -19.49 62.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.669 177.123 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -145.3 168.52 20.26 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.268 178.5 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 15' ' ' GLY . . . . . 0.498 ' O ' ' HA3' ' B' ' 25' ' ' GLY . . . -163.87 90.43 0.1 Allowed Glycine 0 N--CA 1.445 -0.701 0 C-N-CA 119.78 -1.2 . . . . 0.0 113.122 -179.026 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 16' ' ' ALA . . . . . 0.405 ' HB1' ' O ' ' B' ' 15' ' ' GLY . . . 174.99 94.71 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 123.353 0.661 . . . . 0.0 109.406 173.729 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 54.69 54.1 35.08 Favored Glycine 0 N--CA 1.449 -0.44 0 N-CA-C 111.211 -0.755 . . . . 0.0 111.211 -172.525 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . 0.43 HG23 ' H ' ' B' ' 19' ' ' ALA . 0.5 OUTLIER -88.43 -67.8 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 N-CA-C 112.157 0.429 . . . . 0.0 112.157 -174.678 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 19' ' ' ALA . . . . . 0.43 ' H ' HG23 ' B' ' 18' ' ' VAL . . . -102.29 172.9 6.62 Favored 'General case' 0 C--N 1.316 -0.861 0 C-N-CA 120.997 -0.281 . . . . 0.0 110.327 -175.686 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.81 -46.14 90.16 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.825 0.345 . . . . 0.0 111.232 -178.302 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -135.6 37.96 1.85 Allowed Glycine 0 N--CA 1.448 -0.56 0 C-N-CA 120.604 -0.808 . . . . 0.0 111.98 -177.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 8.3 m -155.01 129.67 9.23 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.609 -0.296 . . . . 0.0 110.532 179.804 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 23' ' ' TYR . . . . . 0.424 ' CE1' ' HA ' ' B' ' 74' ' ' GLU . 0.3 OUTLIER -148.57 117.45 6.71 Favored 'General case' 0 N--CA 1.446 -0.644 0 CA-C-N 116.123 -0.49 . . . . 0.0 109.693 -178.038 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -87.16 -15.34 38.65 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.574 -177.551 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . 0.498 ' HA3' ' O ' ' B' ' 15' ' ' GLY . . . -70.54 -18.8 75.83 Favored Glycine 0 CA--C 1.506 -0.486 0 C-N-CA 120.818 -0.706 . . . . 0.0 111.999 179.05 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 26' ' ' ALA . . . . . 0.472 ' HB3' ' HB2' ' B' ' 78' ' ' GLN . . . -88.33 6.37 37.48 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-O 121.294 0.569 . . . . 0.0 110.144 177.165 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . 0.489 HG22 ' CD1' ' B' ' 81' ' ' LEU . 2.6 t -114.95 -50.68 4.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.398 -179.522 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 11.3 p30 -72.08 -1.21 13.96 Favored 'General case' 0 N--CA 1.465 0.283 0 N-CA-C 112.25 0.463 . . . . 0.0 112.25 -175.271 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -104.33 8.55 35.95 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.517 -0.473 . . . . 0.0 110.2 174.689 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . 0.522 ' HB3' HD11 ' A' ' 108' ' ' LEU . 75.7 mt -72.13 -32.35 66.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.589 176.663 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 14.1 p -73.82 3.46 6.58 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.936 179.214 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 35.8 t -85.69 157.78 20.22 Favored 'General case' 0 N--CA 1.45 -0.464 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 175.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -58.97 -22.88 61.09 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.256 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -50.98 -55.68 16.13 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.131 -179.744 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 35' ' ' ALA . . . . . 0.451 ' O ' HG21 ' B' ' 39' ' ' VAL . . . -69.81 -49.16 55.4 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.247 -179.072 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.36 -13.51 13.53 Favored 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 112.248 0.462 . . . . 0.0 112.248 -177.632 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 50.8 m -89.98 -20.31 23.43 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.635 0.255 . . . . 0.0 111.454 175.731 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 61.0 mtm-85 -101.91 -51.95 3.29 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 -177.601 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . 0.451 HG21 ' O ' ' B' ' 35' ' ' ALA . 59.2 t -53.1 -42.8 46.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 114.784 -1.098 . . . . 0.0 111.629 -178.866 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 4.5 m -72.27 -6.98 46.86 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.846 -176.618 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 21.4 t -99.3 -7.16 26.74 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.735 0.779 . . . . 0.0 109.183 176.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -100.14 -24.78 14.49 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.318 -0.856 . . . . 0.0 109.765 -176.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 43' ' ' ILE . . . . . 0.583 HG13 ' N ' ' B' ' 44' ' ' ALA . 6.2 pt -55.73 -40.51 61.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 114.898 -1.046 . . . . 0.0 111.76 -177.881 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . 0.583 ' N ' HG13 ' B' ' 43' ' ' ILE . . . -81.47 -11.0 59.37 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.193 0.521 . . . . 0.0 110.912 -176.069 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -89.86 -49.57 6.54 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.097 -178.603 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 56.2 mt -67.26 -36.11 75.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.556 -179.736 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . 0.416 ' HB2' HD13 ' A' ' 96' ' ' ILE . . . -64.84 -15.05 61.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.496 -178.678 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 25.4 t -108.98 -5.8 15.94 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.174 -177.356 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -126.78 -31.08 0.78 Allowed Glycine 0 CA--C 1.518 0.276 0 C-N-CA 120.274 -0.965 . . . . 0.0 113.444 -176.283 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 80.72 -78.27 1.9 Allowed Glycine 0 N--CA 1.446 -0.677 0 N-CA-C 111.307 -0.717 . . . . 0.0 111.307 -179.343 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -121.24 -19.09 7.19 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-O 121.245 0.545 . . . . 0.0 110.455 179.543 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 4.6 m -70.79 -18.86 62.74 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.87 -176.62 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -90.64 -16.15 29.16 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.971 -176.493 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 54' ' ' LEU . . . . . 0.427 ' N ' ' HD2' ' B' ' 55' ' ' PRO . 55.5 mt -53.75 -58.09 14.68 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.984 -175.052 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 55' ' ' PRO . . . . . 0.427 ' HD2' ' N ' ' B' ' 54' ' ' LEU . 18.7 Cg_endo -60.59 -25.96 81.87 Favored 'Trans proline' 0 C--N 1.351 0.703 0 C-N-CA 122.095 1.863 . . . . 0.0 112.439 -176.903 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 18.6 m -87.1 -34.07 19.25 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.145 0.498 . . . . 0.0 111.107 -177.537 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 73.1 t -82.18 -41.08 17.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.43 -175.701 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 58' ' ' ILE . . . . . 0.5 HG12 HD23 ' B' ' 83' ' ' LEU . 85.4 mt -55.91 -40.5 62.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-O 121.1 0.476 . . . . 0.0 110.303 175.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 8.0 t -64.54 -43.15 94.89 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.245 -178.44 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -63.88 -47.6 80.02 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.596 -0.729 . . . . 0.0 111.482 -179.501 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 44.9 mt -67.27 -47.05 82.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.108 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 62' ' ' TYR . . . . . 0.486 ' O ' HG21 ' B' ' 66' ' ' VAL . 44.5 t80 -55.66 -52.28 64.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.567 -177.522 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 22.6 t -60.17 -33.9 72.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.017 0.437 . . . . 0.0 110.335 179.144 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -67.78 -38.81 89.88 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.971 -0.633 . . . . 0.0 112.14 179.732 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 65' ' ' VAL . . . . . 0.44 ' O ' ' HB3' ' B' ' 68' ' ' SER . 69.2 t -73.72 -41.67 54.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-O 120.958 0.409 . . . . 0.0 111.001 178.63 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 66' ' ' VAL . . . . . 0.486 HG21 ' O ' ' B' ' 62' ' ' TYR . 93.4 t -61.8 -35.79 69.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.99 -178.893 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.28 -12.18 59.44 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.727 177.197 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 68' ' ' SER . . . . . 0.44 ' HB3' ' O ' ' B' ' 65' ' ' VAL . 43.8 t -83.62 -8.98 59.19 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.856 -179.783 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 88.67 30.45 15.46 Favored Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.582 -0.818 . . . . 0.0 112.338 179.272 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . 0.421 HG12 HG13 ' B' ' 65' ' ' VAL . 13.3 p -82.1 161.5 3.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 N-CA-C 109.998 -0.371 . . . . 0.0 109.998 179.099 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 36.4 t -68.29 154.16 42.31 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 175.611 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 5.7 p -57.11 -63.57 1.17 Allowed 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.421 0.526 . . . . 0.0 112.421 -172.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -72.13 -21.93 61.4 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.082 0.468 . . . . 0.0 110.514 -176.739 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 74' ' ' GLU . . . . . 0.424 ' HA ' ' CE1' ' B' ' 23' ' ' TYR . 42.5 tt0 -72.0 -30.19 64.98 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.378 178.878 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.97 -33.59 72.14 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.135 178.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 76' ' ' LEU . . . . . 0.415 ' CD1' HD12 ' B' ' 80' ' ' LEU . 2.0 tm? -58.06 -52.57 64.99 Favored 'General case' 0 C--N 1.332 -0.154 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 179.062 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 77' ' ' ILE . . . . . 0.686 ' O ' ' HG ' ' B' ' 81' ' ' LEU . 37.8 mm -60.94 -55.06 27.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.432 -0.803 . . . . 0.0 110.734 -178.833 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 78' ' ' GLN . . . . . 0.472 ' HB2' ' HB3' ' B' ' 26' ' ' ALA . 37.2 tp60 -54.06 -48.16 70.87 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.447 -179.357 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.05 -38.88 89.45 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.184 -178.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 80' ' ' LEU . . . . . 0.639 ' O ' HD21 ' B' ' 84' ' ' LEU . 5.3 mt -68.87 -42.83 76.49 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.908 -0.317 . . . . 0.0 111.198 179.843 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . 0.686 ' HG ' ' O ' ' B' ' 77' ' ' ILE . 59.5 mt -60.87 -35.03 75.54 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.13 0.49 . . . . 0.0 110.487 -179.619 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -66.96 -41.37 87.02 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.83 173.443 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 83' ' ' LEU . . . . . 0.533 ' O ' ' HG ' ' B' ' 87' ' ' LEU . 49.2 tp -64.35 -42.03 96.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.0 0.429 . . . . 0.0 110.463 178.368 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 84' ' ' LEU . . . . . 0.639 HD21 ' O ' ' B' ' 80' ' ' LEU . 4.3 mm? -63.01 -12.4 25.7 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.46 -179.781 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 85' ' ' SER . . . . . 0.417 ' OG ' HD13 ' A' ' 108' ' ' LEU . 39.2 m -95.15 -34.66 12.18 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.802 0.334 . . . . 0.0 110.678 179.595 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -66.5 -43.55 85.0 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.239 0.542 . . . . 0.0 110.856 -176.264 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 87' ' ' LEU . . . . . 0.533 ' HG ' ' O ' ' B' ' 83' ' ' LEU . 1.2 pp -82.34 -17.45 45.65 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.553 -0.749 . . . . 0.0 112.838 -172.108 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 88' ' ' VAL . . . . . 0.444 ' N ' HD12 ' B' ' 87' ' ' LEU . 16.9 m -91.58 -27.35 4.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 C-N-CA 120.213 -0.595 . . . . 0.0 110.874 177.218 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 89' ' ' HIS . . . . . . . . . . . . . 61.9 t60 -64.71 -37.69 88.45 Favored 'General case' 0 N--CA 1.455 -0.215 0 CA-C-O 120.855 0.36 . . . . 0.0 110.032 178.174 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 90' ' ' VAL . . . . . 0.422 ' HA ' HG11 ' A' ' 99' ' ' VAL . 31.7 m -65.2 -26.19 39.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.418 -175.844 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 91' ' ' LEU . . . . . 0.435 ' HA ' ' HB1' ' B' ' 94' ' ' ALA . 3.4 mm? -65.6 -21.52 66.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.194 -179.616 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 22.3 t -64.86 -25.99 68.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.967 0.413 . . . . 0.0 110.529 -179.658 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 22.6 t -120.86 13.4 11.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.376 0.608 . . . . 0.0 110.05 178.576 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 94' ' ' ALA . . . . . 0.435 ' HB1' ' HA ' ' B' ' 91' ' ' LEU . . . -110.28 92.64 4.13 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.243 178.752 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 21.5 t -75.93 91.46 3.03 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.41 179.244 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 96' ' ' ILE . . . . . . . . . . . . . 20.5 tt -63.98 146.18 13.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.254 -0.885 . . . . 0.0 111.64 -177.258 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 97' ' ' GLY . . . . . . . . . . . . . . . -92.07 -110.4 1.78 Allowed Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 120.925 -0.655 . . . . 0.0 112.296 179.317 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 98' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -115.2 108.55 16.75 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.689 0.28 . . . . 0.0 111.035 -178.408 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 99' ' ' VAL . . . . . . . . . . . . . 2.7 m -104.03 128.62 57.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 120.908 0.385 . . . . 0.0 110.631 174.485 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 100' ' ' SER . . . . . . . . . . . . . 70.9 m -105.99 147.6 28.66 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.523 -179.779 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 36.9 m -76.6 56.5 1.14 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.11 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 9.1 p -146.17 135.97 17.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 116.074 -0.512 . . . . 0.0 109.919 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . 92.46 -1.34 72.37 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 121.05 -0.595 . . . . 0.0 112.128 179.048 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 104' ' ' VAL . . . . . . . . . . . . . 29.1 t -63.46 -31.8 54.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.576 0.227 . . . . 0.0 110.566 179.527 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -49.44 -45.22 46.26 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.332 -179.117 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 54.1 m -70.21 -23.73 62.99 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.606 -178.342 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 13.2 m -72.49 -32.0 65.82 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.201 0.524 . . . . 0.0 109.616 177.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 108' ' ' LEU . . . . . 0.529 ' O ' ' HG3' ' B' ' 112' ' ' GLN . 4.3 mm? -63.87 -27.67 69.32 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.512 175.637 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 109' ' ' ASN . . . . . 0.451 HD21 ' N ' ' B' ' 109' ' ' ASN . 0.9 OUTLIER -72.09 -39.32 69.02 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.321 -178.036 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 110' ' ' VAL . . . . . . . . . . . . . 11.7 p -80.66 -31.57 12.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 C-N-CA 120.901 -0.32 . . . . 0.0 111.373 -174.094 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 111' ' ' VAL . . . . . 0.497 HG13 ' O ' ' B' ' 108' ' ' LEU . 8.5 p -62.47 -31.24 51.21 Favored 'Isoleucine or valine' 0 C--O 1.235 0.293 0 CA-C-O 121.239 0.542 . . . . 0.0 110.258 -179.783 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 112' ' ' GLN . . . . . 0.529 ' HG3' ' O ' ' B' ' 108' ' ' LEU . 27.8 mt-30 -62.8 -30.59 71.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.434 -0.803 . . . . 0.0 111.142 -178.884 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 113' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -80.96 -32.75 34.31 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.383 -175.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 9.0 m -75.16 -40.15 59.8 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.192 -0.913 . . . . 0.0 112.125 -172.594 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 115' ' ' VAL . . . . . . . . . . . . . 8.1 p -116.01 -17.87 7.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-O 121.013 0.435 . . . . 0.0 111.592 -174.66 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 116' ' ' GLY . . . . . . . . . . . . . . . -60.91 -24.73 63.07 Favored Glycine 0 C--O 1.228 -0.253 0 C-N-CA 121.182 -0.533 . . . . 0.0 113.277 -177.635 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.84 9.12 28.7 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.816 0.341 . . . . 0.0 111.057 -179.493 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 118' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -117.31 -27.08 6.52 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.116 0.484 . . . . 0.0 109.93 177.779 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 119' ' ' VAL . . . . . 0.504 ' O ' ' HB3' ' A' ' 22' ' ' SER . 34.6 m -87.05 1.25 6.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.026 172.685 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.019 0 CA-C-N 115.086 -0.961 . . . . 0.0 110.953 177.25 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.81 0 N-CA-C 112.207 -0.357 . . . . 0.0 112.207 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 20.3 m -139.9 160.4 39.99 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 110.007 -0.368 . . . . 0.0 110.007 178.533 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . -86.56 103.77 2.85 Favored Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 120.832 -0.699 . . . . 0.0 111.697 178.276 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' -2' ' ' ASN . . . . . . . . . . . . . 84.1 m-20 -65.05 -66.29 0.56 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.029 0.442 . . . . 0.0 110.736 -176.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 39.1 m -124.84 87.84 2.78 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.064 0.459 . . . . 0.0 110.606 179.46 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 30.7 m -94.06 -168.18 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.113 177.5 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.582 ' OG1' ' HB ' ' B' ' 1' ' ' VAL . 6.2 p -74.57 152.22 39.33 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.929 0.395 . . . . 0.0 111.076 178.664 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.5 m -92.93 85.14 5.06 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.732 -175.404 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -86.47 139.53 16.68 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.87 -0.681 . . . . 0.0 111.796 174.682 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -131.76 -92.5 0.56 Allowed Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.541 -0.838 . . . . 0.0 112.966 -177.346 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.5 ' HA ' ' O ' ' A' ' 9' ' ' GLY . 41.8 p90 -56.31 139.1 49.4 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.051 0.453 . . . . 0.0 110.185 179.808 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.506 ' H ' ' HB ' ' A' ' 10' ' ' THR . . . 109.82 -50.13 0.8 Allowed Glycine 0 N--CA 1.448 -0.559 0 N-CA-C 110.297 -1.121 . . . . 0.0 110.297 -172.88 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 95.4 m-85 -86.03 -28.46 24.13 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 108.685 -0.857 . . . . 0.0 108.685 171.446 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.5 ' O ' ' HA ' ' A' ' 6' ' ' TYR . . . -154.61 116.57 0.74 Allowed Glycine 0 N--CA 1.448 -0.547 0 N-CA-C 109.82 -1.312 . . . . 0.0 109.82 171.75 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.506 ' HB ' ' H ' ' A' ' 7' ' ' GLY . 9.0 t -156.93 -24.21 0.09 Allowed 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 113.319 0.859 . . . . 0.0 113.319 -171.475 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 60.4 m -160.85 -43.34 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.298 0 N-CA-C 112.222 0.453 . . . . 0.0 112.222 -172.4 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -168.64 43.9 0.04 OUTLIER 'General case' 0 C--O 1.232 0.18 0 CA-C-O 120.789 0.328 . . . . 0.0 111.032 -175.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -92.95 -161.84 0.88 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.973 0.416 . . . . 0.0 111.62 -178.078 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -84.2 178.11 7.93 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.916 -178.178 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.423 ' O ' ' HB3' ' A' ' 16' ' ' ALA . . . -154.21 97.26 0.17 Allowed Glycine 0 N--CA 1.447 -0.619 0 C-N-CA 119.761 -1.209 . . . . 0.0 114.173 -176.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.423 ' HB3' ' O ' ' A' ' 15' ' ' GLY . . . 173.94 87.24 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 123.628 0.771 . . . . 0.0 109.086 172.45 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 58.18 47.43 89.39 Favored Glycine 0 CA--C 1.519 0.307 0 C-N-CA 120.531 -0.842 . . . . 0.0 111.745 -171.003 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 2.4 m -90.56 -36.16 8.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 N-CA-C 112.58 0.585 . . . . 0.0 112.58 -174.223 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -136.03 -177.59 4.77 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 120.761 0.315 . . . . 0.0 111.033 -177.576 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -96.06 43.18 1.08 Allowed 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.097 0.475 . . . . 0.0 110.154 178.73 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.691 ' HA3' ' N ' ' B' ' 21' ' ' GLY . . . 160.74 -36.94 0.43 Allowed Glycine 0 N--CA 1.445 -0.726 0 CA-C-N 115.781 -0.645 . . . . 0.0 112.528 -178.766 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.424 ' HB3' ' O ' ' B' ' 119' ' ' VAL . 25.1 m -98.81 128.87 45.15 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-O 120.629 0.252 . . . . 0.0 111.426 179.504 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.419 ' OH ' ' HB3' ' A' ' 73' ' ' ASN . 0.3 OUTLIER -152.03 122.19 7.17 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 174.943 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -76.27 -22.64 54.85 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-O 121.274 0.559 . . . . 0.0 110.649 176.472 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.413 ' N ' ' HA3' ' A' ' 15' ' ' GLY . . . -67.3 -27.45 73.51 Favored Glycine 0 N--CA 1.449 -0.453 0 CA-C-N 115.893 -0.594 . . . . 0.0 112.176 -178.655 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -74.88 -0.17 17.62 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.333 0.587 . . . . 0.0 109.991 177.427 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.497 HG21 ' CD1' ' A' ' 81' ' ' LEU . 3.2 t -109.31 -45.32 6.59 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.645 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.439 178.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 42.3 m-80 -64.05 -34.29 77.69 Favored 'General case' 0 N--CA 1.465 0.285 0 C-N-CA 120.718 -0.393 . . . . 0.0 110.609 -178.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 30.1 ttp180 -63.22 -12.22 26.97 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.74 -179.277 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.532 ' HB3' HD13 ' B' ' 108' ' ' LEU . 85.3 mt -69.64 -26.02 64.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.429 -179.768 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 62.0 p -75.92 -7.02 53.58 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.144 0.497 . . . . 0.0 111.143 -176.567 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 39.1 t -81.88 166.89 19.53 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.017 179.223 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.27 -14.44 49.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.185 179.124 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -55.92 -63.08 1.29 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.869 178.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.444 ' O ' HG21 ' A' ' 39' ' ' VAL . . . -61.28 -51.69 67.84 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.615 -0.721 . . . . 0.0 111.46 -177.757 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.59 -13.32 20.89 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.949 0.404 . . . . 0.0 111.861 -177.289 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 34.3 t -89.8 -19.95 24.08 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.464 -0.334 . . . . 0.0 111.559 175.572 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.581 ' HD2' ' OE1' ' A' ' 82' ' ' GLU . 55.3 mtt180 -104.21 -54.14 2.6 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.551 -0.536 . . . . 0.0 109.551 -177.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.444 HG21 ' O ' ' A' ' 35' ' ' ALA . 61.9 t -51.23 -43.51 28.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 114.834 -1.075 . . . . 0.0 111.704 -178.732 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 2.8 m -72.53 -8.04 53.1 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.58 -175.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 28.4 t -95.0 -12.97 25.71 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.884 0.85 . . . . 0.0 109.17 174.807 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 12.2 m120 -98.96 -26.55 14.22 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.033 -0.985 . . . . 0.0 110.162 -174.31 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.585 HG13 ' N ' ' A' ' 44' ' ' ALA . 8.9 pt -55.38 -41.58 62.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.309 -0.859 . . . . 0.0 111.285 179.272 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.585 ' N ' HG13 ' A' ' 43' ' ' ILE . . . -80.43 -3.18 48.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.058 0.456 . . . . 0.0 110.841 -176.384 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -100.95 -52.43 3.29 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.394 178.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.45 ' HA ' ' CB ' ' A' ' 53' ' ' ALA . 45.1 mt -64.47 -34.09 67.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.712 -178.797 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.78 -17.91 63.54 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.733 -179.345 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 32.7 t -98.88 -29.08 13.15 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.192 -176.562 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -105.78 -27.6 5.66 Favored Glycine 0 CA--C 1.518 0.241 0 C-N-CA 120.4 -0.905 . . . . 0.0 113.155 -176.768 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 75.02 -78.84 1.04 Allowed Glycine 0 N--CA 1.447 -0.622 0 N-CA-C 111.315 -0.714 . . . . 0.0 111.315 -177.7 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -110.59 -29.19 8.14 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-O 121.358 0.599 . . . . 0.0 110.226 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 13.9 m -72.21 -11.71 60.85 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.788 -177.6 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.45 ' CB ' ' HA ' ' A' ' 46' ' ' ILE . . . -94.47 -13.72 25.89 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.776 -178.761 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 49.7 mt -55.64 -57.82 19.04 Favored Pre-proline 0 CA--C 1.534 0.36 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.696 -178.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -66.45 -24.25 49.7 Favored 'Trans proline' 0 C--N 1.352 0.749 0 C-N-CA 121.884 1.723 . . . . 0.0 112.342 -179.301 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.9 m -77.74 -31.29 52.04 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.071 0.462 . . . . 0.0 110.74 -179.659 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 68.9 t -96.73 -43.16 12.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.609 -174.105 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.413 HG12 ' HG ' ' A' ' 83' ' ' LEU . 47.2 mt -56.89 -42.08 77.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.699 0.285 . . . . 0.0 110.862 -179.808 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 70.4 m -70.61 -15.24 62.73 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.051 0.453 . . . . 0.0 111.103 -178.403 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 74.7 m-20 -82.54 -49.36 9.97 Favored 'General case' 0 CA--C 1.516 -0.333 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.528 173.542 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.462 ' O ' HG21 ' A' ' 65' ' ' VAL . 34.2 mt -67.47 -46.79 82.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.907 -178.674 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.517 ' O ' HG21 ' A' ' 66' ' ' VAL . 49.4 t80 -54.9 -56.31 20.96 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.686 -177.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 26.0 t -61.47 -29.8 70.2 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.501 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -65.12 -44.68 93.74 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.871 -0.681 . . . . 0.0 111.638 178.195 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.462 HG21 ' O ' ' A' ' 61' ' ' ILE . 24.4 t -71.76 -40.2 69.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-O 120.911 0.386 . . . . 0.0 110.548 178.865 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.517 HG21 ' O ' ' A' ' 62' ' ' TYR . 89.6 t -63.96 -31.7 54.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.702 178.673 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -68.32 -12.92 61.82 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.433 -0.348 . . . . 0.0 111.301 176.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 21.9 t -81.87 -14.88 55.61 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.034 0.445 . . . . 0.0 109.858 176.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 90.57 36.36 6.95 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.943 -0.646 . . . . 0.0 112.355 179.125 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.417 HG12 HG13 ' A' ' 65' ' ' VAL . 13.9 p -94.05 163.84 2.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 C-N-CA 122.14 0.176 . . . . 0.0 110.736 -179.521 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.406 ' N ' HG23 ' A' ' 70' ' ' VAL . 40.0 t -65.84 146.54 54.62 Favored 'General case' 0 C--O 1.233 0.21 0 N-CA-C 110.205 -0.294 . . . . 0.0 110.205 175.605 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 13.7 m -55.08 -46.94 75.49 Favored 'General case' 0 CA--C 1.534 0.361 0 N-CA-C 112.433 0.531 . . . . 0.0 112.433 -174.57 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.419 ' HB3' ' OH ' ' A' ' 23' ' ' TYR . 0.2 OUTLIER -76.35 -33.76 58.96 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.747 -0.381 . . . . 0.0 110.74 -174.253 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -69.85 -32.62 71.11 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 178.289 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -62.55 -38.84 91.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.671 176.255 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.4 HD23 ' HB3' ' A' ' 118' ' ' TYR . 2.8 tm? -56.45 -53.76 53.63 Favored 'General case' 0 CA--C 1.518 -0.281 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.758 177.729 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.651 ' O ' ' HG ' ' A' ' 81' ' ' LEU . 40.5 mm -61.11 -54.57 33.53 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.013 -178.722 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 33.6 tp60 -52.77 -50.08 64.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.012 179.374 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.64 -40.17 94.98 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.12 -177.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.644 ' O ' HD22 ' A' ' 84' ' ' LEU . 2.3 mm? -63.42 -40.0 96.0 Favored 'General case' 0 C--O 1.22 -0.47 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.977 178.024 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.651 ' HG ' ' O ' ' A' ' 77' ' ' ILE . 25.2 mt -73.32 -33.39 65.11 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 120.816 0.341 . . . . 0.0 111.055 -176.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.581 ' OE1' ' HD2' ' A' ' 38' ' ' ARG . 43.3 mt-10 -68.43 -26.67 65.64 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.493 0.664 . . . . 0.0 110.508 171.115 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.413 ' HG ' HG12 ' A' ' 58' ' ' ILE . 3.4 tm? -76.87 -41.83 42.37 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.649 177.279 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.644 HD22 ' O ' ' A' ' 80' ' ' LEU . 4.0 mm? -70.72 -7.14 42.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.767 -0.651 . . . . 0.0 112.194 -177.648 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.456 ' CB ' HD12 ' B' ' 108' ' ' LEU . 1.0 OUTLIER -99.62 -30.89 11.86 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 120.989 0.423 . . . . 0.0 110.649 -179.932 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.497 ' O ' HG13 ' A' ' 90' ' ' VAL . . . -65.26 -46.78 79.15 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.779 -179.049 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.472 ' O ' HG23 ' A' ' 90' ' ' VAL . 1.2 pp -78.52 -13.79 59.66 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 113.275 0.843 . . . . 0.0 113.275 -172.196 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 15.7 m -94.91 -21.59 5.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 121.926 -0.484 . . . . 0.0 110.676 176.561 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . 0.412 ' CD2' HG22 ' B' ' 104' ' ' VAL . 65.1 t60 -73.8 -29.96 62.47 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 176.388 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.497 HG13 ' O ' ' A' ' 86' ' ' ALA . 15.1 m -65.76 -27.79 42.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 C-N-CA 120.594 -0.442 . . . . 0.0 111.324 -177.197 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.455 ' HA ' ' HB1' ' A' ' 94' ' ' ALA . 3.7 mm? -65.99 -19.71 65.95 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.203 179.738 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 32.9 t -57.33 -30.06 64.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.284 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 8.9 t -131.96 16.24 4.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.445 0.641 . . . . 0.0 110.126 -179.805 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . 0.493 ' HA ' ' HA ' ' B' ' 96' ' ' ILE . . . -101.38 95.56 6.58 Favored 'General case' 0 N--CA 1.446 -0.627 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.018 176.48 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 26.1 t -71.56 95.68 1.44 Allowed 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.903 -0.589 . . . . 0.0 109.764 179.055 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.466 HD11 ' HB1' ' B' ' 47' ' ' ALA . 15.1 tt -70.56 144.33 13.75 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.506 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.146 179.051 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -98.35 -90.69 1.96 Allowed Glycine 0 N--CA 1.448 -0.512 0 C-N-CA 120.921 -0.657 . . . . 0.0 112.673 -177.553 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -139.92 101.3 4.14 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.814 0.34 . . . . 0.0 111.127 -176.748 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.403 HG12 ' HA ' ' B' ' 90' ' ' VAL . 15.4 m -93.53 142.4 13.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.75 178.253 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 15.4 m -111.65 147.52 35.33 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.264 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 2.8 p -78.8 -0.87 32.21 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.937 0.399 . . . . 0.0 111.691 -178.689 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 44.9 t -97.61 114.38 34.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.473 -177.164 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 121.1 -6.41 10.96 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 121.01 -0.614 . . . . 0.0 112.477 179.081 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 42.9 t -61.82 -30.5 48.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 120.461 0.172 . . . . 0.0 110.901 179.58 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -48.72 -41.03 30.58 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.204 179.524 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 40.9 m -73.83 -27.37 61.06 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.849 -177.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 21.9 m -71.65 -30.96 66.31 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.984 0.421 . . . . 0.0 110.326 -178.062 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.539 ' O ' HG13 ' A' ' 111' ' ' VAL . 4.5 mm? -60.48 -29.87 69.34 Favored 'General case' 0 C--O 1.224 -0.249 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.688 176.397 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 16.2 m-80 -73.5 -19.86 60.82 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.336 -179.494 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 28.3 t -89.83 -36.25 8.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 120.938 0.399 . . . . 0.0 110.865 -176.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.539 HG13 ' O ' ' A' ' 108' ' ' LEU . 11.1 p -63.26 -26.99 42.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 121.43 0.633 . . . . 0.0 110.49 -179.785 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . 0.494 ' HG3' ' O ' ' A' ' 108' ' ' LEU . 22.7 mt-30 -69.13 -21.72 64.0 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.972 179.783 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -81.53 -39.72 24.24 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.807 -176.332 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 10.0 p -78.93 -39.32 35.03 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.418 -0.81 . . . . 0.0 112.318 -169.067 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 12.7 p -114.73 -18.97 7.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-O 120.822 0.344 . . . . 0.0 111.812 -173.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -61.45 -26.0 65.82 Favored Glycine 0 N--CA 1.453 -0.179 0 C-N-CA 120.874 -0.679 . . . . 0.0 112.648 -177.318 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.4 9.28 18.54 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.662 0.267 . . . . 0.0 111.43 -178.441 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . 0.4 ' HB3' HD23 ' A' ' 76' ' ' LEU . 75.7 m-85 -120.67 -31.3 4.29 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.746 0.308 . . . . 0.0 111.094 176.631 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 28.9 m -84.99 -1.64 6.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 0.0 112.079 -178.755 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.222 0 C-N-CA 120.449 -0.881 . . . . 0.0 112.481 178.992 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.386 0 N-CA-C 111.735 -0.546 . . . . 0.0 111.735 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' -4' ' ' SER . . . . . . . . . . . . . 23.3 m -140.96 87.58 2.11 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.999 0.428 . . . . 0.0 110.457 -179.781 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' -3' ' ' GLY . . . . . . . . . . . . . . . -108.59 94.23 0.84 Allowed Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 120.829 -0.701 . . . . 0.0 111.982 -179.552 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' -2' ' ' ASN . . . . . . . . . . . . . 29.2 p-10 -102.88 -12.29 17.65 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.946 0.403 . . . . 0.0 110.622 -179.138 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' -1' ' ' SER . . . . . . . . . . . . . 7.2 m -92.51 42.11 1.09 Allowed 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.385 0.612 . . . . 0.0 110.356 -178.732 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 1' ' ' VAL . . . . . 0.582 ' HB ' ' OG1' ' A' ' 2' ' ' THR . 25.6 m -90.3 -171.61 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.392 -175.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 22.7 p -95.45 -173.41 2.89 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.104 -177.844 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 15.9 p -132.63 124.54 28.51 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.753 0.311 . . . . 0.0 111.275 -176.76 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -133.07 -99.05 0.69 Allowed Glycine 0 N--CA 1.449 -0.5 0 C-N-CA 120.841 -0.695 . . . . 0.0 111.927 177.5 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . 170.45 -84.44 0.09 OUTLIER Glycine 0 N--CA 1.447 -0.605 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.128 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 6' ' ' TYR . . . . . . . . . . . . . 52.9 p90 -81.97 134.57 35.39 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.199 0.523 . . . . 0.0 110.648 -178.18 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . 175.19 -82.11 0.07 OUTLIER Glycine 0 N--CA 1.448 -0.509 0 N-CA-C 111.364 -0.695 . . . . 0.0 111.364 179.499 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 8' ' ' TYR . . . . . 0.434 ' HB2' ' O ' ' B' ' 18' ' ' VAL . 94.6 m-85 -79.5 -29.09 41.45 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 173.412 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -135.23 162.69 24.83 Favored Glycine 0 N--CA 1.44 -1.066 0 N-CA-C 110.032 -1.227 . . . . 0.0 110.032 175.422 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 3.1 t -176.11 -39.45 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.936 0.368 . . . . 0.0 110.558 -179.228 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 40.9 m -159.4 -66.98 0.08 Allowed 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 178.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -145.87 106.03 4.04 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.188 178.473 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -153.69 -70.9 0.14 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.405 -178.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -144.86 169.07 18.76 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.131 178.496 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 15' ' ' GLY . . . . . 0.463 ' HA3' ' HB1' ' B' ' 24' ' ' ALA . . . -151.38 82.75 0.17 Allowed Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 120.354 -0.927 . . . . 0.0 113.505 -179.89 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -164.96 88.06 0.45 Allowed 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 174.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 60.24 40.01 96.77 Favored Glycine 0 CA--C 1.52 0.381 0 C-N-CA 120.779 -0.724 . . . . 0.0 111.792 -173.515 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . 0.434 ' O ' ' HB2' ' B' ' 8' ' ' TYR . 3.4 m -83.77 -39.45 14.98 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.164 0 N-CA-C 112.304 0.483 . . . . 0.0 112.304 -174.154 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -134.87 -159.98 1.01 Allowed 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 110.183 -0.303 . . . . 0.0 110.183 -178.801 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -105.74 -36.07 7.17 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.292 0.568 . . . . 0.0 110.172 172.761 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . 0.691 ' N ' ' HA3' ' A' ' 21' ' ' GLY . . . -120.51 28.64 6.16 Favored Glycine 0 N--CA 1.446 -0.638 0 C-N-CA 120.585 -0.817 . . . . 0.0 111.554 -178.874 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 14.6 m -160.06 118.29 2.66 Favored 'General case' 0 N--CA 1.443 -0.815 0 CA-C-O 120.608 0.242 . . . . 0.0 111.432 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 23' ' ' TYR . . . . . 0.57 ' CE1' ' HA ' ' B' ' 74' ' ' GLU . 0.2 OUTLIER -150.89 128.95 11.8 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 171.032 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . 0.463 ' HB1' ' HA3' ' B' ' 15' ' ' GLY . . . -76.82 -32.82 57.86 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 120.799 0.333 . . . . 0.0 111.148 179.7 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.32 -30.48 67.84 Favored Glycine 0 N--CA 1.453 -0.217 0 C-N-CA 121.386 -0.435 . . . . 0.0 112.809 -179.458 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -72.17 -15.32 61.96 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.585 0.707 . . . . 0.0 110.013 179.162 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . 0.458 ' CG1' ' HA ' ' A' ' 112' ' ' GLN . 3.9 t -94.19 -40.01 11.05 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 CA-C-N 115.571 -0.741 . . . . 0.0 110.626 -177.759 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 57.9 m-80 -64.27 -28.47 69.75 Favored 'General case' 0 N--CA 1.465 0.3 0 N-CA-C 111.846 0.313 . . . . 0.0 111.846 -176.8 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 14.2 ptt180 -89.0 14.78 9.79 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.994 0.426 . . . . 0.0 111.145 -175.761 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . 0.46 HD11 ' HB3' ' B' ' 81' ' ' LEU . 96.1 mt -80.07 -26.7 39.52 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.59 177.619 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 56.0 p -71.99 -6.36 41.63 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.369 0.604 . . . . 0.0 110.536 179.793 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 67.9 m -76.96 153.01 35.01 Favored 'General case' 0 N--CA 1.441 -0.919 0 CA-C-N 115.569 -0.741 . . . . 0.0 111.052 179.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.09 -20.43 53.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.28 179.419 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -51.6 -58.29 6.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.446 176.608 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 35' ' ' ALA . . . . . 0.603 ' O ' HG22 ' B' ' 39' ' ' VAL . . . -63.88 -52.19 61.09 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.436 -0.802 . . . . 0.0 111.096 -178.521 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -57.79 -22.26 46.33 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 112.014 0.376 . . . . 0.0 112.014 -175.786 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 24.1 t -86.48 -12.41 49.02 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 111.752 0.278 . . . . 0.0 111.752 179.138 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 38' ' ' ARG . . . . . 0.549 ' HD2' ' OE1' ' B' ' 82' ' ' GLU . 59.9 mtt180 -104.21 -52.61 2.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.592 0.711 . . . . 0.0 109.112 178.689 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . 0.603 HG22 ' O ' ' B' ' 35' ' ' ALA . 39.6 t -55.27 -37.89 45.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 114.139 -1.391 . . . . 0.0 111.814 -176.421 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 40' ' ' SER . . . . . 0.412 ' O ' HG12 ' B' ' 43' ' ' ILE . 63.9 p -71.75 -11.58 60.89 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.917 0.389 . . . . 0.0 111.773 -177.834 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 12.8 t -94.67 -14.71 24.6 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.595 0.712 . . . . 0.0 109.335 178.012 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 11.3 m120 -93.44 -25.58 17.58 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.186 -0.915 . . . . 0.0 109.926 -174.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 43' ' ' ILE . . . . . 0.569 HG13 ' N ' ' B' ' 44' ' ' ALA . 4.9 pt -56.99 -37.34 54.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 114.978 -1.01 . . . . 0.0 111.108 -179.697 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . 0.569 ' N ' HG13 ' B' ' 43' ' ' ILE . . . -82.19 -2.49 52.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.614 -175.759 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -102.13 -51.12 3.46 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.962 0.411 . . . . 0.0 110.636 178.794 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 46' ' ' ILE . . . . . 0.456 ' HA ' ' CB ' ' B' ' 53' ' ' ALA . 38.1 mt -66.27 -32.68 59.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.615 -178.258 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . 0.466 ' HB1' HD11 ' A' ' 96' ' ' ILE . . . -60.22 -26.48 66.44 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.224 179.322 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 73.8 m -98.39 -42.27 7.43 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.923 -176.606 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -87.11 -22.12 46.53 Favored Glycine 0 CA--C 1.518 0.239 0 C-N-CA 120.568 -0.825 . . . . 0.0 113.198 -175.576 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 72.88 -78.2 0.77 Allowed Glycine 0 N--CA 1.448 -0.508 0 N-CA-C 111.968 -0.453 . . . . 0.0 111.968 179.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -117.28 -30.07 5.7 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-O 121.053 0.454 . . . . 0.0 110.592 -178.788 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 39.7 m -73.57 -7.33 51.45 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.315 0.579 . . . . 0.0 110.428 -179.342 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . 0.456 ' CB ' ' HA ' ' B' ' 46' ' ' ILE . . . -84.12 -25.25 29.84 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.381 179.049 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 54' ' ' LEU . . . . . 0.498 ' O ' HG13 ' B' ' 58' ' ' ILE . 52.3 mt -52.44 -58.52 11.42 Favored Pre-proline 0 CA--C 1.535 0.395 0 CA-C-N 115.882 -0.599 . . . . 0.0 112.223 -176.504 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 55' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -66.24 -13.58 40.5 Favored 'Trans proline' 0 C--N 1.352 0.714 0 C-N-CA 121.988 1.792 . . . . 0.0 112.573 -176.766 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 16.1 m -96.02 -18.25 20.36 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.798 -179.129 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . 0.403 HG23 ' O ' ' B' ' 53' ' ' ALA . 68.9 t -104.61 -40.52 6.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.36 -175.463 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 58' ' ' ILE . . . . . 0.498 HG13 ' O ' ' B' ' 54' ' ' LEU . 43.6 mt -56.27 -43.81 77.79 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.227 0 CA-C-O 120.857 0.36 . . . . 0.0 110.822 -179.07 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 22.5 t -67.5 -29.03 68.34 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.681 -177.325 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 63.9 m-20 -69.14 -49.57 55.74 Favored 'General case' 0 CA--C 1.517 -0.313 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.727 178.343 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 33.8 mt -67.59 -43.76 86.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.803 179.37 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 62' ' ' TYR . . . . . 0.488 ' O ' HG21 ' B' ' 66' ' ' VAL . 39.5 t80 -54.4 -56.44 18.65 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.715 -178.679 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 14.1 t -61.46 -30.87 70.87 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.495 -179.111 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -62.5 -44.9 96.93 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 121.199 -0.524 . . . . 0.0 111.991 178.751 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 21.1 t -75.98 -39.76 37.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 120.834 0.35 . . . . 0.0 110.928 -179.345 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 66' ' ' VAL . . . . . 0.488 HG21 ' O ' ' B' ' 62' ' ' TYR . 84.5 t -58.4 -40.43 78.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.923 0.392 . . . . 0.0 110.823 179.509 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -69.64 -11.18 60.64 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.651 179.557 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 15.3 t -84.05 -22.15 31.34 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.729 0.299 . . . . 0.0 110.47 -179.359 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 105.9 31.91 4.01 Favored Glycine 0 C--N 1.33 0.206 0 C-N-CA 120.636 -0.792 . . . . 0.0 112.595 -179.227 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . 0.412 HG11 ' HA ' ' B' ' 66' ' ' VAL . 11.6 p -85.46 160.36 3.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 178.139 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 46.9 t -64.89 142.84 58.3 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 174.04 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 3.7 m -51.39 -51.72 52.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 112.171 -174.436 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -80.14 -23.81 40.89 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.93 0.395 . . . . 0.0 110.555 -174.578 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 74' ' ' GLU . . . . . 0.57 ' HA ' ' CE1' ' B' ' 23' ' ' TYR . 38.4 tt0 -72.79 -27.17 61.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.222 179.034 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.63 -36.68 81.47 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.387 179.527 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -58.9 -48.98 79.51 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.795 0.331 . . . . 0.0 110.266 179.338 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 77' ' ' ILE . . . . . 0.717 ' O ' ' HG ' ' B' ' 81' ' ' LEU . 32.9 mm -63.06 -55.42 23.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.872 -179.397 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 78' ' ' GLN . . . . . . . . . . . . . 28.5 tp60 -53.88 -50.11 67.05 Favored 'General case' 0 C--N 1.33 -0.267 0 O-C-N 123.326 0.391 . . . . 0.0 111.313 179.536 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.28 -36.78 83.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.135 -178.226 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 80' ' ' LEU . . . . . 0.636 ' O ' HD22 ' B' ' 84' ' ' LEU . 6.8 mt -69.75 -42.41 73.93 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.864 -0.334 . . . . 0.0 110.831 177.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . 0.717 ' HG ' ' O ' ' B' ' 77' ' ' ILE . 61.0 mt -57.29 -43.21 82.97 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.19 0.519 . . . . 0.0 110.433 178.647 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 82' ' ' GLU . . . . . 0.549 ' OE1' ' HD2' ' B' ' 38' ' ' ARG . 43.4 mt-10 -65.77 -38.25 88.54 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.717 176.649 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 83' ' ' LEU . . . . . 0.489 HD21 HG12 ' B' ' 58' ' ' ILE . 38.9 tp -64.21 -43.13 95.97 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.184 0.516 . . . . 0.0 110.573 178.587 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 84' ' ' LEU . . . . . 0.636 HD22 ' O ' ' B' ' 80' ' ' LEU . 4.2 mm? -65.78 -8.02 19.15 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.355 -0.839 . . . . 0.0 111.707 -178.211 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 85' ' ' SER . . . . . 0.429 ' OG ' HD11 ' A' ' 108' ' ' LEU . 20.5 m -97.91 -27.36 14.31 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 120.819 0.343 . . . . 0.0 110.871 179.136 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -74.71 -45.31 45.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.406 0.622 . . . . 0.0 110.669 -177.088 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 87' ' ' LEU . . . . . 0.473 HD12 ' N ' ' B' ' 88' ' ' VAL . 1.1 pp -78.15 -18.86 55.04 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.402 -0.817 . . . . 0.0 112.687 -172.634 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 88' ' ' VAL . . . . . 0.473 ' N ' HD12 ' B' ' 87' ' ' LEU . 17.0 m -89.62 -26.63 5.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 C-N-CA 120.383 -0.527 . . . . 0.0 110.73 177.586 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 89' ' ' HIS . . . . . . . . . . . . . 45.6 t60 -67.72 -35.43 78.77 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.051 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 90' ' ' VAL . . . . . 0.403 ' HA ' HG12 ' A' ' 99' ' ' VAL . 27.5 m -66.44 -26.01 36.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.591 -175.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 91' ' ' LEU . . . . . 0.461 ' HA ' ' HB1' ' B' ' 94' ' ' ALA . 3.3 mm? -66.28 -22.57 66.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.673 -0.239 . . . . 0.0 110.934 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 31.2 t -57.7 -31.78 66.72 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.412 179.295 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 10.4 t -123.51 19.84 9.58 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-O 121.593 0.711 . . . . 0.0 109.889 -179.602 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 94' ' ' ALA . . . . . 0.461 ' HB1' ' HA ' ' B' ' 91' ' ' LEU . . . -110.53 94.81 5.19 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.096 176.433 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 22.7 t -76.47 94.02 3.62 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.223 0.535 . . . . 0.0 109.868 -179.199 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 96' ' ' ILE . . . . . 0.493 ' HA ' ' HA ' ' A' ' 94' ' ' ALA . 12.8 tt -72.28 149.86 8.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.124 177.868 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 97' ' ' GLY . . . . . . . . . . . . . . . -84.53 -86.82 0.89 Allowed Glycine 0 N--CA 1.451 -0.339 0 N-CA-C 110.651 -0.979 . . . . 0.0 110.651 172.736 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 98' ' ' ASN . . . . . . . . . . . . . 57.7 t30 -153.3 149.87 28.34 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 108.814 -0.81 . . . . 0.0 108.814 169.766 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 99' ' ' VAL . . . . . 0.495 HG12 ' HA ' ' A' ' 90' ' ' VAL . 3.6 m -127.12 120.45 55.41 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.834 0 CA-C-O 121.168 0.508 . . . . 0.0 110.602 178.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 100' ' ' SER . . . . . . . . . . . . . 48.5 m -84.51 156.22 21.79 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.679 -0.692 . . . . 0.0 110.927 -177.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 16.9 m -77.83 38.39 0.26 Allowed 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.686 -176.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 56.8 t -124.66 120.44 58.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.13 -176.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . 106.84 -9.84 40.6 Favored Glycine 0 N--CA 1.447 -0.575 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.559 178.443 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 104' ' ' VAL . . . . . 0.412 HG22 ' CD2' ' A' ' 89' ' ' HIS . 21.9 t -63.26 -31.99 54.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 120.631 0.253 . . . . 0.0 110.392 179.856 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -48.46 -45.15 36.24 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.54 179.745 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 12.8 m -74.73 -23.74 58.61 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.198 -0.91 . . . . 0.0 111.616 -177.775 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 25.1 m -75.57 -31.89 60.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.024 0.44 . . . . 0.0 109.944 -178.089 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 108' ' ' LEU . . . . . 0.586 ' O ' HG12 ' B' ' 111' ' ' VAL . 3.9 mm? -57.34 -38.06 73.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.516 175.388 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 109' ' ' ASN . . . . . . . . . . . . . 20.0 m-80 -66.29 -24.32 66.53 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.199 -178.727 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 110' ' ' VAL . . . . . . . . . . . . . 29.0 t -81.79 -42.56 19.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.953 0.406 . . . . 0.0 110.587 -178.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 111' ' ' VAL . . . . . 0.586 HG12 ' O ' ' B' ' 108' ' ' LEU . 9.8 p -62.71 -28.37 44.76 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.269 0 CA-C-O 121.296 0.57 . . . . 0.0 110.387 -177.87 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 112' ' ' GLN . . . . . 0.567 ' HG3' ' O ' ' B' ' 108' ' ' LEU . 26.2 mt-30 -66.4 -29.39 69.54 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.991 179.883 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 113' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -73.25 -34.89 66.1 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.479 -175.07 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 5.9 m -82.63 -35.89 26.57 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.412 -0.813 . . . . 0.0 112.184 -170.358 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 115' ' ' VAL . . . . . 0.476 HG11 HD23 ' A' ' 81' ' ' LEU . 12.5 p -108.66 -23.22 4.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 C-N-CA 120.917 -0.313 . . . . 0.0 111.783 -172.138 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 116' ' ' GLY . . . . . . . . . . . . . . . -59.2 -25.56 60.23 Favored Glycine 0 C--N 1.332 0.361 0 C-N-CA 121.383 -0.437 . . . . 0.0 113.163 -175.528 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.16 2.25 44.44 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 112.041 0.385 . . . . 0.0 112.041 -177.784 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 118' ' ' TYR . . . . . . . . . . . . . 71.6 m-85 -117.55 -30.52 5.48 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.721 0.296 . . . . 0.0 110.989 177.23 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 119' ' ' VAL . . . . . 0.424 ' O ' ' HB3' ' A' ' 22' ' ' SER . 29.6 m -85.77 -2.3 7.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.318 179.605 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.255 1.467 0 N-CA-C 109.983 -1.247 . . . . 0.0 109.983 177.029 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 18.8 m . . . . . 0 N--CA 1.445 -0.694 0 CA-C-O 120.893 0.377 . . . . 0.0 110.977 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -147.15 125.78 12.53 Favored 'General case' 0 N--CA 1.447 -0.582 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.787 178.072 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.449 ' HB2' ' HA3' ' B' ' 120' ' ' GLY . . . -86.21 -16.84 36.46 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 111.99 0.367 . . . . 0.0 111.99 -175.881 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.58 -30.6 78.35 Favored Glycine 0 CA--C 1.511 -0.17 0 C-N-CA 120.597 -0.811 . . . . 0.0 111.533 -178.299 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.572 ' HB1' ' HB2' ' A' ' 78' ' ' GLN . . . -67.89 -16.88 64.29 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 114.942 -0.629 . . . . 0.0 110.949 176.44 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.524 HG22 ' CD1' ' A' ' 81' ' ' LEU . 2.9 t -95.44 -41.66 11.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.868 -175.432 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 19.0 m120 -68.25 -20.06 64.77 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.278 -0.569 . . . . 0.0 110.526 -178.345 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 65.9 ttt180 -77.25 -5.62 50.02 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.095 179.68 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.572 HD11 ' HB3' ' A' ' 81' ' ' LEU . 72.9 mt -76.38 -27.71 56.48 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.211 -178.871 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 43.3 p -81.18 9.27 7.13 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.56 0.695 . . . . 0.0 110.207 178.558 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 44.2 t -97.46 152.75 18.66 Favored 'General case' 0 N--CA 1.444 -0.753 0 CA-C-N 115.012 -0.995 . . . . 0.0 109.227 177.527 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.32 -18.35 61.17 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.05 0.452 . . . . 0.0 111.381 -177.195 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.409 ' H ' ' HG3' ' A' ' 34' ' ' GLU . 28.7 mt-10 -54.3 -58.09 8.73 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.663 178.547 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.613 ' O ' HG23 ' A' ' 39' ' ' VAL . . . -59.95 -51.98 67.34 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.478 177.735 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -51.26 -34.03 30.89 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.971 -0.558 . . . . 0.0 111.925 -176.174 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 50.2 m -72.69 -24.62 61.04 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.96 -178.36 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.505 ' HD2' ' OE1' ' A' ' 82' ' ' GLU . 73.3 mtt180 -98.2 -45.12 6.32 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.799 0.809 . . . . 0.0 109.437 -176.483 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.613 HG23 ' O ' ' A' ' 35' ' ' ALA . 42.0 t -61.97 -43.47 97.61 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.851 0 CA-C-N 114.293 -1.321 . . . . 0.0 111.278 -176.477 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.473 ' O ' HG12 ' A' ' 43' ' ' ILE . 96.6 p -75.16 -11.26 60.04 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.012 0.434 . . . . 0.0 111.07 -178.167 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 35.8 t -87.5 -17.64 31.66 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.069 0.461 . . . . 0.0 110.082 -179.727 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 41.8 m-80 -114.43 -1.63 13.43 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.29 -174.14 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.473 HG12 ' O ' ' A' ' 40' ' ' SER . 4.2 pt -57.92 -41.31 79.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.931 176.526 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.467 ' N ' HG13 ' A' ' 43' ' ' ILE . . . -78.01 -11.79 59.93 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.993 -176.939 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -84.47 -53.1 5.66 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.226 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.423 HG21 ' HB3' ' A' ' 87' ' ' LEU . 50.2 mt -64.48 -33.78 65.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.34 179.517 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.784 ' HB1' HD13 ' B' ' 96' ' ' ILE . . . -62.84 -24.65 67.89 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.493 179.642 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 33.1 t -95.08 -42.66 8.49 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.263 -177.446 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -88.91 -22.73 37.8 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.488 -0.863 . . . . 0.0 113.205 -175.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 73.43 -77.14 0.91 Allowed Glycine 0 N--CA 1.449 -0.469 0 N-CA-C 111.522 -0.631 . . . . 0.0 111.522 -178.113 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -119.97 -20.28 7.55 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-O 121.258 0.552 . . . . 0.0 110.065 178.395 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 12.8 m -74.19 -11.23 60.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.767 -178.298 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.407 ' HB3' ' HA ' ' A' ' 46' ' ' ILE . . . -93.44 -15.65 25.38 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.777 -179.795 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.448 ' N ' ' HD2' ' A' ' 55' ' ' PRO . 54.1 mt -55.52 -57.11 22.66 Favored Pre-proline 0 CA--C 1.535 0.376 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.969 -176.768 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.448 ' HD2' ' N ' ' A' ' 54' ' ' LEU . 17.9 Cg_endo -61.42 -20.34 68.02 Favored 'Trans proline' 0 C--N 1.352 0.733 0 C-N-CA 122.253 1.969 . . . . 0.0 112.484 -177.262 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 15.1 m -89.28 -43.94 10.6 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.96 0.41 . . . . 0.0 110.781 179.628 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 76.7 t -76.58 -39.75 32.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.545 -172.792 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.457 HG12 ' HG ' ' A' ' 83' ' ' LEU . 57.3 mt -60.27 -36.54 69.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.098 176.362 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 37.8 t -68.87 -39.6 79.75 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 116.136 -0.484 . . . . 0.0 109.94 179.651 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -60.8 -47.69 85.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.655 178.64 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 63.0 mt -74.54 -45.98 43.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 115.659 -0.7 . . . . 0.0 111.752 -175.824 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.417 ' O ' HG23 ' A' ' 66' ' ' VAL . 61.7 t80 -54.54 -50.74 67.18 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.657 -0.247 . . . . 0.0 111.308 -177.392 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 32.9 t -60.56 -31.38 70.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.941 0.401 . . . . 0.0 110.456 179.69 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -69.04 -38.72 84.45 Favored Glycine 0 N--CA 1.448 -0.544 0 C-N-CA 120.757 -0.735 . . . . 0.0 111.587 -179.471 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.738 HG12 HG11 ' A' ' 70' ' ' VAL . 48.7 t -72.43 -46.0 57.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 120.892 0.377 . . . . 0.0 110.94 179.301 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.417 HG23 ' O ' ' A' ' 62' ' ' TYR . 59.0 t -62.24 -30.72 49.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.898 -178.76 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.01 -19.32 62.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.956 -0.565 . . . . 0.0 112.017 179.284 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 22.9 m -75.79 -21.67 57.15 Favored 'General case' 0 N--CA 1.445 -0.691 0 CA-C-O 120.936 0.398 . . . . 0.0 111.237 178.727 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 93.0 42.34 4.4 Favored Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 120.628 -0.796 . . . . 0.0 111.721 -175.756 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.738 HG11 HG12 ' A' ' 65' ' ' VAL . 9.8 p -100.02 157.9 3.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 179.065 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 42.0 t -57.81 140.59 51.36 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 110.309 -0.256 . . . . 0.0 110.309 176.92 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 4.4 m -53.46 -44.83 69.24 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.964 0.412 . . . . 0.0 111.845 -176.086 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -76.47 -32.93 58.67 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.717 -174.561 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -75.21 -30.28 60.56 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.045 0.45 . . . . 0.0 109.859 177.854 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.635 ' HB2' HG13 ' A' ' 70' ' ' VAL . . . -61.76 -39.7 92.53 Favored 'General case' 0 CA--C 1.519 -0.247 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.61 175.173 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.487 HD23 ' HB3' ' A' ' 118' ' ' TYR . 2.9 tm? -54.24 -49.3 69.79 Favored 'General case' 0 CA--C 1.517 -0.301 0 CA-C-N 115.802 -0.636 . . . . 0.0 109.494 177.094 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.684 ' O ' ' HG ' ' A' ' 81' ' ' LEU . 41.6 mm -62.3 -55.13 25.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 115.51 -0.768 . . . . 0.0 111.227 -177.669 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' GLN . . . . . 0.572 ' HB2' ' HB1' ' A' ' 26' ' ' ALA . 53.5 tt0 -56.22 -50.13 72.14 Favored 'General case' 0 CA--C 1.52 -0.188 0 CA-C-O 120.885 0.374 . . . . 0.0 110.858 -178.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.11 -40.1 88.53 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.58 -0.736 . . . . 0.0 111.124 -178.279 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.683 ' O ' ' HG ' ' A' ' 84' ' ' LEU . 3.3 mm? -65.1 -43.35 92.36 Favored 'General case' 0 C--O 1.221 -0.398 0 CA-C-N 116.635 -0.257 . . . . 0.0 110.594 175.455 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.684 ' HG ' ' O ' ' A' ' 77' ' ' ILE . 45.2 mt -65.72 -40.04 91.79 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.519 0.199 . . . . 0.0 111.329 -178.094 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.505 ' OE1' ' HD2' ' A' ' 38' ' ' ARG . 51.3 mt-10 -61.68 -40.23 94.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.215 0.531 . . . . 0.0 109.751 172.827 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.457 ' HG ' HG12 ' A' ' 58' ' ' ILE . 3.4 tm? -62.31 -43.56 98.53 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.393 177.501 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.683 ' HG ' ' O ' ' A' ' 80' ' ' LEU . 13.3 mt -63.53 -16.16 59.98 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.274 -177.19 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 36.3 m -92.74 -29.62 15.94 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 120.836 0.351 . . . . 0.0 111.234 -173.907 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -69.27 -43.37 74.02 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.322 0.582 . . . . 0.0 110.659 -177.441 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.481 HD12 HG13 ' A' ' 88' ' ' VAL . 1.3 pp -82.39 -16.55 48.67 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.464 -0.789 . . . . 0.0 112.948 -172.107 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.491 HG11 HD11 ' B' ' 54' ' ' LEU . 15.8 m -91.02 -23.61 5.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 C-N-CA 120.094 -0.642 . . . . 0.0 110.485 177.756 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 60.1 t60 -72.53 -35.61 68.1 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.106 178.383 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 33.2 m -65.74 -27.13 40.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.208 -176.346 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.582 ' HA ' ' HB3' ' A' ' 94' ' ' ALA . 3.0 mm? -65.92 -22.84 66.52 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.651 0.262 . . . . 0.0 111.523 -179.498 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 27.0 t -63.98 -30.19 71.28 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.3 0.571 . . . . 0.0 110.354 179.472 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' SER . . . . . 0.532 ' HB2' HG12 ' B' ' 99' ' ' VAL . 23.8 m -106.1 -25.84 11.86 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.079 -179.376 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.582 ' HB3' ' HA ' ' A' ' 91' ' ' LEU . . . -72.47 100.24 2.67 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.45 -0.795 . . . . 0.0 111.149 -179.658 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 5.2 p -71.76 89.29 1.03 Allowed 'General case' 0 N--CA 1.424 -1.751 0 CA-C-N 115.196 -0.911 . . . . 0.0 110.155 176.292 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.772 HD13 ' HB1' ' B' ' 47' ' ' ALA . 19.4 tt -70.42 142.78 15.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-O 120.918 0.389 . . . . 0.0 111.43 -177.51 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -92.21 -104.28 1.5 Allowed Glycine 0 N--CA 1.446 -0.652 0 C-N-CA 120.805 -0.712 . . . . 0.0 111.891 177.878 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -129.3 117.29 20.43 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.944 0.402 . . . . 0.0 110.532 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.551 HG13 HD11 ' A' ' 96' ' ' ILE . 6.2 m -97.32 137.45 24.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.989 178.542 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 12.8 m -93.44 152.82 18.85 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.169 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 14.9 m -86.72 28.58 0.87 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.979 0.419 . . . . 0.0 110.839 -179.58 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 7.2 p -127.86 137.66 56.94 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.484 0 CA-C-O 121.05 0.452 . . . . 0.0 110.256 -176.328 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 98.98 -8.59 61.22 Favored Glycine 0 N--CA 1.449 -0.497 0 CA-C-N 115.756 -0.656 . . . . 0.0 112.253 179.107 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 24.9 t -57.0 -37.26 53.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 175.679 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -51.76 -45.37 63.7 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.159 -0.928 . . . . 0.0 110.476 176.847 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 14.7 m -73.84 -37.56 64.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.439 -0.8 . . . . 0.0 111.118 -177.886 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 24.0 m -60.95 -38.58 86.35 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-O 121.171 0.51 . . . . 0.0 110.176 178.618 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.591 ' O ' ' HG3' ' A' ' 112' ' ' GLN . 3.6 mt -58.45 -33.38 69.67 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.472 -0.785 . . . . 0.0 111.316 177.288 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -67.1 -24.32 65.93 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.913 0.387 . . . . 0.0 110.633 179.754 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 38.2 t -85.51 -39.86 14.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.98 -177.039 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.562 HG12 ' O ' ' A' ' 108' ' ' LEU . 9.0 p -61.6 -29.03 45.26 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.304 0 CA-C-O 121.383 0.611 . . . . 0.0 110.195 -178.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 112' ' ' GLN . . . . . 0.591 ' HG3' ' O ' ' A' ' 108' ' ' LEU . 24.7 mt-30 -66.62 -24.67 66.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.386 -0.824 . . . . 0.0 111.099 -179.511 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -79.27 -37.72 37.19 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.379 -176.048 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 4.3 m -75.8 -45.69 34.7 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.169 -0.923 . . . . 0.0 112.155 -171.827 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.543 HG11 HD22 ' B' ' 81' ' ' LEU . 11.6 p -109.63 -18.44 7.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-O 120.906 0.384 . . . . 0.0 111.68 -172.81 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -60.31 -26.89 64.62 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 121.024 -0.607 . . . . 0.0 112.553 -178.432 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 1.6 pt20 -84.1 -3.49 58.12 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 111.456 0.169 . . . . 0.0 111.456 -179.285 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 118' ' ' TYR . . . . . 0.487 ' HB3' HD23 ' A' ' 76' ' ' LEU . 67.7 m-85 -106.68 -32.4 8.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.951 0.405 . . . . 0.0 110.282 178.161 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 32.8 m . . . . . 0 C--N 1.326 -0.416 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.462 176.655 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 10.6 m . . . . . 0 N--CA 1.444 -0.774 0 N-CA-C 110.171 -0.307 . . . . 0.0 110.171 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 23' ' ' TYR . . . . . 0.557 ' CE1' ' HA ' ' B' ' 74' ' ' GLU . 0.1 OUTLIER -149.7 118.53 6.64 Favored 'General case' 0 N--CA 1.447 -0.599 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.213 -178.092 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -78.32 -16.04 58.13 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.912 179.413 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -66.95 -26.84 73.23 Favored Glycine 0 C--N 1.332 0.309 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.808 179.689 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 26' ' ' ALA . . . . . 0.484 ' HB1' ' HB2' ' B' ' 78' ' ' GLN . . . -79.07 -3.49 45.53 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.057 0.456 . . . . 0.0 110.564 178.427 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 27' ' ' VAL . . . . . 0.499 HG13 HD13 ' B' ' 81' ' ' LEU . 2.7 t -107.89 -48.59 7.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.921 -176.586 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -76.46 4.74 8.49 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 121.1 0.476 . . . . 0.0 110.903 -177.045 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 80.0 ttt180 -93.81 -11.76 30.55 Favored 'General case' 0 N--CA 1.447 -0.58 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.856 175.112 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 30' ' ' LEU . . . . . 0.558 HD11 ' HB3' ' B' ' 81' ' ' LEU . 69.4 mt -71.58 -21.82 61.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.981 -176.416 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 2.9 p -76.99 0.14 22.29 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.142 179.044 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 31.6 t -86.72 157.84 19.55 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.947 178.393 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.59 -21.7 60.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.373 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -51.37 -63.21 1.21 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.802 -0.636 . . . . 0.0 111.085 179.383 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 35' ' ' ALA . . . . . 0.506 ' O ' HG23 ' B' ' 39' ' ' VAL . . . -59.93 -50.61 73.09 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.437 -0.801 . . . . 0.0 111.124 -178.465 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -54.75 -28.17 46.55 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 111.908 0.336 . . . . 0.0 111.908 -176.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 47.7 m -81.98 -20.36 38.67 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.285 -0.416 . . . . 0.0 112.07 -179.409 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 38' ' ' ARG . . . . . 0.434 ' HD2' ' OE1' ' B' ' 82' ' ' GLU . 56.7 mtt180 -98.12 -50.56 4.32 Favored 'General case' 0 CA--C 1.514 -0.427 0 CA-C-O 121.724 0.773 . . . . 0.0 109.093 -179.05 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 39' ' ' VAL . . . . . 0.521 ' O ' HG23 ' B' ' 43' ' ' ILE . 48.6 t -59.08 -33.2 49.64 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 CA-C-N 114.033 -1.44 . . . . 0.0 111.522 -175.916 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 56.3 p -73.0 -13.19 61.18 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.12 0.486 . . . . 0.0 111.189 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 29.8 t -91.31 -14.63 30.47 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.693 0.759 . . . . 0.0 109.214 177.18 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 42' ' ' ASN . . . . . 0.413 ' HB3' HG11 ' B' ' 57' ' ' VAL . 11.8 m120 -97.15 -24.96 15.49 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.079 -0.964 . . . . 0.0 110.257 -174.41 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 43' ' ' ILE . . . . . 0.541 HG13 ' N ' ' B' ' 44' ' ' ALA . 4.6 pt -56.33 -42.66 74.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.432 -0.803 . . . . 0.0 111.743 -176.875 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 44' ' ' ALA . . . . . 0.541 ' N ' HG13 ' B' ' 43' ' ' ILE . . . -77.06 -19.02 57.64 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.079 0.466 . . . . 0.0 110.704 -176.489 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -83.37 -51.3 7.52 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.572 -176.659 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 46' ' ' ILE . . . . . 0.496 HG21 ' HB3' ' B' ' 87' ' ' LEU . 53.0 mt -65.82 -36.06 76.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.185 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 47' ' ' ALA . . . . . 0.772 ' HB1' HD13 ' A' ' 96' ' ' ILE . . . -61.03 -28.82 69.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.247 -179.846 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 44.2 m -94.92 -5.66 44.3 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.884 -0.598 . . . . 0.0 112.042 -174.75 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -128.78 -28.9 0.78 Allowed Glycine 0 CA--C 1.517 0.181 0 C-N-CA 120.253 -0.975 . . . . 0.0 113.404 -176.111 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 80.48 -76.89 2.03 Favored Glycine 0 N--CA 1.447 -0.608 0 N-CA-C 111.127 -0.789 . . . . 0.0 111.127 -178.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -121.74 -17.1 7.52 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 121.17 0.509 . . . . 0.0 110.548 179.46 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 23.1 t -75.18 -11.3 60.05 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.841 -176.473 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -95.06 -16.82 22.38 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.048 -178.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 54' ' ' LEU . . . . . 0.491 HD11 HG11 ' A' ' 88' ' ' VAL . 50.0 mt -53.71 -58.49 12.91 Favored Pre-proline 0 C--N 1.326 -0.437 0 CA-C-N 116.177 -0.465 . . . . 0.0 112.092 -175.747 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 55' ' ' PRO . . . . . 0.437 ' HD2' ' N ' ' B' ' 54' ' ' LEU . 18.4 Cg_endo -60.71 -18.83 57.82 Favored 'Trans proline' 0 C--N 1.353 0.798 0 C-N-CA 122.298 1.999 . . . . 0.0 113.018 -176.267 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 20.1 m -96.46 -34.54 11.46 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.903 0.383 . . . . 0.0 111.208 -178.354 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 57' ' ' VAL . . . . . 0.413 HG11 ' HB3' ' B' ' 42' ' ' ASN . 73.6 t -82.57 -41.22 17.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.459 -176.125 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 58' ' ' ILE . . . . . 0.556 HG12 ' HG ' ' B' ' 83' ' ' LEU . 65.0 mt -56.76 -41.86 76.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.553 177.756 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 17.7 t -66.65 -41.38 88.33 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.337 -178.365 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 63.1 m-20 -58.66 -49.21 78.39 Favored 'General case' 0 CA--C 1.519 -0.238 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.058 178.647 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 61' ' ' ILE . . . . . 0.447 ' O ' HG23 ' B' ' 65' ' ' VAL . 41.9 mt -68.67 -44.52 82.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.182 -179.797 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 62' ' ' TYR . . . . . 0.45 ' O ' HG23 ' B' ' 66' ' ' VAL . 57.3 t80 -56.0 -50.44 70.87 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.141 -177.05 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 11.0 t -63.07 -29.96 71.22 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.965 0.412 . . . . 0.0 110.073 -179.354 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -70.22 -36.63 71.21 Favored Glycine 0 N--CA 1.45 -0.399 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.981 179.307 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 65' ' ' VAL . . . . . 0.728 HG12 HG11 ' B' ' 70' ' ' VAL . 59.9 t -76.89 -43.77 32.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 120.704 0.288 . . . . 0.0 111.024 -179.592 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 66' ' ' VAL . . . . . 0.45 HG23 ' O ' ' B' ' 62' ' ' TYR . 87.8 t -61.7 -35.89 70.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.904 0.383 . . . . 0.0 111.415 -178.342 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -70.46 -2.95 15.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.585 179.11 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 38.7 t -92.01 0.16 57.47 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.127 -179.532 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 85.08 25.55 40.21 Favored Glycine 0 N--CA 1.454 -0.14 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.212 177.597 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 70' ' ' VAL . . . . . 0.728 HG11 HG12 ' B' ' 65' ' ' VAL . 9.1 p -88.1 160.2 2.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 -179.305 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 33.2 t -66.71 141.64 57.69 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 176.318 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 7.8 m -55.45 -46.83 76.74 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.007 0.373 . . . . 0.0 112.007 -174.693 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -76.25 -27.54 56.76 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.949 0.404 . . . . 0.0 110.148 -176.882 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 74' ' ' GLU . . . . . 0.557 ' HA ' ' CE1' ' B' ' 23' ' ' TYR . 40.6 tt0 -74.85 -32.73 61.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.173 179.116 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 75' ' ' ALA . . . . . 0.492 ' HB2' HG13 ' B' ' 70' ' ' VAL . . . -60.09 -36.67 77.92 Favored 'General case' 0 CA--C 1.518 -0.259 0 CA-C-N 115.513 -0.767 . . . . 0.0 111.193 178.047 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 76' ' ' LEU . . . . . 0.516 HD23 ' HB3' ' B' ' 118' ' ' TYR . 3.1 tm? -55.22 -44.04 75.05 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.033 179.078 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 77' ' ' ILE . . . . . 0.668 ' O ' ' HG ' ' B' ' 81' ' ' LEU . 43.5 mm -66.15 -56.31 15.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.835 -178.394 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 78' ' ' GLN . . . . . 0.484 ' HB2' ' HB1' ' B' ' 26' ' ' ALA . 18.4 tt0 -58.03 -46.99 84.42 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-O 120.553 0.216 . . . . 0.0 111.199 -179.497 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.3 -37.19 82.31 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.988 0.423 . . . . 0.0 110.89 -178.589 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 80' ' ' LEU . . . . . 0.498 ' O ' HD23 ' B' ' 84' ' ' LEU . 5.1 mt -73.25 -39.63 65.29 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.105 178.65 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 81' ' ' LEU . . . . . 0.668 ' HG ' ' O ' ' B' ' 77' ' ' ILE . 35.5 mt -65.89 -38.48 88.88 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 120.695 0.283 . . . . 0.0 110.674 -179.494 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 82' ' ' GLU . . . . . 0.434 ' OE1' ' HD2' ' B' ' 38' ' ' ARG . 52.5 mt-10 -64.31 -35.19 80.06 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.298 172.228 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 83' ' ' LEU . . . . . 0.556 ' HG ' HG12 ' B' ' 58' ' ' ILE . 3.5 tm? -67.46 -43.87 80.01 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-O 121.231 0.539 . . . . 0.0 109.84 177.701 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 84' ' ' LEU . . . . . 0.498 HD23 ' O ' ' B' ' 80' ' ' LEU . 3.9 mm? -67.08 -10.39 49.5 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.458 -0.792 . . . . 0.0 112.008 -178.503 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 49.7 m -93.13 -30.49 15.23 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 120.965 0.412 . . . . 0.0 110.502 -177.671 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 86' ' ' ALA . . . . . 0.463 ' HB2' HG13 ' B' ' 39' ' ' VAL . . . -69.75 -43.11 72.93 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.924 -177.087 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 87' ' ' LEU . . . . . 0.496 ' HB3' HG21 ' B' ' 46' ' ' ILE . 1.2 pp -81.67 -18.67 43.73 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 112.999 0.74 . . . . 0.0 112.999 -171.651 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 88' ' ' VAL . . . . . 0.464 HG13 HD12 ' B' ' 87' ' ' LEU . 17.9 m -91.48 -20.52 6.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 C-N-CA 120.05 -0.66 . . . . 0.0 110.417 176.002 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 89' ' ' HIS . . . . . . . . . . . . . 79.5 t60 -69.79 -36.61 75.84 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.087 176.75 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 90' ' ' VAL . . . . . 0.429 HG22 ' O ' ' B' ' 87' ' ' LEU . 29.5 m -66.57 -26.9 38.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.854 -174.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 91' ' ' LEU . . . . . 0.611 ' HA ' ' HB3' ' B' ' 94' ' ' ALA . 3.5 mm? -65.82 -20.51 66.27 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.634 0.254 . . . . 0.0 111.217 -179.31 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 33.8 t -63.29 -29.02 70.42 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.024 0.44 . . . . 0.0 110.454 179.324 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 93' ' ' SER . . . . . 0.472 ' HB2' HG12 ' A' ' 99' ' ' VAL . 18.2 m -121.81 13.55 10.72 Favored 'General case' 0 N--CA 1.448 -0.534 0 CA-C-O 121.345 0.593 . . . . 0.0 110.563 -179.611 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 94' ' ' ALA . . . . . 0.611 ' HB3' ' HA ' ' B' ' 91' ' ' LEU . . . -107.23 99.15 8.71 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.537 179.243 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 11.1 t -74.6 93.58 2.54 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.186 0.517 . . . . 0.0 109.731 178.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 96' ' ' ILE . . . . . 0.784 HD13 ' HB1' ' A' ' 47' ' ' ALA . 21.3 tt -72.26 149.71 8.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.091 178.814 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 97' ' ' GLY . . . . . . . . . . . . . . . -106.61 -88.44 2.03 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.564 -0.826 . . . . 0.0 112.184 179.773 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 98' ' ' ASN . . . . . . . . . . . . . 6.3 t30 -134.95 115.85 14.03 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.668 0.27 . . . . 0.0 110.612 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 99' ' ' VAL . . . . . 0.67 HG13 HD11 ' B' ' 96' ' ' ILE . 6.0 m -95.57 161.73 2.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.643 177.164 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 100' ' ' SER . . . . . . . . . . . . . 33.2 m -117.47 146.05 43.77 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.466 -178.118 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 16.9 m -87.25 7.1 29.97 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.22 0.534 . . . . 0.0 110.591 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 7.5 p -113.21 128.5 69.96 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.615 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.868 -178.64 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . 109.84 -15.15 31.61 Favored Glycine 0 C--N 1.317 -0.487 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.617 -177.598 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 104' ' ' VAL . . . . . 0.417 ' O ' HD12 ' B' ' 108' ' ' LEU . 38.1 t -59.62 -34.79 56.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 120.921 0.391 . . . . 0.0 109.981 175.341 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -54.91 -43.31 73.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.12 -0.945 . . . . 0.0 109.52 177.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 2.1 m -74.95 -38.74 61.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.122 -0.945 . . . . 0.0 111.13 -178.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 44.8 m -58.96 -36.58 75.07 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-O 121.222 0.534 . . . . 0.0 110.488 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 108' ' ' LEU . . . . . 0.527 ' O ' HG12 ' B' ' 111' ' ' VAL . 1.9 mt -61.5 -24.54 66.67 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.354 -0.839 . . . . 0.0 111.985 179.053 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 109' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -72.16 -27.96 62.92 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.957 0.408 . . . . 0.0 110.462 179.423 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 110' ' ' VAL . . . . . . . . . . . . . 22.8 t -83.62 -37.34 13.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.095 -175.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 111' ' ' VAL . . . . . 0.527 HG12 ' O ' ' B' ' 108' ' ' LEU . 10.6 p -60.8 -28.17 42.58 Favored 'Isoleucine or valine' 0 C--O 1.236 0.354 0 CA-C-O 121.371 0.605 . . . . 0.0 110.342 -179.259 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 112' ' ' GLN . . . . . 0.518 ' HG2' HG12 ' A' ' 27' ' ' VAL . 25.3 mt-30 -66.66 -24.99 66.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.394 -0.821 . . . . 0.0 111.022 -179.555 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 113' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -81.68 -35.22 30.12 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.3 0.571 . . . . 0.0 110.562 -175.609 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 6.3 m -74.42 -46.11 42.22 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.485 -0.779 . . . . 0.0 111.533 -172.433 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 115' ' ' VAL . . . . . 0.55 HG11 HD22 ' A' ' 81' ' ' LEU . 13.0 p -109.35 -16.64 8.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-O 121.022 0.439 . . . . 0.0 111.251 -174.621 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 116' ' ' GLY . . . . . 0.419 ' HA3' ' O ' ' B' ' 112' ' ' GLN . . . -64.0 -11.43 44.66 Favored Glycine 0 C--O 1.224 -0.525 0 CA-C-N 115.971 -0.559 . . . . 0.0 113.363 -177.873 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -97.71 1.5 48.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.931 0.366 . . . . 0.0 110.891 178.333 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 118' ' ' TYR . . . . . 0.516 ' HB3' HD23 ' B' ' 76' ' ' LEU . 69.8 m-85 -113.84 -28.92 7.24 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.274 0.559 . . . . 0.0 110.126 177.916 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 119' ' ' VAL . . . . . . . . . . . . . 34.8 m -92.11 -2.89 10.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.079 177.1 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 120' ' ' GLY . . . . . 0.449 ' HA3' ' HB2' ' A' ' 24' ' ' ALA . . . . . . . . 0 C--O 1.25 1.133 0 CA-C-O 118.492 -1.171 . . . . 0.0 112.217 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.507 ' HB3' ' O ' ' B' ' 119' ' ' VAL . 57.9 m . . . . . 0 C--O 1.234 0.241 0 N-CA-C 111.627 0.232 . . . . 0.0 111.627 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -153.94 134.75 13.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.044 177.733 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -93.43 -20.17 20.57 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.779 0.323 . . . . 0.0 111.095 176.428 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.08 -30.98 79.3 Favored Glycine 0 CA--C 1.508 -0.344 0 C-N-CA 121.043 -0.599 . . . . 0.0 112.316 -178.121 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.582 ' HB1' ' HB2' ' A' ' 78' ' ' GLN . . . -66.95 -16.41 64.33 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.182 0.515 . . . . 0.0 110.614 177.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.454 HG22 HD11 ' A' ' 81' ' ' LEU . 3.1 t -95.73 -42.04 12.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.863 -175.16 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 22.4 m120 -66.88 -28.04 68.0 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-O 120.955 0.407 . . . . 0.0 110.981 -176.687 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 78.3 ttt180 -72.67 -12.27 60.96 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.277 -176.917 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.675 HD11 ' HB3' ' A' ' 81' ' ' LEU . 90.6 mt -65.42 -27.23 68.39 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.794 -176.611 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 15.7 p -74.86 -1.95 24.63 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.16 0.505 . . . . 0.0 111.498 -177.099 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 47.7 t -84.32 159.78 20.84 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.222 177.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.27 -16.93 61.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.046 178.86 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -54.13 -61.38 2.34 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.765 178.212 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.544 ' O ' HG23 ' A' ' 39' ' ' VAL . . . -61.2 -53.68 53.8 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.593 179.216 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.56 -36.49 34.84 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.163 -0.471 . . . . 0.0 112.162 -176.005 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 47.4 t -71.96 -26.21 62.18 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-O 120.833 0.349 . . . . 0.0 111.415 -178.34 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 93.9 mtt-85 -91.41 -47.9 7.19 Favored 'General case' 0 CA--C 1.514 -0.44 0 CA-C-O 121.8 0.809 . . . . 0.0 108.872 -177.761 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.544 HG23 ' O ' ' A' ' 35' ' ' ALA . 61.9 t -59.22 -35.6 58.65 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-N 114.022 -1.444 . . . . 0.0 111.256 -178.5 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.505 ' HB2' ' HB3' ' B' ' 101' ' ' SER . 78.0 p -73.17 -8.76 57.2 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.813 0.34 . . . . 0.0 111.892 -179.348 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 32.6 t -96.37 -17.59 20.53 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.623 0.725 . . . . 0.0 109.249 175.837 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ASN . . . . . 0.435 ' OD1' HD11 ' A' ' 61' ' ' ILE . 9.5 m120 -87.09 -27.6 23.03 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.267 -0.879 . . . . 0.0 109.549 -176.092 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.497 HG13 ' N ' ' A' ' 44' ' ' ALA . 3.0 pt -59.19 -33.49 50.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.085 -0.962 . . . . 0.0 111.074 179.763 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.497 ' N ' HG13 ' A' ' 43' ' ' ILE . . . -89.9 6.37 42.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.108 0.48 . . . . 0.0 111.105 -178.686 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -109.45 -52.96 2.71 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.163 0.506 . . . . 0.0 110.061 177.507 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.43 ' HA ' ' HB3' ' A' ' 53' ' ' ALA . 64.8 mt -64.53 -35.1 73.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.096 -177.669 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.698 ' HB1' HD13 ' B' ' 96' ' ' ILE . . . -66.59 -11.33 52.85 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 112.124 0.416 . . . . 0.0 112.124 -177.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 32.7 t -104.38 -7.52 19.85 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.468 -177.369 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -134.3 -36.01 0.25 Allowed Glycine 0 N--CA 1.453 -0.179 0 C-N-CA 120.306 -0.95 . . . . 0.0 113.356 -175.795 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 85.33 -77.24 2.11 Favored Glycine 0 N--CA 1.444 -0.795 0 N-CA-C 111.165 -0.774 . . . . 0.0 111.165 -177.35 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -112.75 -22.9 10.46 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 121.089 0.471 . . . . 0.0 110.911 -177.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 8.9 p -74.1 -17.53 60.93 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.169 -177.154 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.43 ' HB3' ' HA ' ' A' ' 46' ' ' ILE . . . -88.73 -16.25 32.7 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.659 -178.761 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.428 ' N ' ' HD2' ' A' ' 55' ' ' PRO . 50.8 mt -54.52 -56.4 27.28 Favored Pre-proline 0 CA--C 1.534 0.347 0 CA-C-N 115.877 -0.602 . . . . 0.0 112.025 -176.169 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.428 ' HD2' ' N ' ' A' ' 54' ' ' LEU . 18.5 Cg_endo -62.7 -28.74 76.77 Favored 'Trans proline' 0 C--N 1.352 0.73 0 C-N-CA 121.899 1.733 . . . . 0.0 112.037 -178.028 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 14.5 m -79.01 -34.06 44.37 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.154 0.502 . . . . 0.0 111.002 -178.087 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.412 HG23 ' O ' ' A' ' 53' ' ' ALA . 76.5 t -86.57 -40.66 14.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.894 -173.631 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.517 HG12 HD22 ' A' ' 83' ' ' LEU . 76.5 mt -56.98 -44.13 82.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.344 176.933 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 11.8 t -64.43 -35.24 80.27 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.252 -176.906 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -68.38 -47.19 68.0 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.999 179.752 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.435 HD11 ' OD1' ' A' ' 42' ' ' ASN . 47.5 mt -70.11 -45.02 77.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.346 -179.349 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.512 ' O ' HG23 ' A' ' 66' ' ' VAL . 42.2 t80 -53.87 -53.49 51.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.087 -176.494 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 21.0 t -63.29 -29.43 70.75 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.923 0.392 . . . . 0.0 110.56 -179.048 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -66.64 -43.82 91.16 Favored Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.847 -0.692 . . . . 0.0 111.864 178.807 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.656 HG12 HG11 ' A' ' 70' ' ' VAL . 29.9 t -71.99 -43.54 67.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-O 120.722 0.296 . . . . 0.0 111.047 -179.71 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.512 HG23 ' O ' ' A' ' 62' ' ' TYR . 94.7 t -57.63 -38.27 63.46 Favored 'Isoleucine or valine' 0 C--O 1.234 0.245 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.299 -178.129 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -66.56 -10.54 46.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.017 -0.538 . . . . 0.0 112.192 -178.406 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 29.2 t -87.54 -9.37 54.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.793 0.33 . . . . 0.0 110.997 -179.635 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 89.56 33.42 9.27 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.522 -0.847 . . . . 0.0 112.085 -179.301 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.656 HG11 HG12 ' A' ' 65' ' ' VAL . 13.5 p -80.99 157.91 4.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 177.695 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 2.0 m -65.42 156.26 32.89 Favored 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 110.433 -0.21 . . . . 0.0 110.433 178.527 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.7 m -54.05 -65.59 0.54 Allowed 'General case' 0 CA--C 1.534 0.329 0 N-CA-C 112.806 0.669 . . . . 0.0 112.806 -172.381 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -73.75 -22.48 59.85 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.321 0.581 . . . . 0.0 109.983 -176.42 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -67.97 -31.93 71.99 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.55 -0.75 . . . . 0.0 109.971 178.661 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.462 ' HB2' HG13 ' A' ' 70' ' ' VAL . . . -61.94 -43.29 99.16 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.837 176.128 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.515 HD23 ' HB3' ' A' ' 118' ' ' TYR . 2.8 tm? -56.76 -50.37 72.49 Favored 'General case' 0 CA--C 1.516 -0.355 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.627 176.681 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.745 ' O ' ' HG ' ' A' ' 81' ' ' LEU . 33.7 mm -59.0 -56.51 16.48 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 115.247 -0.888 . . . . 0.0 111.351 -177.052 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' GLN . . . . . 0.582 ' HB2' ' HB1' ' A' ' 26' ' ' ALA . 44.2 tt0 -59.09 -46.5 88.13 Favored 'General case' 0 N--CA 1.464 0.265 0 C-N-CA 120.878 -0.329 . . . . 0.0 111.288 -178.713 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -58.57 -38.57 78.16 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.837 -179.156 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.615 ' O ' HD23 ' A' ' 84' ' ' LEU . 3.2 mm? -68.12 -42.26 80.48 Favored 'General case' 0 N--CA 1.448 -0.557 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.656 175.386 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.745 ' HG ' ' O ' ' A' ' 77' ' ' ILE . 77.6 mt -60.43 -45.12 94.78 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.734 0.302 . . . . 0.0 111.309 -179.436 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -62.73 -42.7 99.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.895 0.379 . . . . 0.0 110.382 177.758 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.517 HD22 HG12 ' A' ' 58' ' ' ILE . 41.5 tp -58.82 -44.03 90.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.073 0.463 . . . . 0.0 110.921 176.339 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.615 HD23 ' O ' ' A' ' 80' ' ' LEU . 3.5 mm? -66.39 -5.58 11.35 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.617 -0.72 . . . . 0.0 111.871 -177.648 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.41 ' OG ' HD13 ' B' ' 108' ' ' LEU . 20.0 m -98.37 -30.15 12.74 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.895 0.379 . . . . 0.0 110.553 178.096 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.462 ' HB2' HG13 ' A' ' 39' ' ' VAL . . . -71.75 -48.0 49.85 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.335 0.588 . . . . 0.0 110.762 -176.358 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.48 HD12 ' N ' ' A' ' 88' ' ' VAL . 1.1 pp -74.2 -20.7 60.11 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.405 -0.816 . . . . 0.0 112.753 -172.163 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.509 HG11 HD11 ' B' ' 54' ' ' LEU . 16.4 m -89.86 -22.43 6.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 C-N-CA 120.297 -0.561 . . . . 0.0 110.543 177.215 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 54.7 t60 -70.47 -34.52 72.5 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.266 179.258 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.431 HG22 ' O ' ' A' ' 87' ' ' LEU . 20.3 m -66.18 -27.22 40.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.262 -176.127 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.669 ' HA ' ' HB3' ' A' ' 94' ' ' ALA . 4.1 mm? -62.97 -24.63 67.98 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.971 0.415 . . . . 0.0 110.999 178.787 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 60.2 m -56.9 -34.94 68.41 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.02 179.169 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' SER . . . . . 0.656 ' HB2' HG12 ' B' ' 99' ' ' VAL . 19.4 m -108.01 -19.28 13.56 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.629 0.728 . . . . 0.0 110.324 -178.878 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.669 ' HB3' ' HA ' ' A' ' 91' ' ' LEU . . . -76.72 96.33 4.2 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.102 -0.954 . . . . 0.0 111.61 -179.233 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 26.4 t -75.26 89.21 2.55 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.21 -0.663 . . . . 0.0 109.21 174.163 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.734 HD13 ' HB1' ' B' ' 47' ' ' ALA . 20.0 tt -68.55 145.4 13.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.453 -177.458 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -92.73 -109.29 1.84 Allowed Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.889 -0.672 . . . . 0.0 112.157 179.152 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -122.83 117.13 24.92 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.708 0.29 . . . . 0.0 110.286 -179.273 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.569 ' CG1' HD11 ' A' ' 96' ' ' ILE . 5.7 m -97.61 155.47 3.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 120.86 0.362 . . . . 0.0 110.946 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 40.0 m -116.63 148.85 40.59 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.474 -178.371 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 2.5 p -84.91 0.43 51.19 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.317 0.58 . . . . 0.0 111.077 179.289 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 45.9 t -94.01 111.76 25.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.06 -174.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 107.82 1.43 34.34 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.837 -0.697 . . . . 0.0 112.828 176.305 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 47.4 t -57.15 -33.0 41.94 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.106 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 174.721 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -49.37 -42.67 42.82 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.303 -0.862 . . . . 0.0 111.572 177.793 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 25.0 m -72.88 -24.98 60.92 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.02 -177.84 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 22.3 m -72.12 -35.66 69.2 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 177.631 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.584 ' O ' ' HG3' ' A' ' 112' ' ' GLN . 4.5 mm? -57.93 -31.34 66.73 Favored 'General case' 0 C--O 1.221 -0.437 0 CA-C-N 115.321 -0.854 . . . . 0.0 110.308 174.779 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -73.36 -26.61 61.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.813 0.339 . . . . 0.0 110.78 -179.086 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 41.4 t -82.63 -37.45 14.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.828 -176.478 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.542 HG12 ' O ' ' A' ' 108' ' ' LEU . 8.5 p -62.93 -25.2 37.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 121.436 0.636 . . . . 0.0 110.511 -179.583 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 112' ' ' GLN . . . . . 0.584 ' HG3' ' O ' ' A' ' 108' ' ' LEU . 21.8 mt-30 -70.48 -21.16 62.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.977 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -82.8 -34.82 26.89 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.683 -174.63 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 13.4 p -80.44 -47.24 14.64 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.45 -0.796 . . . . 0.0 112.007 -172.119 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.641 HG11 HD22 ' B' ' 81' ' ' LEU . 12.7 p -107.76 -16.05 8.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-O 120.922 0.392 . . . . 0.0 111.507 -171.839 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -61.45 -22.53 61.44 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.854 -0.689 . . . . 0.0 112.663 -178.551 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -92.3 6.84 45.33 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.717 0.294 . . . . 0.0 111.337 -179.165 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 118' ' ' TYR . . . . . 0.515 ' HB3' HD23 ' A' ' 76' ' ' LEU . 70.2 m-85 -116.08 -32.59 5.32 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-O 120.8 0.333 . . . . 0.0 110.297 175.765 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.404 ' O ' ' HB3' ' B' ' 22' ' ' SER . 35.1 m . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.732 176.331 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 22' ' ' SER . . . . . 0.404 ' HB3' ' O ' ' A' ' 119' ' ' VAL . 34.6 m . . . . . 0 N--CA 1.448 -0.559 0 CA-C-O 120.675 0.274 . . . . 0.0 111.24 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -153.33 129.18 10.19 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 108.503 -0.925 . . . . 0.0 108.503 177.107 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -80.56 -27.03 37.64 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 120.751 0.31 . . . . 0.0 111.485 -178.065 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.15 -28.34 73.43 Favored Glycine 0 CA--C 1.512 -0.136 0 C-N-CA 121.105 -0.569 . . . . 0.0 112.561 -179.4 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 26' ' ' ALA . . . . . 0.424 ' HB1' ' HB2' ' B' ' 78' ' ' GLN . . . -68.77 -17.94 64.12 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.598 0.714 . . . . 0.0 109.749 177.7 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 27' ' ' VAL . . . . . 0.538 HG12 ' HG2' ' A' ' 112' ' ' GLN . 2.5 t -92.68 -38.05 9.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-N 114.859 -1.064 . . . . 0.0 109.693 177.833 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 76.2 m-20 -75.18 -15.58 60.56 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.097 -174.236 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 77.7 ttt180 -82.34 -11.31 58.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.321 0.582 . . . . 0.0 110.222 178.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 30' ' ' LEU . . . . . 0.562 ' HB3' HD12 ' A' ' 108' ' ' LEU . 97.6 mt -66.66 -26.39 67.03 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.63 -176.383 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 5.2 p -77.14 -0.4 24.77 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.548 -178.238 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 8.5 t -82.58 161.85 22.13 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.816 -0.439 . . . . 0.0 109.816 179.356 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.11 -15.68 63.3 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.811 0.339 . . . . 0.0 110.798 178.601 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -57.89 -66.37 0.49 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.714 179.151 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 35' ' ' ALA . . . . . 0.501 ' O ' HG23 ' B' ' 39' ' ' VAL . . . -55.9 -50.7 69.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.071 179.745 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -56.88 -20.57 23.82 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.332 0.493 . . . . 0.0 112.332 -177.385 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 44.7 t -85.95 -27.45 24.9 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.779 0.323 . . . . 0.0 111.325 178.768 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 38' ' ' ARG . . . . . 0.603 ' NH1' ' HA ' ' B' ' 61' ' ' ILE . 13.4 mtp180 -95.61 -45.1 7.19 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 -176.191 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 39' ' ' VAL . . . . . 0.503 HG13 ' HB2' ' B' ' 86' ' ' ALA . 59.6 t -59.36 -34.87 55.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 114.875 -1.057 . . . . 0.0 110.989 179.752 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 33.1 p -72.75 -11.77 60.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.372 179.167 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 47.0 t -91.62 -17.03 26.16 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.701 0.763 . . . . 0.0 109.445 176.194 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 42' ' ' ASN . . . . . 0.427 ' OD1' HD11 ' B' ' 61' ' ' ILE . 10.6 m120 -92.93 -26.51 17.56 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.174 -0.921 . . . . 0.0 110.058 -174.598 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 43' ' ' ILE . . . . . 0.534 HG13 ' N ' ' B' ' 44' ' ' ALA . 3.9 pt -56.41 -40.42 67.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.478 -0.783 . . . . 0.0 111.604 -177.736 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 44' ' ' ALA . . . . . 0.534 ' N ' HG13 ' B' ' 43' ' ' ILE . . . -79.39 -12.49 59.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.982 0.42 . . . . 0.0 111.159 -176.217 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -90.38 -51.27 5.51 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.234 0.54 . . . . 0.0 110.495 -178.047 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 46' ' ' ILE . . . . . 0.467 HG21 ' HB3' ' B' ' 87' ' ' LEU . 47.7 mt -68.22 -32.49 56.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.725 -178.215 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 47' ' ' ALA . . . . . 0.734 ' HB1' HD13 ' A' ' 96' ' ' ILE . . . -64.43 -19.69 65.69 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.303 179.58 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 33.7 t -100.45 -47.21 4.97 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.825 -178.095 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -84.22 -24.77 46.57 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.814 -0.708 . . . . 0.0 113.3 -176.451 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 75.83 -74.85 1.54 Allowed Glycine 0 N--CA 1.45 -0.378 0 N-CA-C 111.554 -0.618 . . . . 0.0 111.554 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -122.23 -23.05 5.4 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.09 0.471 . . . . 0.0 110.426 179.16 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 15.2 m -72.52 -10.34 59.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.947 -178.103 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -91.81 -17.01 25.97 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.649 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 54' ' ' LEU . . . . . 0.509 HD11 HG11 ' A' ' 88' ' ' VAL . 50.8 mt -55.67 -58.51 15.31 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 115.904 -0.589 . . . . 0.0 112.282 -176.152 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 55' ' ' PRO . . . . . 0.423 ' HD2' ' N ' ' B' ' 54' ' ' LEU . 18.2 Cg_endo -60.72 -21.57 70.13 Favored 'Trans proline' 0 C--N 1.353 0.767 0 C-N-CA 122.242 1.961 . . . . 0.0 112.436 -176.489 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 14.8 m -89.04 -44.58 10.27 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.049 0.452 . . . . 0.0 110.905 -179.796 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 78.8 t -74.89 -37.45 41.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.406 -173.55 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 58' ' ' ILE . . . . . 0.577 HG12 HD22 ' B' ' 83' ' ' LEU . 46.7 mt -57.09 -44.1 82.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.241 175.783 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 5.1 t -68.92 -38.58 79.64 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.988 -177.13 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -60.83 -48.68 80.72 Favored 'General case' 0 CA--C 1.52 -0.21 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.703 178.78 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 61' ' ' ILE . . . . . 0.603 ' HA ' ' NH1' ' B' ' 38' ' ' ARG . 41.4 mt -69.24 -45.37 79.47 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.957 179.107 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 62' ' ' TYR . . . . . 0.491 ' O ' HG23 ' B' ' 66' ' ' VAL . 48.5 t80 -55.41 -55.64 29.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.081 -177.709 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 33.6 t -60.68 -31.66 70.91 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-O 121.093 0.473 . . . . 0.0 110.312 -179.484 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 64' ' ' GLY . . . . . 0.48 ' HA3' ' NH1' ' B' ' 38' ' ' ARG . . . -65.75 -45.14 90.45 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.839 -0.696 . . . . 0.0 111.936 178.283 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 65' ' ' VAL . . . . . 0.707 HG12 HG11 ' B' ' 70' ' ' VAL . 41.4 t -70.81 -44.14 76.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.76 0.314 . . . . 0.0 110.836 -179.303 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 66' ' ' VAL . . . . . 0.491 HG23 ' O ' ' B' ' 62' ' ' TYR . 93.0 t -57.22 -37.05 54.14 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.328 0 CA-C-O 120.901 0.381 . . . . 0.0 110.961 -179.761 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.07 -7.24 11.25 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 115.941 -0.572 . . . . 0.0 112.238 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 44.6 t -93.17 -2.55 55.17 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.555 0.217 . . . . 0.0 111.513 -178.635 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 83.82 26.99 39.58 Favored Glycine 0 N--CA 1.453 -0.174 0 C-N-CA 120.415 -0.898 . . . . 0.0 111.902 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 70' ' ' VAL . . . . . 0.707 HG11 HG12 ' B' ' 65' ' ' VAL . 13.8 p -78.58 158.74 4.8 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-N 115.372 -0.414 . . . . 0.0 109.905 179.139 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 1.5 m -68.04 152.55 45.34 Favored 'General case' 0 N--CA 1.448 -0.526 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 178.174 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 24.9 m -49.54 -68.07 0.21 Allowed 'General case' 0 N--CA 1.468 0.469 0 N-CA-C 113.649 0.981 . . . . 0.0 113.649 -171.287 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 47.9 t30 -81.37 -11.69 59.21 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.118 -0.633 . . . . 0.0 110.495 -175.394 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -69.02 -33.42 73.6 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.733 -0.84 . . . . 0.0 108.733 173.023 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 75' ' ' ALA . . . . . 0.491 ' HB2' HG13 ' B' ' 70' ' ' VAL . . . -62.54 -42.12 99.32 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 114.851 -1.068 . . . . 0.0 110.237 173.886 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 76' ' ' LEU . . . . . 0.533 HD23 ' HB3' ' B' ' 118' ' ' TYR . 2.8 tm? -53.93 -54.67 35.55 Favored 'General case' 0 CA--C 1.518 -0.277 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.567 177.656 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 77' ' ' ILE . . . . . 0.701 ' O ' ' HG ' ' B' ' 81' ' ' LEU . 37.2 mm -59.33 -55.71 21.86 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 115.336 -0.847 . . . . 0.0 111.563 -177.292 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 78' ' ' GLN . . . . . 0.424 ' HB2' ' HB1' ' B' ' 26' ' ' ALA . 48.6 tt0 -57.89 -48.78 78.84 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 120.826 -0.35 . . . . 0.0 110.931 -178.22 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.2 -38.89 84.67 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.809 -178.859 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 80' ' ' LEU . . . . . 0.613 ' O ' HD23 ' B' ' 84' ' ' LEU . 2.8 mm? -65.41 -41.75 93.3 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.769 175.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 81' ' ' LEU . . . . . 0.701 ' HG ' ' O ' ' B' ' 77' ' ' ILE . 37.6 mt -68.73 -39.21 80.5 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.601 0.238 . . . . 0.0 111.15 -177.797 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -59.55 -45.6 91.32 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 173.12 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 83' ' ' LEU . . . . . 0.577 HD22 HG12 ' B' ' 58' ' ' ILE . 35.2 tp -58.17 -46.58 85.48 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.398 176.374 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 84' ' ' LEU . . . . . 0.613 HD23 ' O ' ' B' ' 80' ' ' LEU . 3.6 mm? -65.85 -3.73 5.57 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.979 -176.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 85' ' ' SER . . . . . 0.443 ' OG ' HD13 ' A' ' 108' ' ' LEU . 22.8 m -101.73 -27.27 13.14 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.903 0.382 . . . . 0.0 110.57 177.744 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 86' ' ' ALA . . . . . 0.503 ' HB2' HG13 ' B' ' 39' ' ' VAL . . . -72.16 -45.86 58.74 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-O 121.501 0.667 . . . . 0.0 110.587 -177.221 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 87' ' ' LEU . . . . . 0.509 HD12 HG13 ' B' ' 88' ' ' VAL . 1.0 OUTLIER -80.16 -14.02 58.79 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.152 -0.931 . . . . 0.0 112.663 -172.043 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 88' ' ' VAL . . . . . 0.509 HG13 HD12 ' B' ' 87' ' ' LEU . 20.6 m -96.26 -23.57 4.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 C-N-CA 120.459 -0.496 . . . . 0.0 110.882 177.128 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 89' ' ' HIS . . . . . . . . . . . . . 50.6 t60 -68.54 -35.38 77.36 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.86 -0.422 . . . . 0.0 109.86 177.571 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 90' ' ' VAL . . . . . . . . . . . . . 32.9 m -64.6 -26.16 39.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.436 -176.038 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 91' ' ' LEU . . . . . 0.622 ' HA ' ' HB3' ' B' ' 94' ' ' ALA . 3.5 mm? -65.84 -22.85 66.57 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.565 -0.289 . . . . 0.0 111.182 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 33.1 t -61.94 -28.05 69.26 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-O 121.085 0.469 . . . . 0.0 110.666 179.184 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 93' ' ' SER . . . . . 0.516 ' HB2' HG12 ' A' ' 99' ' ' VAL . 25.7 m -121.87 13.48 10.66 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-O 121.246 0.546 . . . . 0.0 110.557 -179.811 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 94' ' ' ALA . . . . . 0.622 ' HB3' ' HA ' ' B' ' 91' ' ' LEU . . . -107.73 97.53 7.24 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-N 115.784 -0.643 . . . . 0.0 110.423 179.209 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 22.8 t -73.46 90.05 1.69 Allowed 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 178.302 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 96' ' ' ILE . . . . . 0.698 HD13 ' HB1' ' A' ' 47' ' ' ALA . 20.9 tt -74.1 141.94 15.46 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.679 179.644 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 97' ' ' GLY . . . . . . . . . . . . . . . -88.85 -116.02 1.4 Allowed Glycine 0 N--CA 1.447 -0.569 0 C-N-CA 120.589 -0.815 . . . . 0.0 112.082 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 98' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -119.92 98.54 6.14 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 120.991 0.424 . . . . 0.0 109.894 -178.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 99' ' ' VAL . . . . . 0.656 HG12 ' HB2' ' A' ' 93' ' ' SER . 13.7 m -76.2 164.43 3.55 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.487 177.442 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 100' ' ' SER . . . . . 0.408 ' C ' ' H ' ' B' ' 102' ' ' VAL . 28.7 m -138.39 149.48 45.58 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.177 -178.567 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 101' ' ' SER . . . . . 0.505 ' HB3' ' HB2' ' A' ' 40' ' ' SER . 41.0 m -76.25 29.12 0.12 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.371 -177.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 102' ' ' VAL . . . . . 0.408 ' H ' ' C ' ' B' ' 100' ' ' SER . 60.3 t -108.28 108.98 26.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.75 -175.852 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . 107.49 -0.89 34.61 Favored Glycine 0 N--CA 1.446 -0.695 0 C-N-CA 120.55 -0.833 . . . . 0.0 112.852 176.022 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 104' ' ' VAL . . . . . 0.401 ' O ' HD23 ' B' ' 108' ' ' LEU . 21.5 t -60.21 -36.64 69.56 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.231 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 178.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -50.77 -38.44 48.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.446 -0.797 . . . . 0.0 111.074 179.655 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 14.6 m -75.0 -29.98 61.02 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.034 -178.83 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 13.1 m -67.42 -34.78 77.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.187 0.518 . . . . 0.0 109.889 -179.452 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 108' ' ' LEU . . . . . 0.553 HD12 ' HB3' ' A' ' 30' ' ' LEU . 4.6 mm? -58.82 -28.14 65.75 Favored 'General case' 0 C--O 1.223 -0.341 0 CA-C-N 115.301 -0.863 . . . . 0.0 110.944 176.659 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 109' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -74.66 -24.53 58.83 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.031 0.443 . . . . 0.0 110.448 -178.069 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 110' ' ' VAL . . . . . . . . . . . . . 40.5 t -84.81 -40.78 15.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.987 -176.307 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 111' ' ' VAL . . . . . 0.478 HG12 ' O ' ' B' ' 108' ' ' LEU . 10.8 p -59.8 -28.11 39.84 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.367 0 CA-C-O 121.35 0.595 . . . . 0.0 110.932 -178.029 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 112' ' ' GLN . . . . . 0.446 ' HG3' ' O ' ' B' ' 108' ' ' LEU . 26.0 mt-30 -69.99 -23.97 63.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.056 -178.226 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 113' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -87.35 -25.58 23.8 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.738 -170.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 114' ' ' SER . . . . . 0.478 ' HB2' HD12 ' B' ' 58' ' ' ILE . 13.5 p -87.98 -43.56 11.66 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.857 -0.611 . . . . 0.0 112.186 -173.784 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 115' ' ' VAL . . . . . . . . . . . . . 13.1 p -108.63 -17.8 7.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-O 120.84 0.352 . . . . 0.0 111.385 -174.261 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 116' ' ' GLY . . . . . . . . . . . . . . . -61.8 -19.46 58.56 Favored Glycine 0 C--O 1.228 -0.276 0 C-N-CA 120.903 -0.665 . . . . 0.0 112.75 -178.576 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -97.53 12.13 34.49 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.747 0.308 . . . . 0.0 111.057 179.859 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 118' ' ' TYR . . . . . 0.533 ' HB3' HD23 ' B' ' 76' ' ' LEU . 64.4 m-85 -121.64 -26.66 4.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.97 0.414 . . . . 0.0 110.489 176.004 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 119' ' ' VAL . . . . . 0.507 ' O ' ' HB3' ' A' ' 22' ' ' SER . 29.8 m -84.34 -2.49 7.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.863 174.591 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.017 0 CA-C-O 118.123 -1.376 . . . . 0.0 110.52 177.1 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.451 ' HB3' ' O ' ' B' ' 119' ' ' VAL . 27.0 m . . . . . 0 C--O 1.235 0.333 0 CA-C-O 120.684 0.278 . . . . 0.0 111.518 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -152.43 127.04 9.42 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.116 179.599 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -86.04 -26.29 25.43 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 120.844 0.354 . . . . 0.0 110.911 176.528 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.67 -28.04 67.3 Favored Glycine 0 C--N 1.332 0.319 0 C-N-CA 120.864 -0.684 . . . . 0.0 112.534 -179.582 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.442 ' HB1' ' HB2' ' A' ' 78' ' ' GLN . . . -80.25 8.42 7.43 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.126 0.489 . . . . 0.0 111.107 179.391 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.501 HG22 ' CD1' ' A' ' 81' ' ' LEU . 3.4 t -116.7 -44.17 3.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.871 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 17.2 m120 -64.9 -23.78 67.33 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-O 120.942 0.401 . . . . 0.0 111.37 -175.894 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 15.5 ptm180 -86.43 5.44 35.09 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.426 -177.53 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.4 HD11 ' HB3' ' A' ' 81' ' ' LEU . 96.1 mt -75.07 -25.44 58.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.818 0.342 . . . . 0.0 110.692 178.815 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 14.6 p -78.83 -1.2 33.79 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.191 0.52 . . . . 0.0 110.81 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 35.0 t -87.89 170.55 11.06 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.656 177.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.34 -15.38 62.5 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.827 -179.428 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -53.08 -66.0 0.46 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.7 179.529 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.513 ' O ' HG23 ' A' ' 39' ' ' VAL . . . -67.69 -47.15 70.25 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.099 -178.771 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -55.82 -26.13 44.98 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.885 -175.442 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 23.0 t -86.22 -20.01 29.15 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 111.988 0.366 . . . . 0.0 111.988 179.633 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.485 ' HD2' ' OE1' ' A' ' 82' ' ' GLU . 68.6 mtt180 -98.02 -46.8 5.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.735 0.779 . . . . 0.0 109.504 -178.137 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.516 HG21 HD21 ' B' ' 108' ' ' LEU . 59.9 t -59.28 -43.87 90.88 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-N 114.383 -1.28 . . . . 0.0 111.324 -178.454 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.472 ' O ' HG12 ' A' ' 43' ' ' ILE . 77.7 p -69.63 -18.49 63.6 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.335 -176.598 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 41.7 t -84.41 -8.78 58.86 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.956 0.408 . . . . 0.0 110.545 -179.039 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 44.0 m-80 -122.54 -1.79 9.01 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.275 -174.488 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.515 HG13 ' N ' ' A' ' 44' ' ' ALA . 5.2 pt -62.19 -40.54 88.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.943 0.401 . . . . 0.0 110.67 177.868 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.515 ' N ' HG13 ' A' ' 43' ' ' ILE . . . -80.28 -6.65 58.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.202 0.525 . . . . 0.0 110.724 -177.636 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -86.97 -51.76 5.84 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.079 178.2 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.446 HG21 ' HB3' ' A' ' 87' ' ' LEU . 48.7 mt -65.33 -34.69 72.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.465 179.359 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.666 ' HB1' HD13 ' B' ' 96' ' ' ILE . . . -63.53 -16.43 60.72 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.261 178.645 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 35.5 t -108.21 -2.64 19.19 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.258 -176.376 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -132.86 -27.37 0.59 Allowed Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.017 -1.087 . . . . 0.0 113.799 -176.438 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 73.3 -78.09 0.84 Allowed Glycine 0 N--CA 1.447 -0.588 0 N-CA-C 111.447 -0.661 . . . . 0.0 111.447 -178.248 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -119.77 -21.07 7.38 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-O 120.993 0.425 . . . . 0.0 110.34 178.863 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 17.9 m -74.28 -10.04 59.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.547 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.412 ' HB3' ' HA ' ' A' ' 46' ' ' ILE . . . -95.42 -14.95 23.36 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.947 179.654 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.423 HD11 HG11 ' B' ' 88' ' ' VAL . 53.1 mt -56.21 -58.61 15.5 Favored Pre-proline 0 C--N 1.326 -0.439 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.888 -176.435 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.4 ' HD3' ' HB2' ' A' ' 54' ' ' LEU . 28.0 Cg_endo -63.81 -21.88 69.3 Favored 'Trans proline' 0 C--N 1.35 0.627 0 C-N-CA 121.84 1.693 . . . . 0.0 112.39 -177.532 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 15.4 m -82.34 -41.61 19.81 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 120.896 0.379 . . . . 0.0 110.449 179.02 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 78.2 t -83.56 -40.1 15.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.134 -173.664 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.557 HG12 ' HG ' ' A' ' 83' ' ' LEU . 49.7 mt -58.71 -43.8 88.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-O 121.021 0.439 . . . . 0.0 110.406 177.77 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 58.1 m -69.03 -28.33 66.46 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.751 -179.613 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 92.4 m-20 -64.36 -59.25 4.6 Favored 'General case' 0 CA--C 1.517 -0.315 0 CA-C-O 121.396 0.617 . . . . 0.0 110.453 174.825 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.486 ' O ' HG23 ' A' ' 65' ' ' VAL . 48.1 mt -65.46 -43.63 94.46 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 115.262 -0.881 . . . . 0.0 111.261 -175.709 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.439 ' O ' HG23 ' A' ' 66' ' ' VAL . 55.5 t80 -55.75 -52.33 64.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.51 -0.314 . . . . 0.0 110.523 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 18.4 t -62.96 -30.24 71.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.228 -179.697 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -65.81 -43.69 93.52 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 121.051 -0.595 . . . . 0.0 112.126 178.77 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.724 HG12 HG11 ' A' ' 70' ' ' VAL . 20.6 t -74.94 -42.32 46.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 120.723 0.297 . . . . 0.0 110.934 -179.248 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.508 ' HA ' HG12 ' A' ' 70' ' ' VAL . 75.1 t -58.7 -37.86 68.29 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.258 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.923 -179.457 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.8 -14.84 56.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.699 179.514 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 9.3 t -88.44 -3.45 58.82 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.608 -0.269 . . . . 0.0 110.955 -178.706 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 88.18 31.54 14.1 Favored Glycine 0 C--N 1.33 0.223 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.711 177.716 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.724 HG11 HG12 ' A' ' 65' ' ' VAL . 8.9 p -87.38 161.65 2.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 N-CA-C 110.231 -0.285 . . . . 0.0 110.231 178.412 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 44.5 t -70.29 156.36 39.38 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 110.399 -0.223 . . . . 0.0 110.399 176.24 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 12.5 m -60.1 -58.78 7.07 Favored 'General case' 0 CA--C 1.533 0.303 0 N-CA-C 112.149 0.426 . . . . 0.0 112.149 -174.743 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -70.25 -30.03 66.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.97 0.414 . . . . 0.0 110.003 -176.345 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -68.58 -35.74 77.78 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.111 -0.495 . . . . 0.0 109.988 177.476 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.538 ' HB2' HG13 ' A' ' 70' ' ' VAL . . . -62.95 -41.67 99.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.477 175.437 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.458 HD23 ' HB3' ' A' ' 118' ' ' TYR . 3.0 tm? -56.69 -46.11 81.36 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.909 178.345 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.672 ' O ' ' HG ' ' A' ' 81' ' ' LEU . 44.4 mm -65.16 -57.14 12.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.672 179.78 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' GLN . . . . . 0.466 ' HG2' HG11 ' A' ' 65' ' ' VAL . 37.4 tp60 -51.81 -51.59 55.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.078 179.064 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.32 -38.6 91.61 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.514 -176.722 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.451 ' O ' HD23 ' A' ' 84' ' ' LEU . 7.7 mt -70.02 -39.86 75.56 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.658 -0.417 . . . . 0.0 111.175 179.814 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.707 HD22 HG11 ' B' ' 115' ' ' VAL . 15.5 mt -65.16 -37.77 88.43 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 120.986 0.422 . . . . 0.0 109.917 179.672 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.485 ' OE1' ' HD2' ' A' ' 38' ' ' ARG . 45.4 mt-10 -64.21 -41.94 96.83 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.346 171.349 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.557 ' HG ' HG12 ' A' ' 58' ' ' ILE . 3.5 tm? -62.44 -45.54 92.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.319 -179.173 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.451 HD23 ' O ' ' A' ' 80' ' ' LEU . 4.6 mm? -72.61 -2.53 20.33 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.645 -177.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 57.8 m -94.9 -35.29 12.09 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.982 0.42 . . . . 0.0 110.381 176.597 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.443 ' HB2' HG13 ' A' ' 39' ' ' VAL . . . -64.43 -45.17 88.67 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.849 -176.898 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.469 HD12 HG13 ' A' ' 88' ' ' VAL . 1.2 pp -80.23 -17.78 51.32 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 113.073 0.768 . . . . 0.0 113.073 -171.935 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.469 HG13 HD12 ' A' ' 87' ' ' LEU . 17.5 m -92.83 -22.07 5.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 C-N-CA 120.248 -0.581 . . . . 0.0 110.791 176.677 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 81.9 t60 -68.2 -37.48 80.93 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.036 176.335 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.521 ' HB ' ' CD1' ' B' ' 96' ' ' ILE . 25.6 m -64.56 -26.88 41.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.614 -174.41 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.641 ' HA ' ' HB3' ' A' ' 94' ' ' ALA . 3.5 mm? -64.75 -19.7 65.94 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.097 179.437 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 23.1 t -60.78 -27.1 67.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.089 179.583 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 10.0 t -127.12 10.3 6.88 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.257 0.551 . . . . 0.0 110.237 179.406 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.641 ' HB3' ' HA ' ' A' ' 91' ' ' LEU . . . -101.09 98.02 8.51 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.235 179.63 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 8.1 t -77.5 88.25 3.84 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.216 0.531 . . . . 0.0 109.847 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.718 HD13 ' HB1' ' B' ' 47' ' ' ALA . 18.5 tt -65.97 149.64 11.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.744 -177.899 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -97.24 -118.16 3.66 Favored Glycine 0 N--CA 1.446 -0.638 0 C-N-CA 120.968 -0.634 . . . . 0.0 111.808 176.103 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -104.0 129.4 51.6 Favored 'General case' 0 C--N 1.321 -0.635 0 O-C-N 122.764 -0.257 . . . . 0.0 110.494 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.434 ' CG1' HD11 ' A' ' 96' ' ' ILE . 2.4 m -125.36 121.95 61.65 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-O 120.947 0.403 . . . . 0.0 110.754 175.137 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 49.8 m -103.3 166.59 10.34 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.858 -179.046 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' SER . . . . . 0.404 ' CB ' ' HB2' ' B' ' 40' ' ' SER . 5.7 p -77.47 -11.64 59.87 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.957 -0.565 . . . . 0.0 112.075 -175.75 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 3.5 p -75.65 101.96 2.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-O 121.468 0.651 . . . . 0.0 111.363 -175.83 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 128.21 -14.85 6.19 Favored Glycine 0 N--CA 1.449 -0.451 0 CA-C-N 115.638 -0.71 . . . . 0.0 113.043 176.022 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.444 ' O ' HD12 ' A' ' 108' ' ' LEU . 23.3 t -58.31 -34.46 50.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.958 0.409 . . . . 0.0 110.018 177.635 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -56.05 -41.59 75.27 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.224 -0.898 . . . . 0.0 110.16 178.58 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 35.1 m -77.03 -39.05 51.57 Favored 'General case' 0 CA--C 1.529 0.138 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.632 -179.417 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 29.2 m -58.07 -35.82 71.92 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 121.237 0.542 . . . . 0.0 110.653 179.573 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.536 ' O ' HG12 ' A' ' 111' ' ' VAL . 1.6 mt -61.18 -24.58 66.42 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.451 -0.795 . . . . 0.0 111.916 178.32 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -72.07 -26.71 62.27 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.985 0.421 . . . . 0.0 110.373 179.275 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 23.0 t -84.79 -37.36 12.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.065 -176.094 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.536 HG12 ' O ' ' A' ' 108' ' ' LEU . 7.3 p -59.93 -29.2 42.78 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.237 0 CA-C-O 121.369 0.604 . . . . 0.0 110.399 -179.718 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 112' ' ' GLN . . . . . 0.487 ' HG3' ' O ' ' A' ' 108' ' ' LEU . 24.9 mt-30 -66.1 -21.7 66.37 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.413 -0.812 . . . . 0.0 111.056 -179.346 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -82.49 -37.48 25.25 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.58 -176.065 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 5.3 m -79.7 -41.88 25.85 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.29 -0.868 . . . . 0.0 111.887 -170.708 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.421 HG12 ' O ' ' A' ' 111' ' ' VAL . 8.2 p -110.98 -19.99 6.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-O 120.935 0.398 . . . . 0.0 111.647 -174.039 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -64.24 -16.39 60.13 Favored Glycine 0 CA--C 1.517 0.205 0 C-N-CA 121.223 -0.513 . . . . 0.0 113.12 -177.102 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -95.46 2.31 54.4 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.597 0.237 . . . . 0.0 111.161 179.493 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 118' ' ' TYR . . . . . 0.458 ' HB3' HD23 ' A' ' 76' ' ' LEU . 74.2 m-85 -111.15 -29.67 7.77 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.997 0.427 . . . . 0.0 110.614 177.004 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.414 HG21 HG21 ' B' ' 27' ' ' VAL . 32.0 m . . . . . 0 C--N 1.326 -0.42 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.696 177.183 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 37.5 m . . . . . 0 N--CA 1.447 -0.608 0 CA-C-O 120.678 0.275 . . . . 0.0 110.81 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 23' ' ' TYR . . . . . 0.471 ' CE1' ' HA ' ' B' ' 74' ' ' GLU . 1.1 m-85 -151.7 119.24 6.05 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-N 116.233 -0.44 . . . . 0.0 109.906 179.609 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.48 -30.16 53.0 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-O 121.177 0.513 . . . . 0.0 110.824 177.639 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.32 -28.52 67.2 Favored Glycine 0 CA--C 1.518 0.23 0 CA-C-N 116.045 -0.525 . . . . 0.0 112.959 -177.241 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 26' ' ' ALA . . . . . 0.512 ' HB1' ' HB2' ' B' ' 78' ' ' GLN . . . -72.33 -19.82 61.58 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.217 0.532 . . . . 0.0 110.381 179.501 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 27' ' ' VAL . . . . . 0.459 HG22 HD11 ' B' ' 81' ' ' LEU . 3.1 t -89.56 -39.1 12.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.368 -178.013 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 30.4 m120 -67.86 -17.61 64.55 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.031 0.382 . . . . 0.0 112.031 -175.502 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 12.8 ptm180 -96.06 11.16 35.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.682 0.277 . . . . 0.0 111.246 -177.517 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 30' ' ' LEU . . . . . 0.533 HD11 ' HB3' ' B' ' 81' ' ' LEU . 86.8 mt -81.17 -23.65 38.09 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.065 0.46 . . . . 0.0 110.658 -179.805 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 8.5 p -75.39 -3.15 32.02 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.499 0.666 . . . . 0.0 110.265 177.204 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 48.3 t -84.94 154.19 22.35 Favored 'General case' 0 N--CA 1.447 -0.624 0 CA-C-N 115.16 -0.927 . . . . 0.0 110.002 178.842 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.94 -22.36 62.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.148 -179.292 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -49.52 -58.27 5.51 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.286 -0.87 . . . . 0.0 110.944 178.691 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 35' ' ' ALA . . . . . 0.685 ' O ' HG23 ' B' ' 39' ' ' VAL . . . -63.3 -54.02 43.62 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.276 -0.875 . . . . 0.0 110.666 179.279 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.11 -34.05 20.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.07 -0.514 . . . . 0.0 112.344 -174.59 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 20.1 m -74.86 -20.9 59.54 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 111.852 0.316 . . . . 0.0 111.852 -177.831 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 38' ' ' ARG . . . . . 0.483 ' HD2' ' OE1' ' B' ' 82' ' ' GLU . 59.3 mtt180 -97.65 -44.66 6.68 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.768 0.794 . . . . 0.0 109.419 -179.087 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 39' ' ' VAL . . . . . 0.685 HG23 ' O ' ' B' ' 35' ' ' ALA . 21.4 t -62.45 -44.19 99.03 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.827 0 CA-C-N 114.349 -1.296 . . . . 0.0 111.12 -175.787 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 40' ' ' SER . . . . . 0.46 ' O ' HG12 ' B' ' 43' ' ' ILE . 78.2 p -68.93 -19.59 64.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.312 0.577 . . . . 0.0 110.868 -179.884 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 43.4 t -79.4 -10.07 59.73 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.44 -179.258 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 43.3 m-80 -124.29 -2.44 8.06 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.643 -175.202 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 43' ' ' ILE . . . . . 0.521 HG13 ' N ' ' B' ' 44' ' ' ALA . 4.6 pt -61.77 -41.54 90.98 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-O 120.787 0.327 . . . . 0.0 110.662 177.856 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 44' ' ' ALA . . . . . 0.521 ' N ' HG13 ' B' ' 43' ' ' ILE . . . -78.54 -11.14 59.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.022 0.439 . . . . 0.0 110.939 -177.119 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -84.28 -52.77 5.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.056 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 46' ' ' ILE . . . . . 0.422 HG21 ' HB3' ' B' ' 87' ' ' LEU . 45.0 mt -64.64 -35.2 74.11 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.344 179.413 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 47' ' ' ALA . . . . . 0.718 ' HB1' HD13 ' A' ' 96' ' ' ILE . . . -64.84 -20.17 66.26 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.575 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 22.7 t -97.17 -27.95 14.32 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.451 -174.868 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -115.15 -17.63 6.66 Favored Glycine 0 C--N 1.331 0.285 0 C-N-CA 120.454 -0.879 . . . . 0.0 113.521 -175.813 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 75.57 -80.08 1.05 Allowed Glycine 0 N--CA 1.448 -0.524 0 N-CA-C 111.613 -0.595 . . . . 0.0 111.613 179.655 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -118.7 -15.06 9.52 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-N 115.096 -0.552 . . . . 0.0 110.21 178.424 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 27.2 t -71.88 -17.15 62.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.833 -0.621 . . . . 0.0 109.901 -179.549 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -94.49 -13.36 26.22 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.341 -178.108 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 54' ' ' LEU . . . . . 0.463 ' N ' ' HD2' ' B' ' 55' ' ' PRO . 32.1 mt -54.08 -57.69 16.91 Favored Pre-proline 0 CA--C 1.534 0.352 0 N-CA-C 112.014 0.376 . . . . 0.0 112.014 -176.03 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 55' ' ' PRO . . . . . 0.463 ' HD2' ' N ' ' B' ' 54' ' ' LEU . 18.5 Cg_endo -58.91 -26.11 79.69 Favored 'Trans proline' 0 C--N 1.355 0.87 0 C-N-CA 122.407 2.071 . . . . 0.0 112.385 -177.661 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 50.6 m -86.56 -42.83 13.18 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.986 -178.685 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 57.3 t -74.11 -39.61 50.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.383 -173.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 58' ' ' ILE . . . . . 0.444 HG12 ' HG ' ' B' ' 83' ' ' LEU . 50.1 mt -61.04 -39.43 82.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.063 176.111 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 31.0 t -68.87 -33.17 73.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.942 0.401 . . . . 0.0 110.185 179.551 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 95.8 m-20 -64.41 -54.0 39.69 Favored 'General case' 0 CA--C 1.519 -0.249 0 CA-C-O 121.277 0.56 . . . . 0.0 110.53 178.225 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 61' ' ' ILE . . . . . 0.488 ' O ' HG23 ' B' ' 65' ' ' VAL . 58.9 mt -70.28 -45.48 75.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-N 115.434 -0.803 . . . . 0.0 111.452 -176.164 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 62' ' ' TYR . . . . . 0.54 ' O ' HG23 ' B' ' 66' ' ' VAL . 46.0 t80 -54.65 -55.28 31.25 Favored 'General case' 0 C--N 1.331 -0.198 0 O-C-N 123.171 0.294 . . . . 0.0 110.874 -178.129 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 22.1 t -61.3 -32.6 72.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.914 0.388 . . . . 0.0 110.307 -178.622 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -66.66 -41.07 94.1 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.812 -0.709 . . . . 0.0 111.803 179.44 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 65' ' ' VAL . . . . . 0.656 HG12 HG11 ' B' ' 70' ' ' VAL . 48.7 t -69.91 -41.87 79.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 120.798 0.332 . . . . 0.0 110.454 177.604 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 66' ' ' VAL . . . . . 0.54 HG23 ' O ' ' B' ' 62' ' ' TYR . 87.3 t -60.37 -40.07 82.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.859 179.71 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -72.86 -5.81 40.78 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.729 -179.735 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 21.0 t -86.42 -15.73 39.4 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.535 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 98.36 33.41 5.68 Favored Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.609 -0.805 . . . . 0.0 112.268 -179.417 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 70' ' ' VAL . . . . . 0.656 HG11 HG12 ' B' ' 65' ' ' VAL . 12.3 p -86.89 160.94 2.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 N-CA-C 110.195 -0.298 . . . . 0.0 110.195 178.364 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 22.8 t -66.06 147.9 52.63 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 173.739 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 9.9 m -52.17 -60.16 3.53 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 113.267 0.839 . . . . 0.0 113.267 -171.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -82.14 -13.5 57.12 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.441 -0.503 . . . . 0.0 110.657 -174.882 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 74' ' ' GLU . . . . . 0.471 ' HA ' ' CE1' ' B' ' 23' ' ' TYR . 36.1 tt0 -74.35 -29.95 61.8 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 175.716 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -57.75 -36.72 72.47 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 115.089 -0.96 . . . . 0.0 110.819 177.199 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 76' ' ' LEU . . . . . 0.517 HD23 ' HB3' ' B' ' 118' ' ' TYR . 3.0 tm? -57.07 -51.74 68.08 Favored 'General case' 0 CA--C 1.518 -0.251 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.145 178.557 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 77' ' ' ILE . . . . . 0.713 ' O ' ' HG ' ' B' ' 81' ' ' LEU . 33.9 mm -62.6 -54.2 37.13 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-N 115.899 -0.592 . . . . 0.0 111.149 -177.064 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 78' ' ' GLN . . . . . 0.512 ' HB2' ' HB1' ' B' ' 26' ' ' ALA . 19.4 tt0 -57.78 -47.43 82.56 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 121.045 -0.262 . . . . 0.0 111.161 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -59.29 -41.42 88.93 Favored 'General case' 0 CA--C 1.517 -0.319 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.487 179.552 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 80' ' ' LEU . . . . . 0.565 ' O ' HD13 ' B' ' 84' ' ' LEU . 2.1 mm? -62.9 -50.66 69.98 Favored 'General case' 0 N--CA 1.446 -0.632 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.785 176.467 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 81' ' ' LEU . . . . . 0.713 ' HG ' ' O ' ' B' ' 77' ' ' ILE . 38.7 mt -54.62 -45.3 73.67 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.853 0.359 . . . . 0.0 111.19 -178.701 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 82' ' ' GLU . . . . . 0.483 ' OE1' ' HD2' ' B' ' 38' ' ' ARG . 59.2 mt-10 -66.57 -35.15 79.51 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.736 177.718 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 83' ' ' LEU . . . . . 0.444 ' HG ' HG12 ' B' ' 58' ' ' ILE . 3.4 tm? -64.37 -45.88 85.8 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.133 -0.485 . . . . 0.0 109.963 174.577 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 84' ' ' LEU . . . . . 0.565 HD13 ' O ' ' B' ' 80' ' ' LEU . 10.9 mp -62.09 -14.87 40.77 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.403 -0.817 . . . . 0.0 111.556 -179.733 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 42.6 m -93.53 -33.48 13.75 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.916 0.388 . . . . 0.0 111.399 -175.694 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -68.32 -41.12 81.28 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.207 0.527 . . . . 0.0 111.027 -176.012 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 87' ' ' LEU . . . . . 0.465 HD12 ' N ' ' B' ' 88' ' ' VAL . 1.0 OUTLIER -83.78 -18.0 39.21 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 112.904 0.705 . . . . 0.0 112.904 -172.086 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 88' ' ' VAL . . . . . 0.465 ' N ' HD12 ' B' ' 87' ' ' LEU . 18.5 m -89.76 -21.68 6.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 C-N-CA 120.204 -0.599 . . . . 0.0 110.47 177.034 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 89' ' ' HIS . . . . . . . . . . . . . 71.1 t60 -72.28 -37.16 69.09 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.155 177.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 90' ' ' VAL . . . . . . . . . . . . . 33.2 m -64.14 -27.39 42.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 C-N-CA 120.797 -0.361 . . . . 0.0 111.814 -175.773 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 91' ' ' LEU . . . . . 0.628 ' HA ' ' HB3' ' B' ' 94' ' ' ALA . 3.0 mm? -66.45 -20.14 65.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.659 0.266 . . . . 0.0 110.949 179.464 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 18.9 t -64.51 -14.89 59.57 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.96 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 22.7 t -142.95 23.14 1.9 Allowed 'General case' 0 C--O 1.236 0.361 0 CA-C-O 121.484 0.659 . . . . 0.0 109.978 176.067 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 94' ' ' ALA . . . . . 0.628 ' HB3' ' HA ' ' B' ' 91' ' ' LEU . . . -106.23 98.52 8.19 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.861 177.068 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 19.8 m -67.92 85.06 0.22 Allowed 'General case' 0 N--CA 1.428 -1.529 0 CA-C-N 115.921 -0.582 . . . . 0.0 111.096 178.533 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 96' ' ' ILE . . . . . 0.666 HD13 ' HB1' ' A' ' 47' ' ' ALA . 19.7 tt -73.71 139.99 18.47 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.492 0 CA-C-O 121.019 0.438 . . . . 0.0 111.051 177.374 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 97' ' ' GLY . . . . . . . . . . . . . . . -97.85 -101.59 2.15 Favored Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.756 -179.241 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 98' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -117.3 109.86 17.36 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.669 0.271 . . . . 0.0 111.096 -176.113 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 99' ' ' VAL . . . . . 0.424 ' CG1' HD11 ' B' ' 96' ' ' ILE . 3.3 m -108.41 149.79 11.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.489 174.537 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 100' ' ' SER . . . . . . . . . . . . . 49.9 m -140.92 168.15 20.47 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.034 -179.326 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 101' ' ' SER . . . . . 0.469 ' CB ' ' HB2' ' A' ' 40' ' ' SER . 10.8 p -70.33 -6.52 35.79 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 112.501 0.556 . . . . 0.0 112.501 -174.825 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 7.3 p -76.65 106.74 6.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 121.706 0.765 . . . . 0.0 111.59 -176.05 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . 116.83 -11.01 15.53 Favored Glycine 0 N--CA 1.449 -0.46 0 CA-C-N 115.471 -0.786 . . . . 0.0 113.627 172.435 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 104' ' ' VAL . . . . . . . . . . . . . 26.1 t -57.75 -34.9 49.03 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.258 0 CA-C-O 120.97 0.414 . . . . 0.0 110.328 178.55 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -53.42 -38.51 63.54 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 114.99 -1.005 . . . . 0.0 110.364 178.408 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 5.8 m -80.57 -37.95 30.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.435 -0.802 . . . . 0.0 111.506 -176.39 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 24.1 m -60.82 -35.34 76.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.195 0.521 . . . . 0.0 110.258 179.295 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 108' ' ' LEU . . . . . 0.516 HD21 HG21 ' A' ' 39' ' ' VAL . 3.1 mt -62.53 -22.67 66.48 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.892 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 109' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -70.22 -27.92 64.86 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.034 0.445 . . . . 0.0 110.181 178.55 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 110' ' ' VAL . . . . . . . . . . . . . 18.8 t -84.78 -37.22 12.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.138 -175.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 111' ' ' VAL . . . . . 0.513 ' O ' HG12 ' B' ' 115' ' ' VAL . 7.5 p -62.12 -31.82 52.62 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.359 0 CA-C-O 121.222 0.534 . . . . 0.0 110.27 -178.325 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 112' ' ' GLN . . . . . 0.462 ' HG2' HG12 ' A' ' 27' ' ' VAL . 25.6 mt-30 -66.76 -25.6 66.57 Favored 'General case' 0 CA--C 1.521 -0.155 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.518 179.751 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 113' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -80.4 -32.87 37.42 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.175 -0.921 . . . . 0.0 111.125 -175.151 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 5.8 m -85.04 -37.25 20.57 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.619 -0.719 . . . . 0.0 112.031 -172.236 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 115' ' ' VAL . . . . . 0.707 HG11 HD22 ' A' ' 81' ' ' LEU . 14.8 p -111.93 -20.15 6.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-O 120.761 0.315 . . . . 0.0 111.75 -174.058 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 116' ' ' GLY . . . . . . . . . . . . . . . -61.83 -23.38 63.29 Favored Glycine 0 C--N 1.33 0.227 0 C-N-CA 121.26 -0.495 . . . . 0.0 113.246 -175.734 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -86.49 1.82 50.13 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.579 0.228 . . . . 0.0 111.43 -178.255 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 118' ' ' TYR . . . . . 0.517 ' HB3' HD23 ' B' ' 76' ' ' LEU . 86.3 m-85 -114.32 -31.51 6.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.74 0.305 . . . . 0.0 111.073 178.409 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 119' ' ' VAL . . . . . 0.485 HG21 HG21 ' A' ' 27' ' ' VAL . 27.2 m -83.31 -2.33 6.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.421 179.48 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.976 0 CA-C-O 118.072 -1.404 . . . . 0.0 110.894 177.869 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.448 ' HB3' ' O ' ' B' ' 119' ' ' VAL . 24.9 m . . . . . 0 CA--C 1.516 -0.36 0 CA-C-O 120.699 0.285 . . . . 0.0 110.621 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.415 ' OH ' ' HB3' ' A' ' 73' ' ' ASN . 0.2 OUTLIER -149.48 131.77 15.55 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.268 -177.728 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -96.76 -17.15 20.47 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.574 179.82 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.15 -35.24 83.36 Favored Glycine 0 C--N 1.332 0.34 0 C-N-CA 120.865 -0.683 . . . . 0.0 111.981 -177.519 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.7 ' HB1' ' HB2' ' A' ' 78' ' ' GLN . . . -63.67 -24.44 67.79 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.222 -0.489 . . . . 0.0 111.292 177.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.509 HG22 ' CD1' ' A' ' 81' ' ' LEU . 2.6 t -91.4 -42.89 13.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.072 -172.045 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 20.0 m120 -63.64 -26.42 68.67 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 120.916 0.388 . . . . 0.0 111.001 -175.697 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 12.7 ptm180 -86.58 1.92 50.01 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.782 -175.792 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 93.3 mt -73.19 -24.14 60.5 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.948 0.404 . . . . 0.0 110.996 -179.055 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 17.0 p -80.6 1.01 31.54 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.142 -179.032 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 22.8 m -91.12 169.71 10.62 Favored 'General case' 0 N--CA 1.442 -0.85 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.362 177.42 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.38 -18.35 61.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.796 -179.53 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -53.72 -61.86 2.03 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.946 -178.882 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.515 ' O ' HG23 ' A' ' 39' ' ' VAL . . . -68.12 -49.34 61.72 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.268 -178.602 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -51.01 -35.48 34.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 112.082 -174.862 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 21.7 t -78.86 -21.67 47.19 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.919 -177.316 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.449 ' HD2' ' OE1' ' A' ' 82' ' ' GLU . 65.0 mtt180 -95.45 -44.06 7.71 Favored 'General case' 0 CA--C 1.515 -0.392 0 CA-C-O 121.925 0.869 . . . . 0.0 109.42 -177.808 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.515 HG23 ' O ' ' A' ' 35' ' ' ALA . 59.2 t -63.55 -38.19 81.59 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.813 0 CA-C-N 114.16 -1.382 . . . . 0.0 110.927 -177.196 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.494 ' O ' HG12 ' A' ' 43' ' ' ILE . 79.5 p -69.35 -20.08 63.85 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.107 0.48 . . . . 0.0 110.921 179.698 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 39.5 t -85.2 -7.92 58.81 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.639 -177.825 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 41.3 m-80 -122.69 -1.97 8.91 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.524 -175.335 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.53 HG13 ' N ' ' A' ' 44' ' ' ALA . 5.5 pt -61.77 -42.19 93.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.931 0.396 . . . . 0.0 111.069 177.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.53 ' N ' HG13 ' A' ' 43' ' ' ILE . . . -76.54 -16.41 59.63 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.012 0.434 . . . . 0.0 110.663 -176.091 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -79.66 -52.37 8.05 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.185 -178.752 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.496 HG21 ' HB3' ' A' ' 87' ' ' LEU . 34.6 mt -66.36 -32.87 60.02 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.246 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.221 179.633 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.688 ' HB1' HD13 ' B' ' 96' ' ' ILE . . . -64.29 -25.34 68.01 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.676 179.078 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 33.4 t -91.65 -38.54 12.38 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.033 -178.225 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -92.97 -31.19 8.72 Favored Glycine 0 CA--C 1.518 0.265 0 C-N-CA 120.737 -0.745 . . . . 0.0 113.525 -175.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 79.14 -73.06 2.39 Favored Glycine 0 N--CA 1.449 -0.447 0 N-CA-C 111.417 -0.673 . . . . 0.0 111.417 -177.058 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -122.44 -25.77 4.72 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.955 0.407 . . . . 0.0 110.879 -179.728 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 11.1 p -70.43 -15.9 62.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.186 0.517 . . . . 0.0 110.806 -178.576 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -88.59 -16.02 33.58 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.759 -178.207 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.454 HD11 HG11 ' B' ' 88' ' ' VAL . 48.6 mt -55.28 -57.77 18.55 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.783 -177.53 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.432 ' HD2' ' N ' ' A' ' 54' ' ' LEU . 19.5 Cg_endo -60.79 -23.9 77.67 Favored 'Trans proline' 0 C--N 1.354 0.817 0 C-N-CA 121.991 1.794 . . . . 0.0 112.535 -178.487 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 30.3 m -85.6 -44.09 12.92 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.782 0.325 . . . . 0.0 111.186 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 76.3 t -76.65 -38.31 30.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.723 -172.628 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.498 HG12 ' HG ' ' A' ' 83' ' ' LEU . 59.2 mt -59.17 -39.54 78.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.022 176.368 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 35.4 t -68.97 -36.96 78.48 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.073 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -61.1 -54.22 47.39 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-O 121.257 0.551 . . . . 0.0 110.606 178.176 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.47 ' O ' HG23 ' A' ' 65' ' ' VAL . 60.7 mt -68.16 -45.18 83.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 115.446 -0.797 . . . . 0.0 111.386 -176.749 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.45 ' O ' HG23 ' A' ' 66' ' ' VAL . 54.5 t80 -54.66 -49.22 71.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.792 0.33 . . . . 0.0 110.73 -177.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 19.7 m -60.09 -34.35 73.34 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.813 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -71.35 -41.3 59.12 Favored Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 120.611 -0.804 . . . . 0.0 111.464 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.797 HG12 HG11 ' A' ' 70' ' ' VAL . 61.5 t -65.06 -47.7 86.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-O 120.987 0.422 . . . . 0.0 110.909 178.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.51 ' HA ' HG12 ' A' ' 70' ' ' VAL . 91.0 t -60.84 -40.75 86.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.889 -179.222 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.76 -19.1 65.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.9 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 67.5 m -74.21 -25.16 59.51 Favored 'General case' 0 N--CA 1.444 -0.755 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.752 -179.086 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 106.34 37.08 2.53 Favored Glycine 0 N--CA 1.453 -0.185 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.278 -177.446 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.797 HG11 HG12 ' A' ' 65' ' ' VAL . 11.6 p -89.91 162.4 2.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 N-CA-C 109.908 -0.405 . . . . 0.0 109.908 178.136 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.405 ' N ' HG22 ' A' ' 70' ' ' VAL . 25.7 t -67.42 146.18 54.27 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.568 -0.531 . . . . 0.0 109.568 174.113 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 43.0 m -53.59 -46.35 70.32 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.606 0.595 . . . . 0.0 112.606 -173.891 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ASN . . . . . 0.415 ' HB3' ' OH ' ' A' ' 23' ' ' TYR . 2.0 t30 -85.44 -28.29 25.16 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.254 -0.578 . . . . 0.0 110.768 -175.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.425 ' CG ' ' HB2' ' A' ' 26' ' ' ALA . 43.4 tt0 -68.75 -27.4 65.88 Favored 'General case' 0 C--O 1.234 0.254 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 177.339 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -55.98 -38.82 70.93 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.103 176.513 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.591 HD23 ' HB3' ' A' ' 118' ' ' TYR . 3.0 tm? -57.19 -52.51 65.03 Favored 'General case' 0 CA--C 1.518 -0.277 0 CA-C-O 121.3 0.571 . . . . 0.0 109.525 177.098 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.612 ' O ' ' HG ' ' A' ' 81' ' ' LEU . 36.1 mm -60.67 -54.17 38.91 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-N 115.156 -0.929 . . . . 0.0 111.018 -177.401 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' GLN . . . . . 0.7 ' HB2' ' HB1' ' A' ' 26' ' ' ALA . 24.9 tt0 -58.24 -46.28 86.24 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.552 -0.295 . . . . 0.0 111.202 -179.558 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.2 -42.16 98.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.795 0.331 . . . . 0.0 110.536 -179.202 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.701 ' O ' ' HG ' ' A' ' 84' ' ' LEU . 3.6 mm? -65.44 -43.18 91.23 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.036 177.662 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.658 HD22 HG11 ' B' ' 115' ' ' VAL . 14.8 mt -66.69 -41.55 87.89 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.626 0.25 . . . . 0.0 111.43 -177.119 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.449 ' OE1' ' HD2' ' A' ' 38' ' ' ARG . 54.0 mt-10 -64.34 -35.87 82.28 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.109 0.48 . . . . 0.0 110.281 173.93 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.498 ' HG ' HG12 ' A' ' 58' ' ' ILE . 3.4 tm? -62.48 -43.73 98.09 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.901 175.374 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.701 ' HG ' ' O ' ' A' ' 80' ' ' LEU . 13.2 mt -64.77 -15.28 61.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.136 -177.769 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 34.9 m -91.77 -32.74 15.27 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 120.918 0.39 . . . . 0.0 110.826 -174.786 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.431 ' O ' HG13 ' A' ' 90' ' ' VAL . . . -68.32 -40.11 81.75 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.025 -176.273 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.496 ' HB3' HG21 ' A' ' 46' ' ' ILE . 1.2 pp -84.9 -16.6 40.58 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 112.944 0.72 . . . . 0.0 112.944 -172.298 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.448 HG13 HD12 ' A' ' 87' ' ' LEU . 16.9 m -93.37 -22.45 5.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 C-N-CA 120.197 -0.601 . . . . 0.0 110.613 176.213 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 74.8 t60 -69.55 -34.39 74.14 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.248 -0.433 . . . . 0.0 109.915 177.141 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.536 ' HA ' HG11 ' B' ' 99' ' ' VAL . 26.7 m -65.31 -26.64 40.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.432 -177.116 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.603 ' HA ' ' HB3' ' A' ' 94' ' ' ALA . 3.1 mm? -63.94 -19.6 65.25 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-O 120.876 0.369 . . . . 0.0 110.923 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 25.7 t -64.82 -23.17 67.15 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.02 179.085 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 8.1 t -131.99 14.96 4.74 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.81 0.814 . . . . 0.0 110.066 178.88 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.603 ' HB3' ' HA ' ' A' ' 91' ' ' LEU . . . -103.25 96.09 6.54 Favored 'General case' 0 N--CA 1.445 -0.684 0 CA-C-N 115.603 -0.726 . . . . 0.0 109.683 177.868 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 10.6 t -70.67 85.79 0.65 Allowed 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.076 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.697 HD13 ' HB1' ' B' ' 47' ' ' ALA . 15.4 tt -69.65 135.71 27.71 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.465 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.954 179.113 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -85.82 -90.78 0.89 Allowed Glycine 0 N--CA 1.447 -0.631 0 C-N-CA 120.856 -0.688 . . . . 0.0 112.212 -179.02 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 8.8 t30 -142.73 125.89 16.42 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 110.259 -0.274 . . . . 0.0 110.259 179.266 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.46 HG12 ' HB2' ' B' ' 93' ' ' SER . 8.9 m -107.04 143.18 18.14 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.749 179.57 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 49.0 m -105.42 141.37 37.04 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.509 -179.189 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 44.9 m -81.69 54.5 2.41 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.265 -177.836 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 7.1 p -150.83 133.62 6.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-O 120.873 0.368 . . . . 0.0 110.729 -179.343 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 101.37 -0.66 53.69 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.871 -0.681 . . . . 0.0 112.25 178.502 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 20.4 t -64.41 -30.2 49.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.663 0.268 . . . . 0.0 110.506 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -49.74 -46.55 50.57 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-O 121.524 0.678 . . . . 0.0 109.834 175.699 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 15.5 m -66.66 -37.45 84.82 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.429 -0.805 . . . . 0.0 111.532 -178.806 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 22.3 m -64.49 -40.77 96.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.213 0.53 . . . . 0.0 110.458 179.054 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.588 ' O ' HG12 ' A' ' 111' ' ' VAL . 4.0 mt -60.36 -38.54 84.17 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.287 -0.869 . . . . 0.0 111.198 178.268 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 14.7 m-80 -59.64 -26.31 65.41 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.489 177.462 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 39.9 t -87.55 -37.92 11.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.359 -178.098 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.588 HG12 ' O ' ' A' ' 108' ' ' LEU . 9.9 p -63.35 -23.7 33.99 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.243 0 CA-C-O 121.472 0.654 . . . . 0.0 110.557 -178.249 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 112' ' ' GLN . . . . . 0.554 ' HG2' HG12 ' B' ' 27' ' ' VAL . 21.3 mt-30 -70.58 -19.39 62.87 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.926 179.112 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -84.3 -32.58 24.28 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.063 -175.52 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 11.7 p -82.79 -45.48 14.3 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.921 -173.169 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.56 HG11 HD22 ' B' ' 81' ' ' LEU . 14.9 p -104.24 -18.66 6.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-O 121.067 0.461 . . . . 0.0 110.918 -174.554 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -61.11 -22.19 60.25 Favored Glycine 0 N--CA 1.451 -0.345 0 CA-C-N 115.814 -0.63 . . . . 0.0 112.869 -178.13 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -90.34 6.26 43.83 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.736 0.303 . . . . 0.0 111.127 -178.746 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 118' ' ' TYR . . . . . 0.591 ' HB3' HD23 ' A' ' 76' ' ' LEU . 73.9 m-85 -117.91 -34.17 4.25 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.258 0.552 . . . . 0.0 109.868 176.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.422 ' O ' ' HB3' ' B' ' 22' ' ' SER . 33.7 m . . . . . 0 C--N 1.326 -0.443 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.593 177.535 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 22' ' ' SER . . . . . 0.422 ' HB3' ' O ' ' A' ' 119' ' ' VAL . 6.0 m . . . . . 0 N--CA 1.448 -0.562 0 CA-C-O 120.91 0.386 . . . . 0.0 110.498 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -147.8 121.58 9.29 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -79.68 -20.19 47.17 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.455 -177.078 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -69.78 -20.33 75.82 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.37 -0.919 . . . . 0.0 112.072 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -80.75 4.12 20.01 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.526 0.679 . . . . 0.0 110.024 175.122 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 27' ' ' VAL . . . . . 0.554 HG12 ' HG2' ' A' ' 112' ' ' GLN . 2.6 t -117.71 -42.78 2.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.139 -0.937 . . . . 0.0 109.931 179.846 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 63.9 m-20 -69.74 -11.77 61.11 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.241 -0.89 . . . . 0.0 111.461 -175.082 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 76.3 ttt180 -92.99 1.87 57.09 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-O 121.348 0.594 . . . . 0.0 110.404 179.452 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 30' ' ' LEU . . . . . 0.6 HD11 ' HB3' ' B' ' 81' ' ' LEU . 68.2 mt -79.16 -29.58 43.12 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.253 179.473 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 3.0 p -78.27 7.41 6.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.441 0.638 . . . . 0.0 110.689 178.791 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 67.5 m -91.04 152.55 20.61 Favored 'General case' 0 N--CA 1.437 -1.077 0 CA-C-N 115.237 -0.892 . . . . 0.0 109.637 174.419 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.65 -14.99 62.32 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.972 0.415 . . . . 0.0 111.047 -178.909 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -57.7 -56.59 19.91 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.856 177.585 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 35' ' ' ALA . . . . . 0.61 ' O ' HG23 ' B' ' 39' ' ' VAL . . . -57.89 -52.0 67.3 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.56 -179.808 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -52.13 -31.0 29.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.395 -178.567 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 10.8 t -74.12 -27.31 60.8 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.563 -178.526 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 38' ' ' ARG . . . . . 0.424 ' HD2' ' OE1' ' B' ' 82' ' ' GLU . 65.1 mtt180 -96.39 -45.45 6.78 Favored 'General case' 0 CA--C 1.516 -0.342 0 CA-C-O 121.931 0.872 . . . . 0.0 109.888 -177.038 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 39' ' ' VAL . . . . . 0.61 HG23 ' O ' ' B' ' 35' ' ' ALA . 34.7 t -63.36 -36.9 77.98 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.825 0 CA-C-N 114.26 -1.336 . . . . 0.0 110.975 -175.448 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 40' ' ' SER . . . . . 0.468 ' O ' HG12 ' B' ' 43' ' ' ILE . 91.9 p -72.89 -12.24 60.89 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.97 0.414 . . . . 0.0 111.273 -179.029 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 9.8 t -89.55 -15.94 31.79 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.385 0.612 . . . . 0.0 110.034 -179.008 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 45.3 m-80 -112.43 -5.87 14.05 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.087 -174.168 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 43' ' ' ILE . . . . . 0.517 HG13 ' N ' ' B' ' 44' ' ' ALA . 5.3 pt -58.5 -42.19 83.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.972 177.725 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 44' ' ' ALA . . . . . 0.517 ' N ' HG13 ' B' ' 43' ' ' ILE . . . -79.21 -12.95 59.97 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.108 0.48 . . . . 0.0 110.657 -176.255 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -82.06 -49.91 9.67 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.998 -179.598 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 41.4 mt -65.62 -35.7 75.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.158 178.393 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 47' ' ' ALA . . . . . 0.697 ' HB1' HD13 ' A' ' 96' ' ' ILE . . . -62.72 -23.74 67.32 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.395 178.302 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 13.2 t -92.3 -38.02 12.31 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.207 -176.89 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -99.01 -21.82 14.75 Favored Glycine 0 CA--C 1.519 0.336 0 C-N-CA 120.399 -0.905 . . . . 0.0 113.457 -175.741 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 77.52 -75.79 1.77 Allowed Glycine 0 N--CA 1.448 -0.555 0 N-CA-C 111.695 -0.562 . . . . 0.0 111.695 -179.552 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -122.87 -27.45 4.27 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.163 0.506 . . . . 0.0 110.587 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 9.8 m -75.6 -3.2 33.01 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.725 -177.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -92.58 -18.01 23.66 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.431 177.461 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 54' ' ' LEU . . . . . 0.472 ' N ' ' HD2' ' B' ' 55' ' ' PRO . 47.5 mt -55.23 -56.34 29.66 Favored Pre-proline 0 CA--C 1.533 0.318 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.9 -177.478 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 55' ' ' PRO . . . . . 0.472 ' HD2' ' N ' ' B' ' 54' ' ' LEU . 14.7 Cg_endo -59.96 -23.2 72.03 Favored 'Trans proline' 0 C--N 1.353 0.798 0 C-N-CA 122.276 1.984 . . . . 0.0 112.621 -177.524 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 20.8 m -89.24 -38.75 14.0 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.029 0.442 . . . . 0.0 110.945 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 54.1 t -80.07 -42.16 21.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.838 -173.46 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 58' ' ' ILE . . . . . 0.543 HG12 ' HG ' ' B' ' 83' ' ' LEU . 58.1 mt -59.12 -37.39 67.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.862 176.818 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 15.8 t -68.64 -38.92 80.86 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.969 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -58.54 -53.51 57.54 Favored 'General case' 0 CA--C 1.517 -0.325 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.727 177.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 50.5 mt -70.58 -43.26 77.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.463 -175.901 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 62' ' ' TYR . . . . . 0.404 ' CE2' HG21 ' B' ' 66' ' ' VAL . 59.3 t80 -56.31 -48.67 76.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.811 0.338 . . . . 0.0 110.672 -178.427 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 19.7 m -60.42 -30.51 69.67 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.838 179.328 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -73.94 -42.62 36.99 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.956 -0.64 . . . . 0.0 111.692 179.351 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 65' ' ' VAL . . . . . 0.645 HG12 HG11 ' B' ' 70' ' ' VAL . 63.7 t -68.8 -44.36 82.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 120.813 0.34 . . . . 0.0 110.855 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 66' ' ' VAL . . . . . 0.404 HG21 ' CE2' ' B' ' 62' ' ' TYR . 77.3 t -60.26 -37.19 72.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-O 120.843 0.354 . . . . 0.0 110.806 179.649 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.57 -7.06 23.17 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.818 178.146 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 68' ' ' SER . . . . . 0.416 ' HB3' ' O ' ' B' ' 65' ' ' VAL . 40.3 t -83.13 -9.66 59.08 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.897 0.38 . . . . 0.0 110.243 177.352 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 91.23 30.26 11.24 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.85 -0.69 . . . . 0.0 112.217 178.133 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 70' ' ' VAL . . . . . 0.645 HG11 HG12 ' B' ' 65' ' ' VAL . 11.6 p -97.88 158.58 3.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-O 120.595 0.236 . . . . 0.0 110.458 -179.079 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 35.0 t -67.53 144.55 55.58 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 110.085 -0.339 . . . . 0.0 110.085 175.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 4.0 m -55.5 -46.75 76.93 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 112.323 0.49 . . . . 0.0 112.323 -175.053 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -68.72 -34.51 75.75 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.931 0.396 . . . . 0.0 110.205 -175.34 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -77.05 -32.22 56.76 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.074 0.464 . . . . 0.0 109.923 178.701 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 75' ' ' ALA . . . . . 0.625 ' HB2' HG13 ' B' ' 70' ' ' VAL . . . -62.39 -37.28 85.14 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.91 176.694 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 76' ' ' LEU . . . . . 0.464 ' O ' ' HB2' ' B' ' 80' ' ' LEU . 2.7 tm? -55.35 -44.38 75.91 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.097 -0.501 . . . . 0.0 109.953 178.313 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 77' ' ' ILE . . . . . 0.611 ' O ' ' HG ' ' B' ' 81' ' ' LEU . 46.6 mm -67.72 -55.46 16.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.89 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 78' ' ' GLN . . . . . . . . . . . . . 41.4 tp60 -53.42 -50.16 65.8 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-O 121.037 0.446 . . . . 0.0 111.058 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.31 -37.01 85.81 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.115 -177.05 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 80' ' ' LEU . . . . . 0.548 ' O ' HD23 ' B' ' 84' ' ' LEU . 4.3 mt -70.18 -39.3 75.34 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.928 178.841 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 81' ' ' LEU . . . . . 0.611 ' HG ' ' O ' ' B' ' 77' ' ' ILE . 23.6 mt -69.09 -37.29 78.35 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-O 120.727 0.299 . . . . 0.0 110.845 -179.235 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 82' ' ' GLU . . . . . 0.424 ' OE1' ' HD2' ' B' ' 38' ' ' ARG . 44.8 mt-10 -62.35 -34.77 77.31 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.15 0.5 . . . . 0.0 109.899 170.26 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 83' ' ' LEU . . . . . 0.543 ' HG ' HG12 ' B' ' 58' ' ' ILE . 3.4 tm? -68.64 -42.47 77.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.111 0.482 . . . . 0.0 110.063 178.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 84' ' ' LEU . . . . . 0.548 HD23 ' O ' ' B' ' 80' ' ' LEU . 3.7 mm? -66.87 -8.32 28.23 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.646 -0.706 . . . . 0.0 112.379 -176.78 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 37.9 t -100.53 -22.54 14.96 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 120.647 -0.421 . . . . 0.0 110.736 -179.426 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 86' ' ' ALA . . . . . 0.433 ' HB2' HG13 ' B' ' 39' ' ' VAL . . . -71.88 -43.69 65.0 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.289 0.566 . . . . 0.0 110.387 -178.018 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 87' ' ' LEU . . . . . 0.483 HD12 ' N ' ' B' ' 88' ' ' VAL . 1.0 OUTLIER -82.29 -20.53 37.31 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.34 -0.845 . . . . 0.0 112.937 -171.977 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 88' ' ' VAL . . . . . 0.483 ' N ' HD12 ' B' ' 87' ' ' LEU . 22.5 m -90.47 -22.3 6.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 C-N-CA 120.253 -0.579 . . . . 0.0 110.514 176.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 89' ' ' HIS . . . . . . . . . . . . . 64.7 t60 -68.43 -38.51 81.26 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.99 178.087 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 90' ' ' VAL . . . . . 0.412 ' HB ' ' CD1' ' A' ' 96' ' ' ILE . 31.5 m -65.97 -27.63 41.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.77 -175.462 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 91' ' ' LEU . . . . . 0.648 ' HA ' ' HB3' ' B' ' 94' ' ' ALA . 2.6 mm? -62.96 -21.94 66.45 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.611 -0.268 . . . . 0.0 111.122 -179.396 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 22.7 t -65.06 -26.59 68.31 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.808 0.337 . . . . 0.0 110.646 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 93' ' ' SER . . . . . 0.46 ' HB2' HG12 ' A' ' 99' ' ' VAL . 21.8 m -117.58 7.64 12.69 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.401 0.619 . . . . 0.0 110.344 179.412 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 94' ' ' ALA . . . . . 0.648 ' HB3' ' HA ' ' B' ' 91' ' ' LEU . . . -106.06 104.01 13.62 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.824 -177.852 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 26.6 t -80.94 92.92 6.23 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.118 0.485 . . . . 0.0 110.077 178.56 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 96' ' ' ILE . . . . . 0.688 HD13 ' HB1' ' A' ' 47' ' ' ALA . 13.6 tt -69.02 146.21 12.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.25 178.746 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 97' ' ' GLY . . . . . . . . . . . . . . . -95.05 -94.81 1.69 Allowed Glycine 0 N--CA 1.448 -0.541 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.243 178.428 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 98' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -137.08 115.69 12.03 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.805 0.336 . . . . 0.0 110.793 179.558 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 99' ' ' VAL . . . . . 0.536 HG11 ' HA ' ' A' ' 90' ' ' VAL . 2.6 m -98.3 131.66 44.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-O 121.12 0.486 . . . . 0.0 111.377 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 100' ' ' SER . . . . . . . . . . . . . 18.2 m -91.45 152.63 20.29 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.944 178.085 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 11.4 p -84.24 7.02 20.5 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.111 0.481 . . . . 0.0 111.375 -179.292 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 44.9 t -104.43 117.07 49.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.428 -176.507 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . 124.97 -10.59 7.86 Favored Glycine 0 N--CA 1.45 -0.371 0 CA-C-N 115.878 -0.601 . . . . 0.0 112.211 177.658 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 104' ' ' VAL . . . . . . . . . . . . . 24.1 t -59.51 -33.05 50.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.848 0.356 . . . . 0.0 110.15 179.01 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -49.37 -46.43 47.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.262 -0.881 . . . . 0.0 110.762 177.012 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 44.7 m -75.39 -37.95 60.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.514 -177.54 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 22.5 m -59.58 -34.78 73.14 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-O 121.364 0.602 . . . . 0.0 110.623 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 108' ' ' LEU . . . . . 0.499 HD21 HG21 ' A' ' 39' ' ' VAL . 4.6 mt -64.54 -22.87 67.09 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.457 -0.792 . . . . 0.0 111.66 179.43 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 109' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -72.01 -24.17 61.52 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.226 0.536 . . . . 0.0 109.852 177.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 110' ' ' VAL . . . . . . . . . . . . . 25.0 t -85.05 -40.08 14.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.893 -177.287 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 111' ' ' VAL . . . . . 0.464 HG12 ' O ' ' B' ' 108' ' ' LEU . 10.0 p -61.55 -33.53 57.56 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.316 0 CA-C-O 121.0 0.428 . . . . 0.0 110.709 -178.167 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 112' ' ' GLN . . . . . 0.494 ' HG3' ' O ' ' B' ' 108' ' ' LEU . 24.5 mt-30 -66.29 -30.52 70.96 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-O 121.514 0.673 . . . . 0.0 110.283 -179.309 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 113' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -74.54 -27.37 60.49 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 114.741 -1.118 . . . . 0.0 110.894 -173.825 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 4.3 m -87.39 -41.64 13.44 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.488 -0.778 . . . . 0.0 111.727 -173.022 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 115' ' ' VAL . . . . . 0.658 HG11 HD22 ' A' ' 81' ' ' LEU . 14.9 p -107.77 -21.33 5.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 120.87 0.366 . . . . 0.0 111.7 -171.699 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 116' ' ' GLY . . . . . . . . . . . . . . . -62.32 -17.32 56.1 Favored Glycine 0 CA--C 1.519 0.311 0 CA-C-N 116.283 -0.417 . . . . 0.0 113.466 -175.285 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -92.14 -0.47 57.44 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.769 0.318 . . . . 0.0 111.356 -179.38 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 118' ' ' TYR . . . . . . . . . . . . . 72.8 m-85 -113.86 -30.13 6.84 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.957 178.356 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 119' ' ' VAL . . . . . 0.448 ' O ' ' HB3' ' A' ' 22' ' ' SER . 28.0 m -88.18 -5.32 10.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.714 -179.792 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.919 0 CA-C-O 118.636 -1.091 . . . . 0.0 111.886 -179.202 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 16.0 m . . . . . 0 N--CA 1.447 -0.584 0 CA-C-O 120.751 0.31 . . . . 0.0 110.591 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -148.04 123.48 10.35 Favored 'General case' 0 N--CA 1.449 -0.489 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 179.789 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -80.86 -21.98 40.26 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.64 -175.678 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.01 -30.86 67.38 Favored Glycine 0 C--N 1.329 0.152 0 C-N-CA 121.255 -0.498 . . . . 0.0 112.591 -178.745 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.545 ' HB1' ' HB2' ' A' ' 78' ' ' GLN . . . -71.28 -16.15 62.46 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.93 0.395 . . . . 0.0 110.892 179.098 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.43 HG22 ' CD1' ' A' ' 81' ' ' LEU . 3.3 t -95.05 -41.41 11.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.002 -174.612 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 13.8 m120 -68.25 -17.86 64.4 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-O 121.222 0.534 . . . . 0.0 110.692 -177.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 79.1 ttt180 -78.78 -9.03 59.3 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.161 -177.384 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.676 ' HB3' HD12 ' B' ' 108' ' ' LEU . 54.3 mt -77.11 -24.38 51.73 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.954 -173.648 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 16.6 p -77.85 0.72 22.84 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.096 0.474 . . . . 0.0 110.855 -178.251 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 35.9 t -87.67 166.68 14.49 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.747 176.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.08 -16.21 63.74 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.188 -179.181 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -55.38 -58.01 9.49 Favored 'General case' 0 CA--C 1.519 -0.237 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.892 179.344 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.617 ' O ' HG23 ' A' ' 39' ' ' VAL . . . -61.27 -54.62 41.73 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.028 -179.208 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -54.41 -28.94 47.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.736 -176.365 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 71.3 m -75.35 -18.37 60.0 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 112.332 0.493 . . . . 0.0 112.332 178.662 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.586 ' HD2' ' OE1' ' A' ' 82' ' ' GLU . 62.1 mtt180 -104.85 -47.31 4.06 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.441 0.638 . . . . 0.0 109.87 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.617 HG23 ' O ' ' A' ' 35' ' ' ALA . 42.9 t -55.6 -51.31 59.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 114.769 -1.105 . . . . 0.0 111.152 -178.8 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.9 m -70.76 -9.83 58.18 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.379 -177.247 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 46.1 t -91.11 -10.62 41.28 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.0 0.429 . . . . 0.0 110.221 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 41.0 m-80 -120.83 -1.0 10.01 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.345 -176.142 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.488 HG13 ' N ' ' A' ' 44' ' ' ALA . 4.1 pt -59.59 -40.28 81.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.97 0.414 . . . . 0.0 110.949 177.576 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.488 ' N ' HG13 ' A' ' 43' ' ' ILE . . . -78.26 -12.85 60.03 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.117 -177.167 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -81.31 -52.02 7.75 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.251 0.548 . . . . 0.0 110.313 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 32.9 mt -66.45 -32.71 59.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.299 -179.636 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.773 ' HB1' HD13 ' B' ' 96' ' ' ILE . . . -65.68 -18.84 65.62 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.254 178.542 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 42.0 t -98.99 -47.04 5.39 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.058 -177.89 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -90.2 -22.57 34.75 Favored Glycine 0 CA--C 1.519 0.32 0 C-N-CA 120.679 -0.772 . . . . 0.0 113.36 -176.245 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 73.24 -77.96 0.83 Allowed Glycine 0 N--CA 1.45 -0.42 0 N-CA-C 111.597 -0.601 . . . . 0.0 111.597 -178.368 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -114.84 -26.57 7.75 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-O 121.189 0.519 . . . . 0.0 110.295 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 16.3 m -71.66 -11.67 60.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.6 -178.656 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -88.1 -18.32 29.1 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.741 -179.257 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.467 HD11 HG11 ' B' ' 88' ' ' VAL . 32.7 mt -54.8 -56.51 26.63 Favored Pre-proline 0 C--N 1.327 -0.389 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.947 -177.918 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.46 ' HD2' ' N ' ' A' ' 54' ' ' LEU . 19.2 Cg_endo -60.99 -21.71 72.3 Favored 'Trans proline' 0 C--N 1.352 0.751 0 C-N-CA 122.104 1.869 . . . . 0.0 112.544 -178.629 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 19.3 m -87.39 -45.3 10.67 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.921 0.391 . . . . 0.0 110.797 179.598 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 73.2 t -75.55 -42.68 42.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.499 -172.057 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.523 HG12 HD22 ' A' ' 83' ' ' LEU . 60.7 mt -58.45 -40.79 79.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.384 177.768 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 8.6 t -70.19 -36.7 74.8 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.175 -178.321 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -59.44 -51.52 69.55 Favored 'General case' 0 CA--C 1.52 -0.209 0 CA-C-O 121.397 0.618 . . . . 0.0 110.334 177.477 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.466 ' O ' HG23 ' A' ' 65' ' ' VAL . 52.1 mt -72.08 -43.49 66.87 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 115.199 -0.909 . . . . 0.0 111.293 -176.384 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.442 ' O ' HG23 ' A' ' 66' ' ' VAL . 51.5 t80 -54.65 -52.73 61.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.792 -178.909 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 33.5 t -58.94 -33.83 71.05 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.565 179.731 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -70.28 -38.58 71.45 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.983 -0.627 . . . . 0.0 112.091 -179.112 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.749 HG12 HG11 ' A' ' 70' ' ' VAL . 46.5 t -74.34 -45.12 47.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-O 120.732 0.301 . . . . 0.0 110.845 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.442 HG23 ' O ' ' A' ' 62' ' ' TYR . 86.2 t -59.63 -37.37 70.37 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.309 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.159 -178.709 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.5 -16.13 53.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.697 -179.754 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 16.9 t -77.51 -19.82 55.24 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.841 0.353 . . . . 0.0 110.883 -179.339 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 102.13 33.92 4.44 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.415 -178.556 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.749 HG11 HG12 ' A' ' 65' ' ' VAL . 14.9 p -97.79 159.83 3.14 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 N-CA-C 110.065 -0.346 . . . . 0.0 110.065 179.387 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 40.1 t -68.52 157.5 35.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.526 0.203 . . . . 0.0 110.528 178.217 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 13.0 m -56.39 -53.73 53.94 Favored 'General case' 0 CA--C 1.532 0.275 0 N-CA-C 112.29 0.478 . . . . 0.0 112.29 -174.18 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 24.3 t-20 -75.86 -35.5 59.89 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.624 -0.43 . . . . 0.0 110.89 -176.036 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -63.47 -31.96 73.27 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.225 0.536 . . . . 0.0 109.582 177.534 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.628 ' HB2' HG13 ' A' ' 70' ' ' VAL . . . -66.36 -45.31 80.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.62 174.093 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.424 HD23 ' HB3' ' A' ' 118' ' ' TYR . 2.9 tm? -53.56 -46.73 70.37 Favored 'General case' 0 CA--C 1.519 -0.234 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.76 177.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.772 ' O ' ' HG ' ' A' ' 81' ' ' LEU . 38.4 mm -60.15 -58.56 6.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.018 178.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' GLN . . . . . 0.545 ' HB2' ' HB1' ' A' ' 26' ' ' ALA . 51.2 tt0 -57.63 -48.69 78.75 Favored 'General case' 0 N--CA 1.461 0.094 0 CA-C-O 120.773 0.32 . . . . 0.0 111.355 -177.884 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.04 -33.02 72.64 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.234 -178.536 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.549 ' O ' HD23 ' A' ' 84' ' ' LEU . 6.3 mt -71.88 -39.83 69.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.863 0.363 . . . . 0.0 110.501 175.149 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.772 ' HG ' ' O ' ' A' ' 77' ' ' ILE . 48.6 mt -63.72 -36.66 84.58 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.019 0.438 . . . . 0.0 110.512 178.576 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.586 ' OE1' ' HD2' ' A' ' 38' ' ' ARG . 50.8 mt-10 -74.53 -13.22 60.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.764 175.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.523 HD22 HG12 ' A' ' 58' ' ' ILE . 23.3 tp -88.31 -44.09 11.06 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.052 0.453 . . . . 0.0 110.559 174.784 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.565 HD21 HD21 ' B' ' 84' ' ' LEU . 4.5 mm? -67.13 -2.84 6.19 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.569 -0.742 . . . . 0.0 111.894 -176.235 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.2 p -101.77 -28.34 12.51 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.029 177.729 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -72.64 -47.3 48.74 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.468 0.652 . . . . 0.0 110.585 -177.501 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.464 HD12 ' N ' ' A' ' 88' ' ' VAL . 1.0 OUTLIER -77.34 -17.13 58.52 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.267 -0.879 . . . . 0.0 112.695 -172.642 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.464 ' N ' HD12 ' A' ' 87' ' ' LEU . 16.9 m -90.5 -26.47 5.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 C-N-CA 120.479 -0.488 . . . . 0.0 110.711 177.606 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 45.7 t60 -68.55 -36.01 78.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.112 179.239 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 25.0 m -65.02 -26.75 40.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.17 -176.466 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.615 ' HA ' ' HB3' ' A' ' 94' ' ' ALA . 3.2 mm? -65.69 -23.9 66.88 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 120.659 0.266 . . . . 0.0 111.344 -179.278 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 32.3 t -61.28 -31.72 71.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.266 0.555 . . . . 0.0 110.071 178.45 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' SER . . . . . 0.584 ' HB2' HG12 ' B' ' 99' ' ' VAL . 49.4 m -106.31 -23.82 12.45 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.796 -179.119 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.615 ' HB3' ' HA ' ' A' ' 91' ' ' LEU . . . -74.55 103.96 5.07 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-N 115.56 -0.745 . . . . 0.0 111.243 -178.791 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 4.5 p -77.0 86.73 3.52 Favored 'General case' 0 N--CA 1.419 -1.983 0 CA-C-N 115.265 -0.88 . . . . 0.0 110.452 176.757 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.759 HD13 ' HB1' ' B' ' 47' ' ' ALA . 21.0 tt -70.33 148.15 11.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.912 -179.671 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -97.41 -100.58 2.05 Favored Glycine 0 N--CA 1.447 -0.593 0 C-N-CA 120.833 -0.699 . . . . 0.0 111.879 178.501 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -130.62 125.69 34.73 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.873 -0.417 . . . . 0.0 109.873 179.223 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.52 ' CG1' HD11 ' A' ' 96' ' ' ILE . 4.7 m -106.81 132.17 54.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-O 121.054 0.455 . . . . 0.0 111.233 -178.782 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 21.2 m -87.53 148.36 24.94 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.455 178.777 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 54.4 m -85.0 24.37 1.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.173 0.511 . . . . 0.0 110.651 178.821 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 60.1 t -117.85 131.42 70.63 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.469 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.918 -176.608 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 103.22 -10.53 54.73 Favored Glycine 0 N--CA 1.45 -0.414 0 CA-C-N 115.871 -0.604 . . . . 0.0 112.624 177.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.404 ' O ' HD12 ' A' ' 108' ' ' LEU . 22.0 t -57.71 -34.67 48.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 176.622 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -48.9 -48.23 42.62 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 114.888 -1.051 . . . . 0.0 111.009 175.296 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 22.2 m -81.1 -28.05 35.37 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.327 -0.851 . . . . 0.0 111.312 -175.874 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 28.4 m -62.75 -36.33 82.7 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.158 0.504 . . . . 0.0 110.083 176.093 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.562 ' O ' ' HG3' ' A' ' 112' ' ' GLN . 2.3 mt -61.94 -25.33 67.53 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.541 -0.754 . . . . 0.0 111.531 178.489 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -69.08 -25.53 64.48 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.192 0.52 . . . . 0.0 110.26 178.118 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 41.6 t -85.81 -38.67 13.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.109 -176.156 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.509 HG12 ' O ' ' A' ' 108' ' ' LEU . 8.0 p -62.97 -26.03 39.97 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.396 0 CA-C-O 121.399 0.619 . . . . 0.0 110.651 -177.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 112' ' ' GLN . . . . . 0.562 ' HG3' ' O ' ' A' ' 108' ' ' LEU . 24.6 mt-30 -70.53 -21.13 62.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.103 -178.622 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -84.18 -32.78 24.4 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.531 -173.163 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 114' ' ' SER . . . . . 0.403 ' HB2' HD12 ' A' ' 58' ' ' ILE . 16.8 p -80.58 -46.2 16.11 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.618 -0.719 . . . . 0.0 112.084 -172.456 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 10.5 p -105.69 -18.07 7.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-O 120.96 0.409 . . . . 0.0 111.289 -172.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -56.11 -27.51 51.96 Favored Glycine 0 CA--C 1.519 0.333 0 CA-C-N 116.121 -0.491 . . . . 0.0 113.117 -179.792 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -88.37 4.95 44.37 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 111.756 0.28 . . . . 0.0 111.756 -178.432 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 118' ' ' TYR . . . . . 0.424 ' HB3' HD23 ' A' ' 76' ' ' LEU . 65.2 m-85 -117.32 -27.8 6.32 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.259 0.552 . . . . 0.0 110.085 177.417 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.435 ' O ' ' HB3' ' B' ' 22' ' ' SER . 26.8 m . . . . . 0 C--N 1.327 -0.377 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.256 173.375 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 22' ' ' SER . . . . . 0.435 ' HB3' ' O ' ' A' ' 119' ' ' VAL . 10.8 m . . . . . 0 N--CA 1.449 -0.524 0 CA-C-O 120.869 0.366 . . . . 0.0 110.998 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 23' ' ' TYR . . . . . 0.566 ' CE1' ' HA ' ' B' ' 74' ' ' GLU . 0.1 OUTLIER -148.37 127.38 12.78 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.881 -0.599 . . . . 0.0 109.619 179.25 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -88.27 -19.91 26.16 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 112.279 0.474 . . . . 0.0 112.279 -174.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.41 -30.81 78.88 Favored Glycine 0 CA--C 1.51 -0.229 0 C-N-CA 121.087 -0.578 . . . . 0.0 112.069 -179.554 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 26' ' ' ALA . . . . . 0.486 ' HB1' ' HB2' ' B' ' 78' ' ' GLN . . . -66.79 -20.37 65.93 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.274 0.559 . . . . 0.0 110.334 176.911 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 27' ' ' VAL . . . . . 0.41 ' CG1' ' HA ' ' A' ' 112' ' ' GLN . 2.3 t -89.92 -44.73 15.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.302 -0.863 . . . . 0.0 109.843 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 62.3 m-20 -66.97 -26.89 67.04 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.658 -176.307 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 78.1 ttt180 -73.88 -9.17 58.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.626 -0.716 . . . . 0.0 111.087 -178.787 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 30' ' ' LEU . . . . . 0.726 HD11 ' HB3' ' B' ' 81' ' ' LEU . 79.1 mt -69.74 -21.95 63.41 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.029 0.443 . . . . 0.0 111.047 -178.865 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 61.0 p -75.78 -9.89 58.98 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.618 -179.658 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 69.1 m -78.19 152.28 32.77 Favored 'General case' 0 N--CA 1.442 -0.864 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.879 178.119 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.33 -19.48 55.5 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.901 -0.591 . . . . 0.0 111.149 178.76 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -51.64 -57.14 10.01 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.54 177.837 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 35' ' ' ALA . . . . . 0.639 ' O ' HG23 ' B' ' 39' ' ' VAL . . . -61.31 -54.93 37.61 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.939 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.7 -35.42 31.08 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.958 -175.502 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 29.9 m -73.66 -17.12 61.18 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.965 -177.278 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 38' ' ' ARG . . . . . 0.429 ' HD2' ' OE1' ' B' ' 82' ' ' GLU . 57.2 mtt180 -100.07 -52.51 3.39 Favored 'General case' 0 CA--C 1.514 -0.438 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 178.487 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 39' ' ' VAL . . . . . 0.639 HG23 ' O ' ' B' ' 35' ' ' ALA . 21.5 t -56.7 -37.79 54.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 114.25 -1.341 . . . . 0.0 111.853 -174.814 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 78.0 p -74.38 -8.47 56.36 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-O 120.854 0.359 . . . . 0.0 111.41 -178.824 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 19.0 t -98.61 -6.09 30.59 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.49 0.662 . . . . 0.0 109.413 177.543 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 14.7 m120 -102.86 -25.57 13.45 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.256 -0.884 . . . . 0.0 109.824 -176.319 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 43' ' ' ILE . . . . . 0.545 HG13 ' N ' ' B' ' 44' ' ' ALA . 7.1 pt -53.7 -44.95 60.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 114.98 -1.009 . . . . 0.0 112.367 -175.667 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 44' ' ' ALA . . . . . 0.545 ' N ' HG13 ' B' ' 43' ' ' ILE . . . -78.01 -14.87 59.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.971 0.415 . . . . 0.0 110.983 -174.255 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -83.28 -49.66 9.18 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.224 0.535 . . . . 0.0 110.103 -179.608 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 46' ' ' ILE . . . . . 0.405 HG21 ' HB3' ' B' ' 87' ' ' LEU . 50.1 mt -66.58 -34.66 71.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.303 179.332 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 47' ' ' ALA . . . . . 0.759 ' HB1' HD13 ' A' ' 96' ' ' ILE . . . -63.63 -25.81 68.39 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.564 179.56 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 23.0 t -91.32 -36.52 13.8 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.456 -176.102 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -104.13 -19.26 11.88 Favored Glycine 0 CA--C 1.519 0.31 0 C-N-CA 120.461 -0.876 . . . . 0.0 113.628 -174.579 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 75.47 -79.18 1.09 Allowed Glycine 0 N--CA 1.449 -0.494 0 N-CA-C 111.571 -0.612 . . . . 0.0 111.571 179.607 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -117.46 -17.92 9.93 Favored 'General case' 0 C--N 1.314 -0.937 0 CA-C-O 121.19 0.519 . . . . 0.0 110.185 179.554 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 11.2 t -77.37 -6.65 54.1 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.808 -177.74 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -96.67 -18.37 19.73 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.846 179.817 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 54' ' ' LEU . . . . . 0.453 HD11 HG11 ' A' ' 88' ' ' VAL . 54.9 mt -53.16 -56.79 20.38 Favored Pre-proline 0 CA--C 1.535 0.398 0 CA-C-N 115.844 -0.616 . . . . 0.0 112.137 -176.513 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 55' ' ' PRO . . . . . 0.439 ' HD2' ' N ' ' B' ' 54' ' ' LEU . 27.8 Cg_endo -63.8 -11.09 25.05 Favored 'Trans proline' 0 C--N 1.354 0.846 0 C-N-CA 122.277 1.985 . . . . 0.0 113.044 -176.41 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 70.4 m -100.14 -41.84 6.96 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.789 0.328 . . . . 0.0 111.12 177.829 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 90.5 t -76.67 -39.66 32.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.33 -173.476 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 58' ' ' ILE . . . . . 0.509 HG12 ' HG ' ' B' ' 83' ' ' LEU . 69.6 mt -60.49 -38.89 79.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 115.861 -0.609 . . . . 0.0 109.954 176.639 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 9.5 t -69.09 -34.97 75.95 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.058 -179.108 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 96.2 m-20 -63.32 -50.29 70.63 Favored 'General case' 0 CA--C 1.52 -0.182 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.682 177.391 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 61' ' ' ILE . . . . . 0.448 ' O ' HG23 ' B' ' 65' ' ' VAL . 52.1 mt -71.56 -46.34 63.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.646 -176.381 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 62' ' ' TYR . . . . . 0.461 ' O ' HG23 ' B' ' 66' ' ' VAL . 58.7 t80 -55.44 -54.0 49.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.641 -0.254 . . . . 0.0 110.908 -176.523 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 47.3 m -58.13 -33.6 69.33 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.825 178.87 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -67.97 -40.67 88.8 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.914 -0.66 . . . . 0.0 111.88 179.37 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 65' ' ' VAL . . . . . 0.634 HG12 HG11 ' B' ' 70' ' ' VAL . 59.7 t -72.59 -43.35 62.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-O 120.75 0.31 . . . . 0.0 111.058 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 66' ' ' VAL . . . . . 0.461 HG23 ' O ' ' B' ' 62' ' ' TYR . 89.7 t -61.67 -42.66 95.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.53 -0.304 . . . . 0.0 111.201 -178.628 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -71.13 -6.93 43.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.562 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 68' ' ' SER . . . . . 0.464 ' HB3' ' O ' ' B' ' 65' ' ' VAL . 38.5 t -81.33 -27.44 34.98 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.959 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 108.82 28.96 4.28 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.357 -0.925 . . . . 0.0 112.347 -176.745 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 70' ' ' VAL . . . . . 0.634 HG11 HG12 ' B' ' 65' ' ' VAL . 13.3 p -80.06 159.95 4.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 176.34 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 32.9 t -67.34 151.39 47.55 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.101 -0.703 . . . . 0.0 109.101 174.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 12.5 p -54.59 -65.28 0.6 Allowed 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 113.144 0.794 . . . . 0.0 113.144 -169.642 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -73.97 -19.77 60.56 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.129 0.49 . . . . 0.0 110.197 -176.284 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 74' ' ' GLU . . . . . 0.566 ' HA ' ' CE1' ' B' ' 23' ' ' TYR . 43.9 tt0 -70.83 -29.46 65.61 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.549 -0.751 . . . . 0.0 110.37 178.438 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -56.08 -39.54 72.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.448 -0.796 . . . . 0.0 111.293 178.602 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 76' ' ' LEU . . . . . 0.5 HD23 ' HB3' ' B' ' 118' ' ' TYR . 2.6 tm? -56.8 -45.77 82.0 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.007 179.414 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 77' ' ' ILE . . . . . 0.686 ' O ' ' HG ' ' B' ' 81' ' ' LEU . 43.4 mm -63.5 -58.03 9.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.013 -177.017 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 78' ' ' GLN . . . . . 0.486 ' HB2' ' HB1' ' B' ' 26' ' ' ALA . 24.8 tt0 -58.06 -44.88 87.72 Favored 'General case' 0 N--CA 1.465 0.311 0 C-N-CA 121.069 -0.252 . . . . 0.0 111.299 -179.478 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -59.77 -40.09 87.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.966 -179.68 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 80' ' ' LEU . . . . . 0.517 ' O ' HD23 ' B' ' 84' ' ' LEU . 5.7 mt -72.58 -40.52 66.53 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.093 178.721 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 81' ' ' LEU . . . . . 0.726 ' HB3' HD11 ' B' ' 30' ' ' LEU . 92.9 mt -60.04 -41.86 93.19 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 120.876 0.369 . . . . 0.0 110.779 179.709 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 82' ' ' GLU . . . . . 0.429 ' OE1' ' HD2' ' B' ' 38' ' ' ARG . 55.2 mt-10 -67.69 -31.62 71.72 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.686 175.645 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 83' ' ' LEU . . . . . 0.509 ' HG ' HG12 ' B' ' 58' ' ' ILE . 3.5 tm? -68.99 -44.2 73.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.08 0.467 . . . . 0.0 109.801 177.798 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 84' ' ' LEU . . . . . 0.565 HD21 HD21 ' A' ' 84' ' ' LEU . 4.5 mm? -66.81 -10.64 49.9 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.65 -0.705 . . . . 0.0 111.833 -178.857 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 51.0 m -92.91 -29.41 15.92 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.974 0.416 . . . . 0.0 110.911 -177.032 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -72.16 -44.48 63.0 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.249 0.547 . . . . 0.0 110.843 -177.417 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 87' ' ' LEU . . . . . 0.469 HD12 ' N ' ' B' ' 88' ' ' VAL . 1.3 pp -78.03 -19.36 54.5 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.556 -0.747 . . . . 0.0 112.953 -171.809 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 88' ' ' VAL . . . . . 0.469 ' N ' HD12 ' B' ' 87' ' ' LEU . 16.3 m -89.49 -21.36 6.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 C-N-CA 120.097 -0.641 . . . . 0.0 110.498 176.548 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 89' ' ' HIS . . . . . . . . . . . . . 68.3 t60 -72.24 -34.25 68.14 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.251 178.238 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 90' ' ' VAL . . . . . 0.452 HG22 ' O ' ' B' ' 87' ' ' LEU . 22.8 m -66.27 -26.61 38.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.345 -175.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 91' ' ' LEU . . . . . 0.612 ' HA ' ' HB3' ' B' ' 94' ' ' ALA . 3.5 mm? -66.81 -20.57 65.96 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.908 0.385 . . . . 0.0 110.907 179.624 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 25.9 t -64.49 -24.83 67.75 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.494 179.458 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 93' ' ' SER . . . . . 0.5 ' HB2' HG12 ' A' ' 99' ' ' VAL . 18.0 m -123.48 13.94 9.49 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-O 121.169 0.509 . . . . 0.0 110.662 178.625 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 94' ' ' ALA . . . . . 0.612 ' HB3' ' HA ' ' B' ' 91' ' ' LEU . . . -110.55 95.2 5.41 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.965 -179.19 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 13.3 m -71.3 90.45 0.93 Allowed 'General case' 0 N--CA 1.43 -1.449 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.216 175.416 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 96' ' ' ILE . . . . . 0.773 HD13 ' HB1' ' A' ' 47' ' ' ALA . 19.0 tt -66.78 142.29 16.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.875 -178.244 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 97' ' ' GLY . . . . . . . . . . . . . . . -89.51 -103.89 1.1 Allowed Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 121.027 -0.606 . . . . 0.0 112.29 178.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 98' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -128.22 113.48 15.74 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.888 0.375 . . . . 0.0 110.997 -178.006 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 99' ' ' VAL . . . . . 0.584 HG12 ' HB2' ' A' ' 93' ' ' SER . 9.9 m -98.01 154.45 3.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.384 176.441 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 100' ' ' SER . . . . . . . . . . . . . 29.5 m -129.17 151.12 50.19 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 116.261 -0.427 . . . . 0.0 109.898 179.816 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 16.1 p -83.89 22.03 1.21 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.024 0.44 . . . . 0.0 111.1 -178.677 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 47.6 t -109.09 113.07 43.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.544 -176.789 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . 112.73 -9.38 25.77 Favored Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.465 -0.874 . . . . 0.0 112.898 177.544 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 104' ' ' VAL . . . . . . . . . . . . . 48.3 t -58.97 -33.07 48.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.59 0.195 . . . . 0.0 110.651 179.325 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -48.52 -40.87 28.31 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-O 121.457 0.646 . . . . 0.0 110.324 178.786 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 22.7 m -72.96 -30.51 63.89 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 115.67 -0.695 . . . . 0.0 111.452 -179.436 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 21.9 m -70.27 -30.59 67.66 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-O 120.914 0.388 . . . . 0.0 110.299 -176.503 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 108' ' ' LEU . . . . . 0.676 HD12 ' HB3' ' A' ' 30' ' ' LEU . 4.2 mm? -57.45 -34.08 68.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.767 176.089 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 109' ' ' ASN . . . . . . . . . . . . . 14.7 m-80 -68.69 -23.43 64.38 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.185 -178.692 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 110' ' ' VAL . . . . . . . . . . . . . 38.7 t -84.81 -39.39 14.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.587 -178.303 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 111' ' ' VAL . . . . . 0.57 HG12 ' O ' ' B' ' 108' ' ' LEU . 7.7 p -64.0 -30.06 49.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 121.132 0.491 . . . . 0.0 110.274 -179.086 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 112' ' ' GLN . . . . . 0.523 ' HG3' ' O ' ' B' ' 108' ' ' LEU . 24.5 mt-30 -68.02 -24.06 65.07 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.686 178.894 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 113' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -82.32 -35.98 27.4 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.321 -0.854 . . . . 0.0 110.754 -175.252 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 12.1 m -78.85 -44.62 22.53 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.471 -0.786 . . . . 0.0 111.814 -172.372 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 115' ' ' VAL . . . . . 0.463 HG12 ' O ' ' B' ' 111' ' ' VAL . 10.4 p -108.39 -16.92 8.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 120.893 0.378 . . . . 0.0 111.374 -173.876 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 116' ' ' GLY . . . . . . . . . . . . . . . -62.36 -20.23 60.76 Favored Glycine 0 C--O 1.228 -0.251 0 C-N-CA 121.196 -0.526 . . . . 0.0 113.005 -178.251 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -93.92 7.38 45.21 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.675 0.274 . . . . 0.0 111.304 -179.73 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 118' ' ' TYR . . . . . 0.5 ' HB3' HD23 ' B' ' 76' ' ' LEU . 82.4 m-85 -118.42 -26.78 6.14 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.152 0.501 . . . . 0.0 110.271 176.428 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 119' ' ' VAL . . . . . 0.411 HG21 HG21 ' A' ' 27' ' ' VAL . 34.3 m -91.08 -1.98 10.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.831 174.846 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.009 0 CA-C-O 118.402 -1.221 . . . . 0.0 111.804 178.546 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 22.9 m . . . . . 0 C--O 1.234 0.287 0 CA-C-O 120.676 0.274 . . . . 0.0 111.058 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.413 ' OH ' ' HB3' ' A' ' 73' ' ' ASN . 0.2 OUTLIER -153.14 124.38 7.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.413 -177.544 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -86.96 -19.79 28.25 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.813 0.34 . . . . 0.0 111.002 176.786 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.18 -31.94 78.74 Favored Glycine 0 CA--C 1.511 -0.158 0 C-N-CA 121.176 -0.535 . . . . 0.0 112.306 -178.325 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.491 ' HB1' ' HB2' ' A' ' 78' ' ' GLN . . . -67.9 -20.69 65.13 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.209 0.528 . . . . 0.0 110.406 177.777 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.485 ' CG1' ' HA ' ' B' ' 112' ' ' GLN . 3.5 t -89.43 -42.67 14.55 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.486 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.332 -177.094 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 24.8 m120 -63.96 -31.76 73.06 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.211 0.529 . . . . 0.0 110.286 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 -65.85 -18.85 65.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.475 -178.477 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.671 HD11 ' HB3' ' A' ' 81' ' ' LEU . 79.0 mt -63.24 -27.98 69.71 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.94 0.4 . . . . 0.0 111.801 -176.652 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 63.1 p -73.12 -6.81 48.15 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.0 -178.265 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 49.9 m -81.78 158.14 24.23 Favored 'General case' 0 N--CA 1.442 -0.847 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 177.113 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.25 -17.77 63.91 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 111.767 0.284 . . . . 0.0 111.767 -175.787 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -52.81 -58.11 7.99 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.963 179.127 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.646 ' O ' HG23 ' A' ' 39' ' ' VAL . . . -57.59 -57.72 11.46 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.729 179.595 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.13 -37.23 33.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.786 -176.418 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 22.1 t -70.07 -23.2 63.03 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.797 -177.759 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.446 ' HD2' ' OE1' ' A' ' 82' ' ' GLU . 61.7 mtt180 -96.2 -49.51 5.2 Favored 'General case' 0 CA--C 1.514 -0.434 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 -179.586 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.646 HG23 ' O ' ' A' ' 35' ' ' ALA . 39.0 t -57.78 -37.18 58.36 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-N 114.247 -1.342 . . . . 0.0 111.562 -176.516 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 69.4 p -73.93 -4.7 36.72 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-O 120.735 0.302 . . . . 0.0 111.633 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 19.6 t -100.66 -11.58 19.88 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.63 0.729 . . . . 0.0 109.499 176.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ASN . . . . . 0.444 ' HB3' HG11 ' A' ' 57' ' ' VAL . 11.5 m120 -96.43 -25.7 15.6 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.402 -0.817 . . . . 0.0 109.748 -175.831 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.559 HG13 ' N ' ' A' ' 44' ' ' ALA . 5.2 pt -57.11 -40.08 70.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 114.91 -1.041 . . . . 0.0 111.722 -176.802 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.559 ' N ' HG13 ' A' ' 43' ' ' ILE . . . -80.89 -1.56 43.91 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.798 0.332 . . . . 0.0 111.562 -175.379 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -104.01 -50.59 3.34 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.07 0.462 . . . . 0.0 110.525 178.789 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.494 HG21 ' HB3' ' A' ' 87' ' ' LEU . 50.3 mt -65.81 -33.85 66.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.698 -177.813 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.437 ' HB1' HD13 ' B' ' 96' ' ' ILE . . . -63.03 -23.43 67.45 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.979 -178.879 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 59.3 m -91.05 -33.39 15.52 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 112.367 0.506 . . . . 0.0 112.367 -175.48 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -112.47 -20.52 6.54 Favored Glycine 0 CA--C 1.517 0.187 0 C-N-CA 120.124 -1.036 . . . . 0.0 113.486 -175.097 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 76.21 -83.1 0.98 Allowed Glycine 0 N--CA 1.445 -0.766 0 N-CA-C 111.153 -0.779 . . . . 0.0 111.153 -178.037 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -106.95 -21.44 13.01 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-O 121.048 0.451 . . . . 0.0 110.568 -179.168 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 39.7 m -72.22 -9.48 58.51 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.136 -177.778 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.422 ' HB3' ' HA ' ' A' ' 46' ' ' ILE . . . -104.62 -9.7 18.07 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.081 -178.418 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.446 HD11 HG11 ' B' ' 88' ' ' VAL . 47.4 mt -57.74 -58.67 16.76 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.631 -176.155 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.413 ' HD2' ' N ' ' A' ' 54' ' ' LEU . 19.1 Cg_endo -61.28 -29.99 87.15 Favored 'Trans proline' 0 C--N 1.351 0.683 0 C-N-CA 121.803 1.669 . . . . 0.0 112.391 -177.787 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 13.6 m -76.57 -32.68 58.3 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.124 0.488 . . . . 0.0 111.061 -177.868 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.444 HG11 ' HB3' ' A' ' 42' ' ' ASN . 76.0 t -90.9 -39.83 12.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.782 -175.139 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.527 HG12 ' HG ' ' A' ' 83' ' ' LEU . 66.6 mt -59.37 -37.74 71.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.892 0.377 . . . . 0.0 110.33 177.327 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 47.1 t -62.93 -41.31 99.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.946 179.096 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 79.9 m-20 -62.37 -52.45 63.57 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.496 -0.775 . . . . 0.0 111.238 179.501 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.414 ' O ' HG23 ' A' ' 65' ' ' VAL . 44.7 mt -65.72 -46.89 87.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.912 -0.586 . . . . 0.0 111.378 -177.74 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.42 ' O ' HG23 ' A' ' 66' ' ' VAL . 53.8 t80 -57.18 -49.52 75.72 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.733 0.301 . . . . 0.0 110.684 -177.15 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 13.3 t -62.9 -30.13 71.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.474 179.758 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -72.27 -42.49 49.79 Favored Glycine 0 N--CA 1.452 -0.294 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.825 179.052 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.705 HG12 HG11 ' A' ' 70' ' ' VAL . 85.7 t -69.18 -44.79 80.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 115.488 -0.356 . . . . 0.0 111.138 -179.442 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.42 HG23 ' O ' ' A' ' 62' ' ' TYR . 80.2 t -60.17 -41.39 86.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.204 -179.429 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.0 -18.09 59.33 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.737 -179.699 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 45.2 t -72.63 -21.73 61.06 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.104 -179.058 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 96.81 39.06 4.22 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.506 -0.854 . . . . 0.0 111.832 -176.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.705 HG11 HG12 ' A' ' 65' ' ' VAL . 14.7 p -94.99 164.51 2.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 N-CA-C 109.917 -0.401 . . . . 0.0 109.917 178.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.417 ' N ' HG22 ' A' ' 70' ' ' VAL . 31.1 t -66.85 164.96 16.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.641 0.258 . . . . 0.0 110.38 177.088 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 5.3 p -63.37 -69.32 0.28 Allowed 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.309 0.485 . . . . 0.0 112.309 -173.299 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ASN . . . . . 0.413 ' HB3' ' OH ' ' A' ' 23' ' ' TYR . 0.2 OUTLIER -69.54 -24.35 63.71 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.099 0.476 . . . . 0.0 110.286 -177.372 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -68.64 -33.17 73.55 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.128 -0.487 . . . . 0.0 109.881 178.728 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.52 ' HB2' HG13 ' A' ' 70' ' ' VAL . . . -61.93 -40.02 94.07 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.621 176.348 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.512 HD23 ' HB3' ' A' ' 118' ' ' TYR . 2.8 tm? -56.67 -50.86 70.85 Favored 'General case' 0 CA--C 1.516 -0.337 0 N-CA-C 109.473 -0.565 . . . . 0.0 109.473 177.625 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.71 ' O ' ' HG ' ' A' ' 81' ' ' LEU . 36.1 mm -60.2 -55.56 23.4 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.984 -177.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' GLN . . . . . 0.491 ' HB2' ' HB1' ' A' ' 26' ' ' ALA . 21.3 tt0 -57.32 -45.89 83.77 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 120.544 0.212 . . . . 0.0 111.176 -179.751 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -59.99 -41.28 91.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.936 0.398 . . . . 0.0 110.676 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.567 ' O ' HD23 ' A' ' 84' ' ' LEU . 3.5 mm? -67.45 -42.61 82.79 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.126 177.861 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.71 ' HG ' ' O ' ' A' ' 77' ' ' ILE . 74.5 mt -59.78 -45.48 92.15 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.81 0.338 . . . . 0.0 111.057 -179.251 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.446 ' OE1' ' HD2' ' A' ' 38' ' ' ARG . 59.7 mt-10 -64.63 -40.46 95.51 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.092 0.472 . . . . 0.0 110.579 177.409 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.527 ' HG ' HG12 ' A' ' 58' ' ' ILE . 3.5 tm? -60.9 -43.69 98.17 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.22 177.025 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.578 HD21 HD21 ' B' ' 84' ' ' LEU . 3.9 mm? -66.95 -9.36 37.62 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.706 -0.679 . . . . 0.0 112.13 -178.18 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 35.7 m -95.99 -30.91 13.33 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.002 0.429 . . . . 0.0 110.933 -178.331 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.414 ' HB2' HG13 ' A' ' 39' ' ' VAL . . . -68.67 -43.5 76.04 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.239 0.542 . . . . 0.0 111.078 -177.345 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.494 ' HB3' HG21 ' A' ' 46' ' ' ILE . 1.1 pp -80.23 -18.97 47.98 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.631 -0.713 . . . . 0.0 112.794 -171.864 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.454 ' N ' HD12 ' A' ' 87' ' ' LEU . 17.6 m -91.13 -19.72 7.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 C-N-CA 120.228 -0.589 . . . . 0.0 110.441 176.37 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 51.9 t60 -72.8 -34.44 66.9 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.046 177.933 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.479 ' HA ' HG11 ' B' ' 99' ' ' VAL . 27.5 m -65.73 -28.33 43.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 C-N-CA 120.747 -0.381 . . . . 0.0 111.215 -175.691 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.525 ' HA ' ' HB3' ' A' ' 94' ' ' ALA . 4.1 mm? -65.56 -18.69 65.51 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-O 120.722 0.296 . . . . 0.0 111.294 179.496 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 36.3 t -63.84 -25.72 68.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.826 177.752 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' SER . . . . . 0.592 ' HB2' HG12 ' B' ' 99' ' ' VAL . 66.1 m -120.75 -17.07 8.07 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.379 0.609 . . . . 0.0 110.981 -179.348 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.53 ' HA ' ' HA ' ' B' ' 96' ' ' ILE . . . -77.89 97.24 5.22 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.117 179.528 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 5.5 p -71.34 88.34 0.87 Allowed 'General case' 0 N--CA 1.427 -1.607 0 CA-C-N 115.038 -0.983 . . . . 0.0 110.612 177.438 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.701 HD13 ' HB1' ' B' ' 47' ' ' ALA . 20.1 tt -65.64 142.0 17.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-O 120.884 0.373 . . . . 0.0 111.346 -178.807 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -90.24 -84.21 1.37 Allowed Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 120.931 -0.652 . . . . 0.0 111.939 178.435 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 9.8 t30 -150.21 124.06 9.27 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.611 0.243 . . . . 0.0 110.398 178.507 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.659 HG13 HD11 ' A' ' 96' ' ' ILE . 4.4 m -103.91 147.1 10.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.975 179.047 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 34.3 m -111.36 142.13 43.99 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.42 179.12 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 50.5 m -81.8 38.88 0.53 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.256 -179.284 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 58.1 t -130.48 121.35 50.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.566 -0.288 . . . . 0.0 110.391 -178.331 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 103.75 0.12 45.73 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.528 178.029 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 45.3 t -60.32 -34.01 55.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.657 0.265 . . . . 0.0 110.359 178.392 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -50.96 -42.13 59.73 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.234 179.289 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 21.6 m -67.25 -26.42 66.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.072 -179.594 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 19.9 m -76.29 -32.9 59.03 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.057 0.456 . . . . 0.0 109.906 178.722 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.514 ' O ' HG12 ' A' ' 111' ' ' VAL . 4.4 mm? -59.46 -28.57 67.11 Favored 'General case' 0 C--O 1.224 -0.268 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.756 175.322 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -73.41 -26.74 61.1 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.868 0.366 . . . . 0.0 110.856 -179.036 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 38.9 t -84.5 -37.24 12.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.089 -176.195 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.514 HG12 ' O ' ' A' ' 108' ' ' LEU . 10.8 p -60.41 -30.17 45.86 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.28 0 CA-C-O 121.337 0.589 . . . . 0.0 110.395 -179.677 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 112' ' ' GLN . . . . . 0.501 ' HG2' HG12 ' B' ' 27' ' ' VAL . 22.9 mt-30 -66.91 -27.88 67.85 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.422 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -80.49 -34.12 36.04 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.08 -177.429 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 9.9 m -74.88 -41.82 59.05 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.128 -0.942 . . . . 0.0 112.1 -171.717 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.522 HG11 HD22 ' B' ' 81' ' ' LEU . 14.6 p -121.74 -15.57 6.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 N-CA-C 111.926 0.343 . . . . 0.0 111.926 -173.07 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -57.52 -31.59 63.52 Favored Glycine 0 C--N 1.329 0.142 0 C-N-CA 121.042 -0.599 . . . . 0.0 112.505 -178.786 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -78.38 -2.85 40.26 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 111.928 0.344 . . . . 0.0 111.928 -178.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 118' ' ' TYR . . . . . 0.512 ' HB3' HD23 ' A' ' 76' ' ' LEU . 61.2 m-85 -111.34 -28.39 8.24 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-O 120.707 0.289 . . . . 0.0 110.849 179.564 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 35.9 m . . . . . 0 C--N 1.327 -0.402 0 CA-C-O 121.226 0.536 . . . . 0.0 110.596 175.378 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 51.4 m . . . . . 0 N--CA 1.45 -0.445 0 CA-C-O 120.581 0.229 . . . . 0.0 110.678 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 23' ' ' TYR . . . . . 0.527 ' CE1' ' HA ' ' B' ' 74' ' ' GLU . 0.2 OUTLIER -150.75 123.45 8.58 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.508 -0.315 . . . . 0.0 110.548 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -81.36 -25.54 36.25 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.069 177.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.7 -28.48 71.64 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.951 -0.642 . . . . 0.0 112.694 -178.576 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 26' ' ' ALA . . . . . 0.525 ' HB1' ' HB2' ' B' ' 78' ' ' GLN . . . -71.73 -20.71 61.86 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.394 0.616 . . . . 0.0 110.336 178.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 27' ' ' VAL . . . . . 0.501 HG12 ' HG2' ' A' ' 112' ' ' GLN . 2.5 t -88.29 -38.14 11.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 115.187 -0.915 . . . . 0.0 110.172 -178.448 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 71.4 m-20 -73.5 -7.41 51.7 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.229 -174.454 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 79.5 ttt180 -96.64 -1.5 46.66 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.572 0.701 . . . . 0.0 110.404 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 30' ' ' LEU . . . . . 0.545 HD11 ' HB3' ' B' ' 81' ' ' LEU . 91.4 mt -75.86 -29.09 58.43 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.554 -176.106 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 7.6 p -77.7 8.43 4.48 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.113 0.482 . . . . 0.0 111.1 179.374 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 74.3 m -85.43 159.11 20.04 Favored 'General case' 0 N--CA 1.442 -0.861 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.385 176.192 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.9 -16.58 63.98 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.985 0.422 . . . . 0.0 110.93 -179.592 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 34' ' ' GLU . . . . . 0.401 ' O ' ' HG3' ' B' ' 38' ' ' ARG . 32.7 mt-10 -56.94 -63.67 1.13 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.455 176.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 35' ' ' ALA . . . . . 0.521 ' O ' HG23 ' B' ' 39' ' ' VAL . . . -57.45 -52.05 66.95 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.02 -178.882 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -55.86 -22.83 27.34 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.273 0.471 . . . . 0.0 112.273 -176.727 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 7.7 t -88.04 -20.49 25.7 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.679 0.276 . . . . 0.0 111.339 -179.598 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 38' ' ' ARG . . . . . 0.521 ' HD2' ' OE1' ' B' ' 82' ' ' GLU . 66.8 mtt180 -96.04 -49.39 5.29 Favored 'General case' 0 CA--C 1.514 -0.429 0 CA-C-O 121.651 0.738 . . . . 0.0 109.041 -179.424 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 39' ' ' VAL . . . . . 0.521 HG23 ' O ' ' B' ' 35' ' ' ALA . 49.0 t -58.21 -34.25 49.25 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 114.253 -1.339 . . . . 0.0 111.167 -178.239 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 50.7 p -74.42 -9.85 58.99 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.535 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 25.9 t -93.41 -16.27 24.76 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.782 0.801 . . . . 0.0 109.139 176.38 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 42' ' ' ASN . . . . . 0.423 ' OD1' HD11 ' B' ' 61' ' ' ILE . 10.7 m120 -93.06 -27.42 16.98 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 114.94 -1.027 . . . . 0.0 109.812 -174.032 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 43' ' ' ILE . . . . . 0.577 HG13 ' N ' ' B' ' 44' ' ' ALA . 4.4 pt -56.88 -37.62 55.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 115.286 -0.87 . . . . 0.0 111.219 -179.607 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 44' ' ' ALA . . . . . 0.577 ' N ' HG13 ' B' ' 43' ' ' ILE . . . -83.64 -1.51 54.11 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.981 0.419 . . . . 0.0 111.555 -176.397 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -104.81 -52.01 2.95 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.645 179.479 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 46' ' ' ILE . . . . . 0.463 HG21 ' HB3' ' B' ' 87' ' ' LEU . 44.6 mt -66.05 -33.0 60.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.781 -177.826 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 47' ' ' ALA . . . . . 0.701 ' HB1' HD13 ' A' ' 96' ' ' ILE . . . -61.69 -29.63 70.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.987 179.362 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 18.0 m -91.18 -35.35 14.58 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.798 -175.424 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -96.41 -23.29 16.91 Favored Glycine 0 CA--C 1.518 0.241 0 C-N-CA 120.486 -0.864 . . . . 0.0 113.24 -175.731 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 76.5 -75.94 1.57 Allowed Glycine 0 N--CA 1.449 -0.438 0 N-CA-C 111.559 -0.616 . . . . 0.0 111.559 -179.613 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -122.84 -27.13 4.33 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 121.011 0.434 . . . . 0.0 110.401 179.479 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 12.0 m -71.13 -10.24 59.42 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.564 -177.682 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -90.64 -15.74 29.88 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.676 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 54' ' ' LEU . . . . . 0.443 HD11 HG11 ' A' ' 88' ' ' VAL . 53.7 mt -54.9 -58.02 16.58 Favored Pre-proline 0 CA--C 1.533 0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.62 -178.441 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 55' ' ' PRO . . . . . 0.404 ' HD2' ' N ' ' B' ' 54' ' ' LEU . 20.3 Cg_endo -62.65 -24.82 75.04 Favored 'Trans proline' 0 C--N 1.353 0.766 0 C-N-CA 122.032 1.821 . . . . 0.0 112.506 -179.018 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 8.2 m -78.72 -39.31 36.76 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.228 0.537 . . . . 0.0 110.607 178.768 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 69.1 t -86.33 -40.53 14.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.151 -172.545 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 58' ' ' ILE . . . . . 0.541 HG12 HD22 ' B' ' 83' ' ' LEU . 62.3 mt -58.04 -45.37 88.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 121.074 0.464 . . . . 0.0 110.527 178.074 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 62.8 m -66.73 -23.18 66.07 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.725 -177.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 -77.85 -53.9 6.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.754 177.497 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 61' ' ' ILE . . . . . 0.423 HD11 ' OD1' ' B' ' 42' ' ' ASN . 40.4 mt -62.86 -45.35 99.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.127 -178.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 62' ' ' TYR . . . . . 0.456 ' O ' HG23 ' B' ' 66' ' ' VAL . 59.6 t80 -56.18 -49.28 74.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.6 -176.767 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 32.2 m -59.53 -33.76 71.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.45 178.406 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -66.87 -40.59 93.63 Favored Glycine 0 N--CA 1.45 -0.374 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.672 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 65' ' ' VAL . . . . . 0.668 HG12 HG11 ' B' ' 70' ' ' VAL . 44.9 t -71.95 -46.18 61.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-O 120.832 0.349 . . . . 0.0 110.966 179.673 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 66' ' ' VAL . . . . . 0.456 HG23 ' O ' ' B' ' 62' ' ' TYR . 86.7 t -59.77 -35.08 58.0 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.242 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.116 -178.415 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -70.5 -6.85 39.18 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.846 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 34.0 t -88.88 -12.68 41.11 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 111.628 0.233 . . . . 0.0 111.628 -177.794 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 94.13 32.25 7.58 Favored Glycine 0 CA--C 1.515 0.09 0 C-N-CA 120.308 -0.949 . . . . 0.0 112.029 -178.254 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 70' ' ' VAL . . . . . 0.668 HG11 HG12 ' B' ' 65' ' ' VAL . 12.6 p -85.98 162.71 2.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 C-N-CA 122.619 0.368 . . . . 0.0 110.052 179.449 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 33.4 t -70.81 156.52 39.44 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.931 -0.396 . . . . 0.0 109.931 175.496 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 10.0 p -57.23 -64.04 1.02 Allowed 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.398 0.518 . . . . 0.0 112.398 -173.226 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 73' ' ' ASN . . . . . 0.485 ' HB3' ' OH ' ' B' ' 23' ' ' TYR . 0.2 OUTLIER -71.57 -20.53 62.0 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.11 0.481 . . . . 0.0 110.217 -176.901 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 74' ' ' GLU . . . . . 0.527 ' HA ' ' CE1' ' B' ' 23' ' ' TYR . 35.2 tt0 -74.94 -32.81 61.84 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.178 179.457 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 75' ' ' ALA . . . . . 0.415 ' HB2' HG13 ' B' ' 70' ' ' VAL . . . -58.38 -38.95 78.35 Favored 'General case' 0 CA--C 1.519 -0.22 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.721 176.91 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 76' ' ' LEU . . . . . 0.525 HD23 ' HB3' ' B' ' 118' ' ' TYR . 2.3 tm? -55.86 -49.32 73.68 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.053 179.191 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 77' ' ' ILE . . . . . 0.723 ' O ' ' HG ' ' B' ' 81' ' ' LEU . 37.2 mm -64.67 -56.22 17.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.262 -175.347 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 78' ' ' GLN . . . . . 0.525 ' HB2' ' HB1' ' B' ' 26' ' ' ALA . 20.6 tt0 -56.71 -45.87 81.58 Favored 'General case' 0 N--CA 1.464 0.246 0 C-N-CA 120.98 -0.288 . . . . 0.0 110.953 -179.569 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -59.36 -43.17 92.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.945 0.402 . . . . 0.0 110.87 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 80' ' ' LEU . . . . . 0.619 ' O ' HD23 ' B' ' 84' ' ' LEU . 2.7 mm? -65.1 -42.37 94.09 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.103 177.898 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 81' ' ' LEU . . . . . 0.723 ' HG ' ' O ' ' B' ' 77' ' ' ILE . 41.5 mt -65.22 -40.46 94.12 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.692 0.282 . . . . 0.0 111.392 -176.541 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 82' ' ' GLU . . . . . 0.521 ' OE1' ' HD2' ' B' ' 38' ' ' ARG . 54.1 mt-10 -63.23 -41.9 99.16 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.956 0.408 . . . . 0.0 110.153 174.861 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 83' ' ' LEU . . . . . 0.541 HD22 HG12 ' B' ' 58' ' ' ILE . 32.0 tp -59.22 -45.29 91.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.091 0.472 . . . . 0.0 111.353 176.283 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 84' ' ' LEU . . . . . 0.619 HD23 ' O ' ' B' ' 80' ' ' LEU . 3.8 mm? -64.9 -5.9 7.14 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.463 -0.79 . . . . 0.0 112.132 -176.133 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 85' ' ' SER . . . . . 0.416 ' OG ' HD13 ' A' ' 108' ' ' LEU . 21.4 m -100.29 -25.02 14.39 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 120.871 0.367 . . . . 0.0 110.918 -179.746 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 86' ' ' ALA . . . . . 0.468 ' HB2' HG13 ' B' ' 39' ' ' VAL . . . -74.6 -47.01 34.8 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.65 0.738 . . . . 0.0 110.629 -176.635 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 87' ' ' LEU . . . . . 0.476 HD12 HG13 ' B' ' 88' ' ' VAL . 0.9 OUTLIER -77.93 -14.87 59.39 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 114.979 -1.009 . . . . 0.0 112.775 -172.061 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 88' ' ' VAL . . . . . 0.476 HG13 HD12 ' B' ' 87' ' ' LEU . 19.8 m -96.12 -19.01 6.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 121.009 0.433 . . . . 0.0 110.642 176.528 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 89' ' ' HIS . . . . . . . . . . . . . 60.9 t60 -74.1 -34.26 63.9 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.825 177.735 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 90' ' ' VAL . . . . . 0.439 ' HA ' HG11 ' A' ' 99' ' ' VAL . 34.3 m -66.27 -27.11 39.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.574 -175.454 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 91' ' ' LEU . . . . . 0.655 ' HA ' ' HB3' ' B' ' 94' ' ' ALA . 3.8 mm? -66.38 -22.47 66.25 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.657 -0.247 . . . . 0.0 111.101 -178.826 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 11.2 t -63.13 -27.18 69.2 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.215 0.531 . . . . 0.0 110.333 178.914 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 93' ' ' SER . . . . . 0.537 ' HB2' HG12 ' A' ' 99' ' ' VAL . 8.7 m -120.93 14.19 11.52 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-O 121.191 0.52 . . . . 0.0 110.33 179.747 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 94' ' ' ALA . . . . . 0.655 ' HB3' ' HA ' ' B' ' 91' ' ' LEU . . . -110.38 97.26 6.76 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.793 -178.407 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 1.5 m -68.22 88.54 0.3 Allowed 'General case' 0 N--CA 1.429 -1.496 0 CA-C-N 115.49 -0.777 . . . . 0.0 111.023 177.698 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 96' ' ' ILE . . . . . 0.672 HD11 HG13 ' B' ' 99' ' ' VAL . 9.9 tt -68.24 139.19 21.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 121.026 0.441 . . . . 0.0 111.77 179.804 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 97' ' ' GLY . . . . . . . . . . . . . . . -86.48 -95.19 0.84 Allowed Glycine 0 N--CA 1.449 -0.469 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.805 177.222 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 98' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -139.65 113.67 8.83 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.842 0.353 . . . . 0.0 110.944 179.48 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 99' ' ' VAL . . . . . 0.672 HG13 HD11 ' B' ' 96' ' ' ILE . 4.0 m -92.23 137.98 20.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.787 176.864 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 100' ' ' SER . . . . . . . . . . . . . 47.4 m -98.01 143.97 28.02 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.015 177.37 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 16.4 m -82.82 11.7 5.69 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.368 0.604 . . . . 0.0 110.495 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 51.0 t -110.58 121.42 63.31 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.519 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.036 -177.572 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . 112.14 -2.39 26.89 Favored Glycine 0 N--CA 1.448 -0.509 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.922 177.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 104' ' ' VAL . . . . . . . . . . . . . 37.9 t -61.29 -29.53 46.07 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.217 0 CA-C-N 116.828 0.314 . . . . 0.0 110.778 178.705 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -47.9 -41.51 24.66 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 121.337 0.589 . . . . 0.0 111.225 178.013 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 13.4 m -64.88 -34.36 78.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.412 -179.29 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 14.4 m -70.93 -34.96 72.01 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.639 -175.353 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 108' ' ' LEU . . . . . 0.565 ' O ' HG12 ' B' ' 111' ' ' VAL . 4.3 mm? -59.23 -36.57 75.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.606 177.087 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 109' ' ' ASN . . . . . . . . . . . . . 17.9 m-80 -67.89 -25.64 65.61 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.378 -178.544 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 110' ' ' VAL . . . . . . . . . . . . . 39.9 t -85.86 -39.78 13.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.054 -176.54 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 111' ' ' VAL . . . . . 0.565 HG12 ' O ' ' B' ' 108' ' ' LEU . 7.1 p -60.88 -26.66 39.35 Favored 'Isoleucine or valine' 0 C--O 1.234 0.266 0 CA-C-O 121.315 0.579 . . . . 0.0 110.497 -178.512 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 112' ' ' GLN . . . . . 0.556 ' HG3' ' O ' ' B' ' 108' ' ' LEU . 24.0 mt-30 -67.84 -20.58 65.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.299 -179.588 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 113' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -85.06 -36.99 20.84 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-O 121.41 0.624 . . . . 0.0 110.066 -176.385 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 114' ' ' SER . . . . . 0.426 ' HB3' HD12 ' B' ' 58' ' ' ILE . 4.8 m -76.04 -46.34 29.77 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.17 -0.923 . . . . 0.0 111.894 -171.667 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 115' ' ' VAL . . . . . 0.409 HG12 ' O ' ' B' ' 111' ' ' VAL . 10.3 p -108.42 -20.14 6.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-O 120.951 0.405 . . . . 0.0 111.372 -172.746 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 116' ' ' GLY . . . . . . . . . . . . . . . -59.77 -29.12 66.73 Favored Glycine 0 C--O 1.228 -0.223 0 CA-C-N 116.17 -0.468 . . . . 0.0 113.294 -176.378 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -82.24 -7.68 59.63 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 122.728 -0.278 . . . . 0.0 111.626 -178.148 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 118' ' ' TYR . . . . . 0.525 ' HB3' HD23 ' B' ' 76' ' ' LEU . 87.9 m-85 -101.58 -30.56 11.31 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.004 0.431 . . . . 0.0 110.806 179.103 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 119' ' ' VAL . . . . . . . . . . . . . 35.9 m -88.99 -3.36 9.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.418 179.107 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.131 0 CA-C-O 118.849 -0.973 . . . . 0.0 112.231 -179.61 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.454 ' HB3' ' O ' ' B' ' 119' ' ' VAL . 12.3 m . . . . . 0 N--CA 1.444 -0.747 0 CA-C-O 120.784 0.326 . . . . 0.0 110.512 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.563 ' CE1' ' HA ' ' A' ' 74' ' ' GLU . 0.1 OUTLIER -150.6 117.59 5.91 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.034 179.733 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.19 -27.56 53.64 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.559 -176.733 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.49 -30.76 72.49 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.931 -0.652 . . . . 0.0 112.508 -178.159 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.469 ' HB1' ' HB2' ' A' ' 78' ' ' GLN . . . -67.12 -16.61 64.43 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.102 0.477 . . . . 0.0 110.505 178.233 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.492 HG21 ' HA2' ' B' ' 116' ' ' GLY . 3.2 t -94.49 -44.03 13.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.235 -179.688 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 24.5 m120 -62.85 -33.4 75.18 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 120.945 0.402 . . . . 0.0 111.223 -177.32 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 6.1 ptp180 -73.22 -1.03 16.09 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.807 -176.58 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.716 HD11 ' HB3' ' A' ' 81' ' ' LEU . 91.0 mt -73.49 -20.66 60.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.929 0.395 . . . . 0.0 110.986 179.24 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 52.8 p -71.82 -11.48 60.83 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.568 178.437 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 32.6 t -71.34 140.86 50.39 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.749 -0.66 . . . . 0.0 109.99 179.768 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.5 -18.39 39.77 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.924 0.392 . . . . 0.0 111.339 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -57.98 -51.32 70.15 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.205 177.221 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.588 ' O ' HG23 ' A' ' 39' ' ' VAL . . . -59.39 -53.54 56.97 Favored 'General case' 0 CA--C 1.515 -0.371 0 CA-C-N 115.589 -0.732 . . . . 0.0 109.93 176.658 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -51.23 -31.73 21.75 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.904 0.383 . . . . 0.0 111.31 -179.357 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 61.1 m -76.68 -32.09 57.69 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.961 -0.563 . . . . 0.0 112.374 179.094 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 77.2 mtt-85 -90.66 -40.67 11.75 Favored 'General case' 0 CA--C 1.516 -0.333 0 CA-C-O 121.765 0.793 . . . . 0.0 109.733 -175.668 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.588 HG23 ' O ' ' A' ' 35' ' ' ALA . 43.5 t -65.41 -42.14 92.78 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.92 0 CA-C-N 114.394 -1.275 . . . . 0.0 110.841 -178.858 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.512 ' O ' HG12 ' A' ' 43' ' ' ILE . 95.7 p -71.96 -15.57 62.07 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-O 121.14 0.495 . . . . 0.0 110.887 -179.745 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 47.3 t -81.42 -7.9 59.65 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.361 179.635 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 47.3 m-80 -126.14 -2.49 7.01 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.574 -176.552 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.512 HG12 ' O ' ' A' ' 40' ' ' SER . 5.4 pt -59.35 -40.5 81.63 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.234 0 CA-C-O 121.039 0.447 . . . . 0.0 110.57 177.476 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.504 ' N ' HG13 ' A' ' 43' ' ' ILE . . . -79.88 -11.59 59.8 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.91 -177.34 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -82.58 -49.12 10.2 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.203 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 40.0 mt -67.45 -32.06 55.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.041 177.902 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.661 ' HB1' HD13 ' B' ' 96' ' ' ILE . . . -69.74 -2.11 11.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.402 176.662 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 30.2 t -110.82 -49.32 3.05 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.724 -179.158 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -93.25 -21.02 30.99 Favored Glycine 0 C--N 1.331 0.271 0 C-N-CA 120.532 -0.842 . . . . 0.0 113.328 -176.804 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 74.27 -74.59 1.23 Allowed Glycine 0 N--CA 1.45 -0.417 0 N-CA-C 112.009 -0.437 . . . . 0.0 112.009 -178.813 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -117.34 -25.74 6.94 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.135 0.493 . . . . 0.0 110.314 179.583 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 15.4 m -71.15 -14.39 62.26 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.675 -178.562 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -90.5 -16.57 28.65 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.09 -178.028 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.643 HD11 HG11 ' B' ' 88' ' ' VAL . 27.5 mt -56.47 -58.35 17.51 Favored Pre-proline 0 C--N 1.327 -0.406 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.875 -176.415 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.418 ' HD2' ' N ' ' A' ' 54' ' ' LEU . 18.7 Cg_endo -60.48 -24.81 79.02 Favored 'Trans proline' 0 C--N 1.354 0.833 0 C-N-CA 122.156 1.904 . . . . 0.0 112.26 -177.376 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 16.6 m -83.84 -44.59 14.16 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.882 -179.478 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 53.0 t -74.13 -39.26 50.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.099 -175.082 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.505 HG12 ' HG ' ' A' ' 83' ' ' LEU . 63.7 mt -60.68 -36.58 71.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.174 176.091 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 5.5 t -70.1 -36.0 74.55 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.302 -0.408 . . . . 0.0 109.928 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 89.0 m-20 -63.75 -48.87 75.25 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.6 178.269 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 64.8 mt -74.08 -48.47 37.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.746 -176.879 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.5 ' O ' HG23 ' A' ' 66' ' ' VAL . 54.5 t80 -53.05 -52.56 58.11 Favored 'General case' 0 N--CA 1.466 0.36 0 N-CA-C 111.505 0.187 . . . . 0.0 111.505 -177.299 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 29.5 t -62.09 -31.34 71.77 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.867 0.365 . . . . 0.0 110.392 -179.05 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -71.33 -41.07 59.73 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.792 -0.718 . . . . 0.0 111.401 178.881 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.613 HG12 HG11 ' A' ' 70' ' ' VAL . 71.5 t -65.58 -47.42 86.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-O 120.937 0.398 . . . . 0.0 110.857 177.724 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.5 HG23 ' O ' ' A' ' 62' ' ' TYR . 76.3 t -62.09 -34.45 63.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.715 -178.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -68.92 -8.34 43.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.832 179.713 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 36.2 t -79.54 -21.34 45.29 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.982 0.42 . . . . 0.0 110.287 177.442 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 101.25 14.13 31.47 Favored Glycine 0 N--CA 1.453 -0.209 0 C-N-CA 120.659 -0.781 . . . . 0.0 112.184 -178.403 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.613 HG11 HG12 ' A' ' 65' ' ' VAL . 15.0 p -71.43 157.31 6.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 N-CA-C 110.184 -0.302 . . . . 0.0 110.184 178.061 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 33.7 t -59.07 136.37 57.93 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 174.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 14.5 m -50.71 -46.91 59.19 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 112.665 0.617 . . . . 0.0 112.665 -173.664 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -77.63 -30.94 52.49 Favored 'General case' 0 C--N 1.329 -0.326 0 C-N-CA 120.935 -0.306 . . . . 0.0 110.607 -175.604 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.563 ' HA ' ' CE1' ' A' ' 23' ' ' TYR . 34.7 tt0 -69.48 -29.63 67.33 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-O 121.128 0.489 . . . . 0.0 110.049 178.204 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.469 ' HB2' HG13 ' A' ' 70' ' ' VAL . . . -60.36 -35.1 74.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.503 -0.771 . . . . 0.0 111.274 178.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.506 HD23 ' HB3' ' A' ' 118' ' ' TYR . 2.9 tm? -55.86 -52.05 65.41 Favored 'General case' 0 CA--C 1.517 -0.321 0 CA-C-O 120.999 0.428 . . . . 0.0 109.891 178.154 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.699 ' O ' ' HG ' ' A' ' 81' ' ' LEU . 39.2 mm -60.42 -54.61 32.63 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.789 -177.598 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' GLN . . . . . 0.469 ' HB2' ' HB1' ' A' ' 26' ' ' ALA . 24.2 tt0 -57.22 -46.68 82.73 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.628 0.252 . . . . 0.0 111.203 179.855 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.57 -39.2 87.12 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.834 -179.703 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.559 ' O ' HD23 ' A' ' 84' ' ' LEU . 2.7 mm? -67.47 -37.5 83.0 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.985 176.206 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.716 ' HB3' HD11 ' A' ' 30' ' ' LEU . 76.5 mt -69.65 -38.75 77.25 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.802 0.334 . . . . 0.0 111.25 -178.92 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -72.36 -12.36 61.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.399 0.619 . . . . 0.0 110.593 174.848 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.505 ' HG ' HG12 ' A' ' 58' ' ' ILE . 3.4 tm? -89.24 -44.95 9.9 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.469 175.622 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.559 HD23 ' O ' ' A' ' 80' ' ' LEU . 4.0 mm? -66.27 -12.3 55.59 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.45 -0.796 . . . . 0.0 111.991 -178.488 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.7 p -93.6 -29.72 15.33 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 120.807 0.337 . . . . 0.0 111.106 -177.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -68.69 -47.0 67.56 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.314 0.578 . . . . 0.0 110.833 -179.203 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.554 HD12 ' N ' ' A' ' 88' ' ' VAL . 1.6 pp -76.07 -25.77 55.88 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 113.034 0.753 . . . . 0.0 113.034 -172.013 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.554 ' N ' HD12 ' A' ' 87' ' ' LEU . 16.4 m -83.95 -23.71 7.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 C-N-CA 120.113 -0.635 . . . . 0.0 110.68 177.8 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 73.7 t60 -67.74 -40.16 84.17 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.233 178.028 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.496 HG22 ' O ' ' A' ' 87' ' ' LEU . 21.9 m -66.4 -26.09 36.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.502 -174.455 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.594 ' HA ' ' HB3' ' A' ' 94' ' ' ALA . 3.0 mm? -65.01 -20.08 66.32 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.221 179.227 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 22.2 t -64.91 -25.56 67.94 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.83 0.348 . . . . 0.0 110.807 -179.173 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 7.7 t -122.78 3.28 9.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.398 0.618 . . . . 0.0 110.178 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.594 ' HB3' ' HA ' ' A' ' 91' ' ' LEU . . . -94.89 100.47 12.33 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.185 177.818 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 8.9 t -77.12 89.63 3.63 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.186 0.517 . . . . 0.0 109.894 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.806 HD13 ' HB1' ' B' ' 47' ' ' ALA . 16.8 tt -69.67 143.49 14.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.488 -178.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -92.93 -112.29 2.08 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.889 -0.672 . . . . 0.0 112.281 178.523 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -122.84 112.35 17.77 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.983 0.42 . . . . 0.0 110.612 -178.821 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.569 HG12 ' HB2' ' B' ' 93' ' ' SER . 11.5 m -90.54 153.09 3.25 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.957 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 43.9 t -113.42 153.4 28.67 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 178.329 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 24.4 p -78.84 -9.58 59.52 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.395 0.617 . . . . 0.0 110.28 178.229 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 43.6 t -78.12 103.34 5.08 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.431 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.918 -176.435 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 130.54 -14.14 5.59 Favored Glycine 0 N--CA 1.447 -0.597 0 C-N-CA 120.555 -0.831 . . . . 0.0 113.091 175.281 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.451 ' O ' HD12 ' A' ' 108' ' ' LEU . 16.6 t -58.43 -35.02 52.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 176.908 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -52.07 -44.52 64.36 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 114.997 -1.001 . . . . 0.0 110.402 177.497 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 11.2 m -85.64 -27.65 25.27 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.418 -0.81 . . . . 0.0 111.117 -177.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 29.7 m -64.61 -34.01 77.26 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-O 121.294 0.569 . . . . 0.0 109.938 178.137 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.559 ' O ' ' HG3' ' A' ' 112' ' ' GLN . 1.5 mt -59.88 -30.19 68.83 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.406 -0.816 . . . . 0.0 110.956 175.152 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -71.61 -16.1 62.27 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.998 0.428 . . . . 0.0 110.792 179.537 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 29.5 t -94.28 -36.54 7.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.827 -179.04 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.52 HG12 ' O ' ' A' ' 108' ' ' LEU . 8.6 p -63.69 -29.54 47.54 Favored 'Isoleucine or valine' 0 C--O 1.235 0.299 0 CA-C-O 121.37 0.605 . . . . 0.0 110.317 179.559 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 112' ' ' GLN . . . . . 0.559 ' HG3' ' O ' ' A' ' 108' ' ' LEU . 25.2 mt-30 -67.22 -22.04 65.73 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.475 179.107 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -86.58 -20.08 28.44 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.408 -177.163 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 13.7 m -88.72 -32.69 17.82 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.001 -0.545 . . . . 0.0 112.03 -173.144 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.65 HG11 HD22 ' B' ' 81' ' ' LEU . 11.4 p -120.79 -21.02 4.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 N-CA-C 112.15 0.426 . . . . 0.0 112.15 -173.48 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -54.92 -32.47 55.97 Favored Glycine 0 C--N 1.331 0.262 0 C-N-CA 121.432 -0.413 . . . . 0.0 113.441 -176.389 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -81.03 -4.26 54.57 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 111.962 0.356 . . . . 0.0 111.962 -178.314 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 118' ' ' TYR . . . . . 0.506 ' HB3' HD23 ' A' ' 76' ' ' LEU . 97.6 m-85 -108.5 -30.03 8.48 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.965 0.412 . . . . 0.0 110.09 178.712 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.474 ' O ' ' HB3' ' B' ' 22' ' ' SER . 35.4 m . . . . . 0 C--N 1.326 -0.423 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.99 174.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 22' ' ' SER . . . . . 0.474 ' HB3' ' O ' ' A' ' 119' ' ' VAL . 4.6 m . . . . . 0 N--CA 1.445 -0.679 0 CA-C-O 120.759 0.314 . . . . 0.0 110.378 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -146.86 116.85 7.26 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.08 -179.281 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -76.66 -26.72 55.13 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.396 -177.701 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.65 -27.78 72.39 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.608 -177.459 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 26' ' ' ALA . . . . . 0.501 ' HB1' ' HB2' ' B' ' 78' ' ' GLN . . . -68.86 -19.05 64.23 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.381 0.61 . . . . 0.0 109.938 177.696 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 27' ' ' VAL . . . . . 0.514 HG22 ' CD1' ' B' ' 81' ' ' LEU . 2.5 t -93.65 -40.72 11.99 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 115.179 -0.919 . . . . 0.0 109.986 179.628 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 65.4 m-20 -74.02 -8.0 54.51 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.523 -0.762 . . . . 0.0 111.653 -172.696 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 29' ' ' ARG . . . . . 0.426 HH11 ' HD2' ' B' ' 29' ' ' ARG . 6.5 ptp180 -98.61 4.57 48.07 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.845 0.355 . . . . 0.0 110.688 179.46 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 90.1 mt -79.46 -12.87 59.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.291 -177.202 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 14.0 p -78.14 -2.94 39.96 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.53 179.081 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 26.8 t -77.75 141.45 39.27 Favored 'General case' 0 N--CA 1.448 -0.567 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.669 177.284 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.68 -21.78 61.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.176 -179.52 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -55.97 -45.05 79.05 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.448 177.705 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 35' ' ' ALA . . . . . 0.708 ' O ' HG23 ' B' ' 39' ' ' VAL . . . -63.13 -52.49 62.35 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.811 -0.631 . . . . 0.0 109.769 175.607 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -51.76 -37.52 51.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.623 -177.188 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 39.4 m -69.35 -21.81 63.79 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.218 -0.446 . . . . 0.0 112.0 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 38' ' ' ARG . . . . . 0.465 ' HD2' ' OE1' ' B' ' 82' ' ' GLU . 91.8 mtt180 -93.04 -53.05 4.3 Favored 'General case' 0 CA--C 1.511 -0.532 0 CA-C-O 121.896 0.855 . . . . 0.0 108.719 179.722 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 39' ' ' VAL . . . . . 0.708 HG23 ' O ' ' B' ' 35' ' ' ALA . 16.2 t -60.34 -34.83 59.01 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-N 113.682 -1.599 . . . . 0.0 111.53 -174.683 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 84.6 p -74.37 -10.55 59.69 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-O 121.1 0.476 . . . . 0.0 110.986 179.671 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 45.7 t -95.07 -7.9 38.18 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.707 0.765 . . . . 0.0 109.257 176.626 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 11.6 m120 -100.31 -25.39 14.26 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.366 -0.834 . . . . 0.0 109.784 -176.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 43' ' ' ILE . . . . . 0.562 HG13 ' N ' ' B' ' 44' ' ' ALA . 4.6 pt -58.34 -42.44 83.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.505 -0.77 . . . . 0.0 111.383 -178.398 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 44' ' ' ALA . . . . . 0.562 ' N ' HG13 ' B' ' 43' ' ' ILE . . . -78.62 -16.67 57.1 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.161 0.505 . . . . 0.0 110.895 -176.857 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -83.53 -52.7 6.26 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.824 -179.611 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 53.3 mt -67.15 -32.8 59.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.602 -178.711 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 47' ' ' ALA . . . . . 0.806 ' HB1' HD13 ' A' ' 96' ' ' ILE . . . -61.96 -23.34 66.32 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.264 178.176 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 32.3 m -97.91 -40.64 8.4 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.435 -175.744 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -95.31 -21.6 24.37 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.538 -0.839 . . . . 0.0 113.364 -176.091 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 71.34 -78.4 0.57 Allowed Glycine 0 N--CA 1.45 -0.423 0 N-CA-C 111.513 -0.635 . . . . 0.0 111.513 -178.405 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -117.0 -19.26 9.86 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-O 121.305 0.574 . . . . 0.0 109.754 178.27 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 4.6 m -72.31 -13.98 61.63 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.623 -177.582 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -95.69 -14.98 22.98 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.707 -0.678 . . . . 0.0 111.044 -177.835 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 54' ' ' LEU . . . . . 0.55 HD11 HG11 ' A' ' 88' ' ' VAL . 49.8 mt -53.88 -58.71 12.14 Favored Pre-proline 0 CA--C 1.531 0.244 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.787 -176.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 55' ' ' PRO . . . . . 0.414 ' HD2' ' N ' ' B' ' 54' ' ' LEU . 28.1 Cg_endo -62.79 -23.02 74.36 Favored 'Trans proline' 0 C--N 1.351 0.7 0 C-N-CA 121.934 1.756 . . . . 0.0 112.221 -176.131 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 6.2 m -84.94 -41.57 15.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.192 0.52 . . . . 0.0 110.794 -178.857 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 78.6 t -78.03 -39.26 25.18 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.395 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.263 -174.382 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 58' ' ' ILE . . . . . 0.471 HG12 HD22 ' B' ' 83' ' ' LEU . 64.8 mt -56.24 -41.77 71.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.287 175.283 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 8.1 t -65.44 -38.85 91.09 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.884 -178.112 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 95.2 m-20 -63.03 -55.05 28.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.637 178.67 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 61' ' ' ILE . . . . . 0.443 ' O ' HG23 ' B' ' 65' ' ' VAL . 57.5 mt -65.01 -47.83 86.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.551 -0.749 . . . . 0.0 111.477 -176.417 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 62' ' ' TYR . . . . . 0.419 ' O ' HG23 ' B' ' 66' ' ' VAL . 46.0 t80 -56.48 -47.88 78.29 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.631 -0.259 . . . . 0.0 110.6 -177.173 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 32.1 t -62.56 -31.29 72.06 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.453 179.078 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -72.58 -40.89 52.75 Favored Glycine 0 N--CA 1.453 -0.197 0 C-N-CA 120.784 -0.722 . . . . 0.0 111.683 178.303 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 65' ' ' VAL . . . . . 0.734 HG12 HG11 ' B' ' 70' ' ' VAL . 96.4 t -65.97 -46.8 87.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-O 120.977 0.417 . . . . 0.0 110.984 178.89 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 66' ' ' VAL . . . . . 0.419 HG23 ' O ' ' B' ' 62' ' ' TYR . 79.7 t -65.38 -31.57 54.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 121.056 0.455 . . . . 0.0 110.794 179.788 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -74.09 -5.63 42.74 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.414 177.881 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 20.3 t -89.96 -10.75 43.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.339 179.6 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 88.4 36.73 7.93 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.373 179.69 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 70' ' ' VAL . . . . . 0.734 HG11 HG12 ' B' ' 65' ' ' VAL . 13.3 p -87.3 163.57 2.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 N-CA-C 110.201 -0.296 . . . . 0.0 110.201 178.067 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 71' ' ' SER . . . . . 0.416 ' N ' HG22 ' B' ' 70' ' ' VAL . 17.4 t -67.57 148.31 51.6 Favored 'General case' 0 CA--C 1.531 0.229 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 175.744 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 48.0 m -53.01 -55.06 26.47 Favored 'General case' 0 CA--C 1.534 0.34 0 N-CA-C 113.01 0.744 . . . . 0.0 113.01 -172.927 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -78.11 -26.61 48.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.929 0.395 . . . . 0.0 110.553 -174.876 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -72.31 -26.57 62.0 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.991 0.424 . . . . 0.0 110.482 -179.485 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 75' ' ' ALA . . . . . 0.419 ' HB2' HG13 ' B' ' 70' ' ' VAL . . . -58.7 -42.1 87.81 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.722 179.698 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -55.25 -48.04 74.55 Favored 'General case' 0 N--CA 1.463 0.195 0 O-C-N 123.236 0.335 . . . . 0.0 110.23 -179.622 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 77' ' ' ILE . . . . . 0.715 ' O ' ' HG ' ' B' ' 81' ' ' LEU . 42.1 mm -61.65 -56.52 17.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.964 -177.451 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 78' ' ' GLN . . . . . 0.501 ' HB2' ' HB1' ' B' ' 26' ' ' ALA . 30.3 tt0 -57.39 -44.74 84.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.543 -0.298 . . . . 0.0 110.974 -179.819 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -59.78 -40.91 89.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.962 0.41 . . . . 0.0 110.888 179.628 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 80' ' ' LEU . . . . . 0.632 ' O ' HD23 ' B' ' 84' ' ' LEU . 2.4 mm? -67.15 -36.03 80.95 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.228 177.716 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 81' ' ' LEU . . . . . 0.715 ' HG ' ' O ' ' B' ' 77' ' ' ILE . 33.4 mt -76.18 -34.47 59.33 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 120.754 0.311 . . . . 0.0 111.619 -175.332 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 82' ' ' GLU . . . . . 0.465 ' OE1' ' HD2' ' B' ' 38' ' ' ARG . 61.2 mt-10 -67.9 -17.75 64.57 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.335 0.588 . . . . 0.0 110.314 172.5 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 83' ' ' LEU . . . . . 0.471 HD22 HG12 ' B' ' 58' ' ' ILE . 50.9 tp -84.69 -44.63 13.23 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.596 174.104 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 84' ' ' LEU . . . . . 0.632 HD23 ' O ' ' B' ' 80' ' ' LEU . 3.8 mm? -67.51 -5.07 13.45 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.566 -0.743 . . . . 0.0 112.124 -177.051 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 1.4 p -99.62 -23.39 15.07 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 120.79 0.329 . . . . 0.0 110.655 177.914 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 86' ' ' ALA . . . . . 0.402 ' HB2' HG13 ' B' ' 39' ' ' VAL . . . -77.84 -47.88 17.77 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-O 121.184 0.516 . . . . 0.0 110.534 -178.739 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 87' ' ' LEU . . . . . 0.482 HD12 HG13 ' B' ' 88' ' ' VAL . 1.5 pp -72.21 -20.24 61.6 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.512 -0.767 . . . . 0.0 112.914 -172.244 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 88' ' ' VAL . . . . . 0.643 HG11 HD11 ' A' ' 54' ' ' LEU . 14.1 m -90.95 -20.81 6.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 C-N-CA 120.468 -0.493 . . . . 0.0 110.867 176.931 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 89' ' ' HIS . . . . . . . . . . . . . 69.7 t60 -71.51 -32.43 68.18 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.065 178.393 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 90' ' ' VAL . . . . . 0.469 HG22 ' O ' ' B' ' 87' ' ' LEU . 10.5 m -65.7 -25.55 36.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.12 -177.179 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 91' ' ' LEU . . . . . 0.649 ' HA ' ' HB3' ' B' ' 94' ' ' ALA . 3.7 mm? -64.01 -24.16 67.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.4 -0.363 . . . . 0.0 110.826 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 47.5 t -57.54 -30.03 64.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.878 178.647 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 93' ' ' SER . . . . . 0.569 ' HB2' HG12 ' A' ' 99' ' ' VAL . 15.2 m -123.19 15.45 9.82 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-O 121.26 0.552 . . . . 0.0 110.656 -179.831 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 94' ' ' ALA . . . . . 0.649 ' HB3' ' HA ' ' B' ' 91' ' ' LEU . . . -111.31 95.05 5.29 Favored 'General case' 0 N--CA 1.447 -0.601 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.582 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 15.3 t -76.39 87.5 3.16 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.562 178.569 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 96' ' ' ILE . . . . . 0.661 HD13 ' HB1' ' A' ' 47' ' ' ALA . 16.6 tt -66.07 140.21 19.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.889 -179.295 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 97' ' ' GLY . . . . . . . . . . . . . . . -93.74 -89.06 1.63 Allowed Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.611 -0.804 . . . . 0.0 112.9 -177.808 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 98' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -137.57 119.58 15.42 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.646 0.26 . . . . 0.0 110.726 -177.836 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 99' ' ' VAL . . . . . 0.461 ' CG1' HD11 ' B' ' 96' ' ' ILE . 5.6 m -109.97 141.36 25.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.822 179.235 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 100' ' ' SER . . . . . . . . . . . . . 43.3 t -108.2 156.7 19.04 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.917 -179.343 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 101' ' ' SER . . . . . 0.408 ' HB3' ' HB2' ' A' ' 40' ' ' SER . 24.7 m -78.0 -10.15 59.46 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.19 0.519 . . . . 0.0 110.447 178.902 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 43.1 t -82.34 102.25 8.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.328 -175.809 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . 132.13 -9.56 5.39 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.612 -0.804 . . . . 0.0 113.132 175.181 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 104' ' ' VAL . . . . . . . . . . . . . 21.9 t -59.78 -32.64 50.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 177.306 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -48.52 -49.23 36.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.012 -0.995 . . . . 0.0 110.282 173.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 15.4 m -72.87 -38.69 66.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.295 -0.866 . . . . 0.0 111.23 -177.822 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 17.3 m -63.46 -29.04 70.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.519 0.676 . . . . 0.0 110.714 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 108' ' ' LEU . . . . . 0.501 HD21 HG21 ' A' ' 39' ' ' VAL . 5.5 mt -69.26 -23.24 63.82 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.329 177.841 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 109' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -74.05 -30.6 62.49 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.759 0.314 . . . . 0.0 111.105 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 110' ' ' VAL . . . . . . . . . . . . . 8.9 p -89.22 -29.42 5.16 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.276 0 N-CA-C 111.868 0.321 . . . . 0.0 111.868 -176.196 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 111' ' ' VAL . . . . . 0.409 HG12 ' O ' ' B' ' 108' ' ' LEU . 12.2 p -63.48 -30.56 50.13 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.269 0 CA-C-O 121.358 0.599 . . . . 0.0 110.186 178.265 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 112' ' ' GLN . . . . . 0.495 ' HG3' ' O ' ' B' ' 108' ' ' LEU . 27.2 mt-30 -65.56 -27.31 68.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.448 -0.797 . . . . 0.0 111.054 179.504 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 113' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -80.73 -24.28 38.86 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.958 -172.397 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 7.0 m -86.79 -35.81 18.92 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.698 -0.683 . . . . 0.0 112.079 -171.835 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 115' ' ' VAL . . . . . . . . . . . . . 13.3 p -122.79 -18.07 4.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 N-CA-C 112.018 0.377 . . . . 0.0 112.018 -172.653 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 116' ' ' GLY . . . . . 0.492 ' HA2' HG21 ' A' ' 27' ' ' VAL . . . -61.66 -25.52 65.58 Favored Glycine 0 C--O 1.228 -0.266 0 C-N-CA 121.089 -0.576 . . . . 0.0 113.073 -175.322 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -88.15 -5.82 58.22 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.847 0.356 . . . . 0.0 111.592 -179.48 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 118' ' ' TYR . . . . . . . . . . . . . 80.8 m-85 -97.54 -30.67 12.74 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.086 0.469 . . . . 0.0 109.774 177.396 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 119' ' ' VAL . . . . . 0.454 ' O ' ' HB3' ' A' ' 22' ' ' SER . 34.0 m -89.75 -0.99 9.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.36 178.181 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.978 0 CA-C-O 118.5 -1.167 . . . . 0.0 111.863 178.823 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 17.0 m . . . . . 0 N--CA 1.455 -0.193 0 CA-C-O 120.63 0.252 . . . . 0.0 111.538 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.604 ' CE1' ' HA ' ' A' ' 74' ' ' GLU . 0.0 OUTLIER -156.26 121.41 4.73 Favored 'General case' 0 CA--C 1.52 -0.177 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 179.914 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -83.85 -21.13 32.13 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-O 120.934 0.397 . . . . 0.0 111.633 179.702 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -66.85 -29.08 74.14 Favored Glycine 0 CA--C 1.51 -0.247 0 C-N-CA 121.349 -0.453 . . . . 0.0 112.072 -176.773 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.523 ' HB1' ' HB2' ' A' ' 78' ' ' GLN . . . -68.81 -15.28 63.46 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.109 0.48 . . . . 0.0 110.031 178.219 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.462 HG22 HD11 ' A' ' 81' ' ' LEU . 3.5 t -95.15 -44.82 13.3 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.318 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.872 -176.678 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 21.4 m120 -64.83 -25.62 67.98 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-O 120.855 0.359 . . . . 0.0 111.542 -176.223 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 2.0 ptm180 -81.54 3.59 24.42 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.554 -175.177 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.533 HD11 ' HB3' ' A' ' 81' ' ' LEU . 82.9 mt -80.94 -17.74 49.46 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.235 -178.168 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 13.4 p -79.46 5.01 13.88 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.038 0.447 . . . . 0.0 111.068 -177.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 33.7 t -96.26 158.28 15.51 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.057 177.379 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -58.77 -21.15 55.11 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 121.084 0.468 . . . . 0.0 111.376 -179.499 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -48.83 -58.46 4.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 114.996 -1.002 . . . . 0.0 110.992 178.177 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.65 ' O ' HG23 ' A' ' 39' ' ' VAL . . . -68.63 -50.62 49.98 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.384 -0.825 . . . . 0.0 110.724 179.8 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -47.35 -39.94 16.19 Favored 'General case' 0 N--CA 1.465 0.288 0 O-C-N 123.399 0.437 . . . . 0.0 111.96 -176.301 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 60.7 m -71.91 -26.65 62.4 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.981 -178.435 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.413 HH11 ' HD3' ' A' ' 38' ' ' ARG . 20.3 mtm180 -92.03 -40.77 10.9 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.675 0.75 . . . . 0.0 109.463 -177.17 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.65 HG23 ' O ' ' A' ' 35' ' ' ALA . 40.4 t -64.05 -46.25 94.32 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.926 0 CA-C-N 114.425 -1.262 . . . . 0.0 110.491 179.11 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.507 ' HA ' HG23 ' A' ' 43' ' ' ILE . 33.1 t -75.63 -9.89 58.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.301 -178.761 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 32.5 t -82.85 -7.74 59.63 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 177.667 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 47.9 m-80 -124.85 0.13 8.0 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.717 -178.174 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.507 HG23 ' HA ' ' A' ' 40' ' ' SER . 2.3 pt -63.07 -38.38 81.89 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 CA-C-O 120.924 0.393 . . . . 0.0 110.706 177.909 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.414 ' N ' HG13 ' A' ' 43' ' ' ILE . . . -78.3 -7.97 57.85 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.031 -179.737 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -90.23 -55.76 3.48 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.644 -178.809 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.452 HG21 ' HB3' ' A' ' 87' ' ' LEU . 45.8 mt -64.03 -33.6 63.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.604 -178.641 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.629 ' HB1' HD13 ' B' ' 96' ' ' ILE . . . -63.7 -23.68 67.47 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.645 -178.904 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 22.8 t -98.41 -24.27 15.25 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.936 -0.574 . . . . 0.0 111.063 -177.417 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -103.28 -28.2 6.2 Favored Glycine 0 N--CA 1.453 -0.192 0 C-N-CA 120.475 -0.869 . . . . 0.0 113.227 -175.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 75.14 -76.5 1.24 Allowed Glycine 0 N--CA 1.448 -0.566 0 N-CA-C 110.905 -0.878 . . . . 0.0 110.905 -177.649 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -121.79 -22.2 5.86 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-O 121.134 0.492 . . . . 0.0 110.385 178.226 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 4.4 m -70.87 -12.72 61.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.674 -177.405 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -96.0 -13.35 23.85 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.035 -178.645 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.428 ' N ' ' HD2' ' A' ' 55' ' ' PRO . 47.1 mt -55.01 -57.85 17.56 Favored Pre-proline 0 CA--C 1.535 0.387 0 N-CA-C 111.964 0.357 . . . . 0.0 111.964 -177.245 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.428 ' HD2' ' N ' ' A' ' 54' ' ' LEU . 20.2 Cg_endo -62.23 -23.6 75.49 Favored 'Trans proline' 0 C--N 1.353 0.786 0 C-N-CA 122.141 1.894 . . . . 0.0 112.307 -177.592 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 10.0 m -84.02 -43.93 14.65 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.791 -179.409 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 64.5 t -76.54 -39.45 32.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.379 -173.716 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.44 HG12 ' HG ' ' A' ' 83' ' ' LEU . 62.6 mt -62.21 -39.67 84.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.248 176.18 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 21.1 t -68.05 -31.28 70.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.043 0.449 . . . . 0.0 110.193 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 90.0 m-20 -66.8 -55.65 13.96 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.797 176.335 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.454 ' O ' HG23 ' A' ' 65' ' ' VAL . 59.9 mt -68.55 -46.57 79.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.814 -175.15 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.544 ' O ' HG23 ' A' ' 66' ' ' VAL . 51.6 t80 -55.49 -54.5 43.14 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.804 0.335 . . . . 0.0 110.564 -177.027 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 16.5 m -61.23 -32.52 72.3 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.844 -179.585 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -69.41 -36.57 78.06 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.813 -0.708 . . . . 0.0 111.924 179.337 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.671 HG12 HG11 ' A' ' 70' ' ' VAL . 93.9 t -73.99 -42.24 52.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-O 120.66 0.267 . . . . 0.0 110.522 177.752 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.544 HG23 ' O ' ' A' ' 62' ' ' TYR . 87.1 t -60.16 -35.95 64.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.954 0.406 . . . . 0.0 110.969 179.774 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -72.11 -2.28 17.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.902 179.237 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 28.0 t -91.83 -1.46 57.33 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.697 0.284 . . . . 0.0 110.843 179.568 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 83.12 29.97 32.52 Favored Glycine 0 C--N 1.33 0.23 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.111 179.509 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.671 HG11 HG12 ' A' ' 65' ' ' VAL . 10.7 p -84.88 162.27 2.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 N-CA-C 110.08 -0.341 . . . . 0.0 110.08 -179.161 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 19.7 m -68.49 146.75 52.86 Favored 'General case' 0 N--CA 1.447 -0.577 0 N-CA-C 110.129 -0.323 . . . . 0.0 110.129 175.613 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 21.7 p -49.69 -67.36 0.27 Allowed 'General case' 0 CA--C 1.534 0.327 0 N-CA-C 113.337 0.866 . . . . 0.0 113.337 -173.038 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -73.73 -16.41 61.18 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.21 0.528 . . . . 0.0 110.747 -175.786 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.604 ' HA ' ' CE1' ' A' ' 23' ' ' TYR . 36.5 tt0 -73.41 -31.86 64.09 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 177.674 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.421 ' HB2' ' CG1' ' A' ' 70' ' ' VAL . . . -61.56 -36.33 80.32 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 115.203 -0.908 . . . . 0.0 110.768 176.388 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.58 HD23 ' HB3' ' A' ' 118' ' ' TYR . 2.7 tm? -56.2 -54.09 49.35 Favored 'General case' 0 CA--C 1.517 -0.317 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 177.789 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.754 ' O ' ' HG ' ' A' ' 81' ' ' LEU . 35.2 mm -59.86 -55.08 26.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.953 -177.866 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' GLN . . . . . 0.523 ' HB2' ' HB1' ' A' ' 26' ' ' ALA . 26.7 tt0 -57.08 -46.64 82.36 Favored 'General case' 0 C--O 1.233 0.217 0 C-N-CA 121.226 -0.19 . . . . 0.0 111.441 -179.271 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.96 -41.29 96.06 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.798 0.332 . . . . 0.0 110.615 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.554 ' O ' HD23 ' A' ' 84' ' ' LEU . 2.6 mm? -64.02 -41.67 97.36 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.024 177.528 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.754 ' HG ' ' O ' ' A' ' 77' ' ' ILE . 47.6 mt -61.93 -47.09 86.44 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.819 0.343 . . . . 0.0 110.863 -179.546 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 53.1 mt-10 -65.12 -36.72 85.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.734 178.133 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.44 ' HG ' HG12 ' A' ' 58' ' ' ILE . 3.5 tm? -61.7 -44.51 96.79 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.007 176.14 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.554 HD23 ' O ' ' A' ' 80' ' ' LEU . 3.8 mm? -68.18 -7.15 27.61 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.644 -0.707 . . . . 0.0 112.147 -177.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 35.6 m -97.78 -31.34 12.29 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.02 0.438 . . . . 0.0 111.108 -177.23 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -71.21 -46.48 61.12 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.278 0.561 . . . . 0.0 110.988 -176.643 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.452 ' HB3' HG21 ' A' ' 46' ' ' ILE . 0.9 OUTLIER -77.42 -16.08 59.0 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 113.115 0.783 . . . . 0.0 113.115 -171.796 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.436 ' N ' HD12 ' A' ' 87' ' ' LEU . 16.9 m -93.58 -22.31 5.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 C-N-CA 120.314 -0.554 . . . . 0.0 110.843 176.887 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' HIS . . . . . 0.41 ' CD2' HG22 ' B' ' 104' ' ' VAL . 79.8 t60 -70.84 -34.47 71.7 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-O 120.872 0.367 . . . . 0.0 110.086 177.691 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.414 ' HA ' HG11 ' B' ' 99' ' ' VAL . 25.9 m -64.15 -27.87 43.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.214 -175.638 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.598 ' HA ' ' HB3' ' A' ' 94' ' ' ALA . 4.0 mm? -63.64 -24.83 67.95 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.352 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 26.1 t -59.71 -31.76 69.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.024 0.44 . . . . 0.0 110.56 179.148 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' SER . . . . . 0.67 ' HB2' HG12 ' B' ' 99' ' ' VAL . 75.5 m -112.36 -10.4 13.78 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.644 0.735 . . . . 0.0 110.564 -177.595 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.598 ' HB3' ' HA ' ' A' ' 91' ' ' LEU . . . -89.47 90.03 8.11 Favored 'General case' 0 C--N 1.313 -0.992 0 CA-C-N 115.147 -0.933 . . . . 0.0 110.627 -179.8 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 12.9 m -65.83 93.92 0.2 Allowed 'General case' 0 N--CA 1.428 -1.543 0 CA-C-N 115.419 -0.81 . . . . 0.0 110.248 176.258 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.693 HD13 ' HB1' ' B' ' 47' ' ' ALA . 20.6 tt -76.09 148.29 7.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.702 -175.859 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -91.56 -108.21 1.56 Allowed Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.98 -0.629 . . . . 0.0 112.032 178.112 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 10.8 t30 -130.84 111.88 12.51 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.107 0.479 . . . . 0.0 110.259 179.343 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.547 ' CG1' HD11 ' A' ' 96' ' ' ILE . 5.7 m -86.35 138.29 19.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 115.604 -0.725 . . . . 0.0 111.157 -178.433 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 18.4 m -91.61 154.21 19.2 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.224 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 5.9 m -86.46 3.94 41.79 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.279 0.561 . . . . 0.0 110.65 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 40.4 t -106.16 112.29 38.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.645 -175.552 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 129.92 -14.17 5.74 Favored Glycine 0 N--CA 1.449 -0.45 0 CA-C-N 115.855 -0.611 . . . . 0.0 112.495 177.145 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 19.2 t -59.27 -33.41 50.79 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.271 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 176.719 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -51.69 -43.37 62.74 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 114.968 -1.015 . . . . 0.0 110.577 175.414 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 20.0 m -80.82 -35.74 32.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.56 -177.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 24.1 m -61.88 -32.43 72.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.399 0.619 . . . . 0.0 110.517 179.571 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.55 HD21 HG21 ' B' ' 39' ' ' VAL . 3.3 mt -64.31 -26.29 68.42 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.683 -0.689 . . . . 0.0 111.777 176.362 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -73.43 -32.17 64.25 Favored 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 121.006 -0.278 . . . . 0.0 111.046 -177.322 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 8.7 p -87.28 -28.69 5.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 N-CA-C 111.781 0.289 . . . . 0.0 111.781 -175.883 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.531 HG12 ' O ' ' A' ' 108' ' ' LEU . 7.9 p -63.14 -30.02 48.66 Favored 'Isoleucine or valine' 0 C--O 1.234 0.247 0 CA-C-O 121.532 0.682 . . . . 0.0 109.992 177.903 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 112' ' ' GLN . . . . . 0.521 ' HG2' HG12 ' B' ' 27' ' ' VAL . 26.5 mt-30 -64.38 -32.43 74.04 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.125 -0.943 . . . . 0.0 111.48 -178.223 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -70.95 -34.42 71.44 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.969 -177.109 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 6.0 m -78.55 -34.93 46.7 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.541 -0.754 . . . . 0.0 112.239 -171.521 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.654 HG11 HD22 ' B' ' 81' ' ' LEU . 7.6 p -113.19 -25.15 3.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 N-CA-C 111.844 0.312 . . . . 0.0 111.844 -173.836 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -59.21 -26.07 60.92 Favored Glycine 0 C--N 1.33 0.221 0 C-N-CA 121.21 -0.519 . . . . 0.0 112.776 -176.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 1.6 pt20 -82.75 2.22 34.94 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 111.699 0.259 . . . . 0.0 111.699 -178.295 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 118' ' ' TYR . . . . . 0.58 ' HB3' HD23 ' A' ' 76' ' ' LEU . 74.7 m-85 -114.81 -34.51 5.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.735 0.302 . . . . 0.0 110.655 177.498 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.406 HG21 HG21 ' B' ' 27' ' ' VAL . 33.8 m . . . . . 0 C--N 1.327 -0.375 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.429 178.565 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 3.5 m . . . . . 0 N--CA 1.449 -0.493 0 CA-C-O 120.997 0.427 . . . . 0.0 111.831 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -148.14 121.53 9.05 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 175.739 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -76.94 -31.25 56.49 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 121.16 0.505 . . . . 0.0 111.235 -178.816 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -66.23 -23.45 71.55 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.984 -0.627 . . . . 0.0 112.956 -177.523 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 26' ' ' ALA . . . . . 0.463 ' HB1' ' HB2' ' B' ' 78' ' ' GLN . . . -72.26 -12.56 61.21 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.448 0.642 . . . . 0.0 109.649 176.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 27' ' ' VAL . . . . . 0.536 HG22 ' CD1' ' B' ' 81' ' ' LEU . 3.5 t -98.55 -44.47 12.13 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.559 0 CA-C-N 114.894 -1.048 . . . . 0.0 110.084 178.322 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 30.6 m120 -62.85 -27.27 69.22 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 120.775 0.321 . . . . 0.0 111.601 -177.485 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 6.3 ptp180 -78.72 0.68 25.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.361 -177.687 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 30' ' ' LEU . . . . . 0.415 ' HG ' ' O ' ' B' ' 27' ' ' VAL . 76.1 mt -79.76 -18.39 51.18 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.968 0.413 . . . . 0.0 110.936 -179.263 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 49.0 m -75.65 -2.09 27.76 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.614 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 72.8 m -87.06 149.51 24.67 Favored 'General case' 0 N--CA 1.44 -0.962 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.344 178.244 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.84 -16.03 60.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.954 0.407 . . . . 0.0 111.547 -177.92 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -57.66 -48.91 78.18 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.399 177.719 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 35' ' ' ALA . . . . . 0.668 ' O ' HG23 ' B' ' 39' ' ' VAL . . . -59.31 -53.08 62.34 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.667 -0.697 . . . . 0.0 109.972 177.085 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -51.11 -35.29 34.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.837 -177.646 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 42.2 t -70.49 -21.93 62.71 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.411 -177.735 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 38' ' ' ARG . . . . . 0.443 ' HD2' ' OE1' ' B' ' 82' ' ' GLU . 56.4 mtt180 -99.2 -47.64 5.12 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.947 0.88 . . . . 0.0 109.17 -178.724 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 39' ' ' VAL . . . . . 0.668 HG23 ' O ' ' B' ' 35' ' ' ALA . 34.3 t -59.85 -43.1 91.23 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-N 114.062 -1.426 . . . . 0.0 111.047 -178.268 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 40' ' ' SER . . . . . 0.456 ' HA ' HG23 ' B' ' 43' ' ' ILE . 35.9 t -78.05 -6.33 54.26 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.854 0.359 . . . . 0.0 111.411 -178.818 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 47.9 t -84.39 -13.78 51.27 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.505 0.669 . . . . 0.0 109.47 177.096 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 45.3 m-80 -121.65 1.58 10.03 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.625 -175.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 43' ' ' ILE . . . . . 0.456 HG23 ' HA ' ' B' ' 40' ' ' SER . 2.0 pt -61.92 -37.83 79.17 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.18 0 CA-C-O 120.957 0.408 . . . . 0.0 110.478 177.264 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -76.62 -15.89 59.71 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.033 -179.022 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -82.97 -53.28 5.95 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.999 -176.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 46' ' ' ILE . . . . . 0.484 HG21 ' HB3' ' B' ' 87' ' ' LEU . 48.8 mt -64.31 -32.33 57.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.121 -179.28 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 47' ' ' ALA . . . . . 0.693 ' HB1' HD13 ' A' ' 96' ' ' ILE . . . -63.56 -23.79 67.54 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.078 177.268 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 24.9 t -92.77 -50.53 5.53 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.134 -177.697 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -88.18 -18.23 56.04 Favored Glycine 0 CA--C 1.52 0.398 0 C-N-CA 120.773 -0.727 . . . . 0.0 113.626 -174.82 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 73.25 -80.24 0.74 Allowed Glycine 0 N--CA 1.451 -0.348 0 N-CA-C 111.775 -0.53 . . . . 0.0 111.775 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -116.92 -24.62 7.55 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-O 121.055 0.455 . . . . 0.0 110.195 179.565 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 5.3 t -74.6 -9.56 58.69 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.013 -0.54 . . . . 0.0 109.982 -177.829 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -91.36 -14.27 31.01 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.628 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 54' ' ' LEU . . . . . 0.423 ' N ' ' HD2' ' B' ' 55' ' ' PRO . 49.2 mt -55.59 -57.79 19.13 Favored Pre-proline 0 CA--C 1.534 0.353 0 CA-C-N 116.632 -0.258 . . . . 0.0 111.53 -179.291 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 55' ' ' PRO . . . . . 0.423 ' HD2' ' N ' ' B' ' 54' ' ' LEU . 16.8 Cg_endo -60.44 -28.25 86.38 Favored 'Trans proline' 0 C--N 1.35 0.62 0 C-N-CA 122.18 1.92 . . . . 0.0 112.288 179.758 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 8.0 m -76.4 -42.09 45.58 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.054 0.454 . . . . 0.0 110.485 179.096 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 53.5 t -85.68 -42.69 16.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.694 -171.2 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 58' ' ' ILE . . . . . 0.552 HG12 ' HG ' ' B' ' 83' ' ' LEU . 50.6 mt -55.85 -44.03 76.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 121.083 0.468 . . . . 0.0 110.308 178.538 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 75.1 m -69.59 -28.72 66.2 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.886 -178.825 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -67.57 -51.38 51.26 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-O 121.241 0.543 . . . . 0.0 110.699 176.503 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 54.8 mt -70.13 -42.29 79.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.918 -177.83 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 62' ' ' TYR . . . . . 0.455 ' O ' HG23 ' B' ' 66' ' ' VAL . 62.3 t80 -55.65 -52.23 64.52 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.604 -178.595 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 22.3 m -61.52 -33.03 73.12 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.773 179.678 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -70.24 -38.56 71.87 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.789 -0.719 . . . . 0.0 111.781 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 65' ' ' VAL . . . . . 0.672 HG12 HG11 ' B' ' 70' ' ' VAL . 92.9 t -71.96 -48.01 52.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-O 120.802 0.334 . . . . 0.0 111.181 178.45 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 66' ' ' VAL . . . . . 0.455 HG23 ' O ' ' B' ' 62' ' ' TYR . 96.2 t -58.76 -33.91 50.51 Favored 'Isoleucine or valine' 0 C--O 1.235 0.309 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.177 -178.188 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.94 -12.79 53.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.449 . . . . 0.0 112.031 179.51 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 34.7 t -80.02 -12.24 59.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.038 0.447 . . . . 0.0 110.769 179.302 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 101.72 2.98 52.8 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.51 -0.852 . . . . 0.0 112.27 178.478 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 70' ' ' VAL . . . . . 0.672 HG11 HG12 ' B' ' 65' ' ' VAL . 10.3 p -66.69 156.79 6.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 N-CA-C 110.376 -0.231 . . . . 0.0 110.376 179.11 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 10.4 t -71.77 155.16 40.76 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 110.209 -0.293 . . . . 0.0 110.209 179.129 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 3.0 p -56.14 -58.76 6.57 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 113.261 0.837 . . . . 0.0 113.261 -172.816 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -73.14 -25.92 61.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 122.229 -0.294 . . . . 0.0 110.652 -174.148 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -71.52 -35.66 70.79 Favored 'General case' 0 C--N 1.332 -0.161 0 N-CA-C 109.546 -0.538 . . . . 0.0 109.546 174.254 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 75' ' ' ALA . . . . . 0.581 ' HB2' HG13 ' B' ' 70' ' ' VAL . . . -62.7 -38.57 90.94 Favored 'General case' 0 C--O 1.223 -0.296 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.574 176.303 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 76' ' ' LEU . . . . . 0.482 HD23 ' HB3' ' B' ' 118' ' ' TYR . 2.8 tm? -52.65 -52.03 57.46 Favored 'General case' 0 CA--C 1.518 -0.261 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 177.15 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 77' ' ' ILE . . . . . 0.642 ' O ' ' HG ' ' B' ' 81' ' ' LEU . 42.1 mm -62.1 -54.97 27.36 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.906 -178.125 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 78' ' ' GLN . . . . . 0.463 ' HB2' ' HB1' ' B' ' 26' ' ' ALA . 24.1 tt0 -57.5 -47.84 80.84 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.323 -179.059 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.3 -40.64 97.92 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.818 -178.755 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 80' ' ' LEU . . . . . 0.665 ' O ' ' HG ' ' B' ' 84' ' ' LEU . 2.8 mm? -62.06 -43.41 98.9 Favored 'General case' 0 C--O 1.221 -0.414 0 CA-C-N 116.594 -0.275 . . . . 0.0 110.473 176.491 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 81' ' ' LEU . . . . . 0.654 HD22 HG11 ' A' ' 115' ' ' VAL . 15.7 mt -68.87 -40.6 79.18 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.597 0.237 . . . . 0.0 111.369 -177.486 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 82' ' ' GLU . . . . . 0.443 ' OE1' ' HD2' ' B' ' 38' ' ' ARG . 50.2 mt-10 -60.85 -37.4 81.97 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.243 0.544 . . . . 0.0 110.019 172.32 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 83' ' ' LEU . . . . . 0.552 ' HG ' HG12 ' B' ' 58' ' ' ILE . 3.4 tm? -63.21 -44.17 96.09 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.421 176.172 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 84' ' ' LEU . . . . . 0.665 ' HG ' ' O ' ' B' ' 80' ' ' LEU . 13.0 mt -64.38 -16.76 62.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.004 -177.106 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 28.1 m -89.87 -28.16 19.43 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 121.035 0.445 . . . . 0.0 110.82 -174.54 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 86' ' ' ALA . . . . . 0.44 ' O ' HG13 ' B' ' 90' ' ' VAL . . . -71.0 -42.74 69.22 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.23 0.538 . . . . 0.0 110.76 -178.102 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 87' ' ' LEU . . . . . 0.52 HD12 ' N ' ' B' ' 88' ' ' VAL . 1.6 pp -82.18 -22.74 35.87 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.604 -0.725 . . . . 0.0 112.829 -171.749 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 88' ' ' VAL . . . . . 0.52 ' N ' HD12 ' B' ' 87' ' ' LEU . 17.2 m -86.37 -21.88 7.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 C-N-CA 119.97 -0.692 . . . . 0.0 110.571 177.118 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 89' ' ' HIS . . . . . . . . . . . . . 72.3 t60 -71.41 -37.42 71.52 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.196 178.294 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 90' ' ' VAL . . . . . 0.489 HG22 ' O ' ' B' ' 87' ' ' LEU . 23.7 m -64.4 -27.24 42.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.464 -175.366 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 91' ' ' LEU . . . . . 0.617 ' HA ' ' HB3' ' B' ' 94' ' ' ALA . 3.3 mm? -64.41 -26.18 68.34 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.316 -179.618 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 36.9 t -62.32 -27.62 69.16 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.605 -179.311 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 93' ' ' SER . . . . . 0.515 ' HB2' HG12 ' A' ' 99' ' ' VAL . 19.7 m -117.5 12.61 14.2 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-O 121.241 0.543 . . . . 0.0 110.505 178.632 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 94' ' ' ALA . . . . . 0.617 ' HB3' ' HA ' ' B' ' 91' ' ' LEU . . . -108.76 98.36 7.87 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.427 179.028 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 5.1 t -76.81 87.39 3.41 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 96' ' ' ILE . . . . . 0.72 HD11 HG13 ' B' ' 99' ' ' VAL . 17.0 tt -62.59 148.38 10.86 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.314 0 CA-C-N 115.52 -0.763 . . . . 0.0 111.667 -178.421 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 97' ' ' GLY . . . . . . . . . . . . . . . -93.88 -85.98 1.62 Allowed Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.867 -0.682 . . . . 0.0 111.731 178.341 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 98' ' ' ASN . . . . . . . . . . . . . 11.2 t30 -150.88 123.54 8.54 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.874 0.369 . . . . 0.0 110.767 177.011 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 99' ' ' VAL . . . . . 0.72 HG13 HD11 ' B' ' 96' ' ' ILE . 4.8 m -98.36 152.95 4.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.901 179.807 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 100' ' ' SER . . . . . . . . . . . . . 49.5 m -119.19 163.07 17.62 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.453 178.849 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 6.9 p -79.91 -11.1 59.83 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.363 0.601 . . . . 0.0 111.448 -178.445 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 48.9 t -83.83 107.1 14.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.397 -174.191 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . 122.67 -10.08 9.13 Favored Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.716 -0.754 . . . . 0.0 113.296 173.523 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 104' ' ' VAL . . . . . 0.457 ' O ' HD12 ' B' ' 108' ' ' LEU . 26.6 t -58.31 -36.62 58.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 175.871 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -55.41 -43.92 75.71 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.14 -0.936 . . . . 0.0 110.379 177.136 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 14.6 m -69.65 -37.22 76.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.443 -0.799 . . . . 0.0 111.083 -178.818 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 48.8 m -62.84 -35.03 78.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.074 0.464 . . . . 0.0 110.636 179.78 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 108' ' ' LEU . . . . . 0.51 HD21 HG21 ' A' ' 39' ' ' VAL . 1.1 mt -61.55 -24.76 66.86 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.826 -0.624 . . . . 0.0 111.599 178.177 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 109' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -66.78 -28.18 68.19 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.104 0.478 . . . . 0.0 110.461 178.661 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 110' ' ' VAL . . . . . . . . . . . . . 20.7 t -87.81 -35.21 7.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.246 -175.719 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 111' ' ' VAL . . . . . 0.506 HG12 ' O ' ' B' ' 108' ' ' LEU . 7.9 p -63.34 -29.75 48.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 121.26 0.552 . . . . 0.0 110.179 -179.109 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 112' ' ' GLN . . . . . 0.467 ' HG3' ' O ' ' B' ' 108' ' ' LEU . 25.3 mt-30 -70.45 -23.41 62.7 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 121.344 0.592 . . . . 0.0 111.001 -179.181 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 113' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -84.17 -34.12 24.07 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.45 -0.795 . . . . 0.0 110.724 -173.542 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 4.8 p -83.96 -42.45 16.25 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.416 -0.811 . . . . 0.0 112.443 -172.045 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 115' ' ' VAL . . . . . 0.506 HG12 ' O ' ' B' ' 111' ' ' VAL . 12.2 p -105.38 -20.16 6.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 121.005 0.431 . . . . 0.0 110.963 -175.403 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 116' ' ' GLY . . . . . . . . . . . . . . . -62.24 -23.61 64.45 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 121.083 -0.58 . . . . 0.0 112.598 -179.416 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -88.09 5.9 38.9 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.555 0.217 . . . . 0.0 111.467 -179.291 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 118' ' ' TYR . . . . . 0.482 ' HB3' HD23 ' B' ' 76' ' ' LEU . 73.2 m-85 -116.9 -32.61 5.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.846 0.355 . . . . 0.0 110.843 177.308 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 119' ' ' VAL . . . . . 0.419 HG21 HG21 ' A' ' 27' ' ' VAL . 27.4 m -80.2 -1.86 5.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.994 0.426 . . . . 0.0 111.18 178.679 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.184 0 CA-C-O 118.184 -1.342 . . . . 0.0 110.976 177.163 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.407 ' HB3' ' O ' ' B' ' 119' ' ' VAL . 16.3 m . . . . . 0 N--CA 1.445 -0.709 0 CA-C-O 120.953 0.406 . . . . 0.0 110.971 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.6 ' CE1' ' HA ' ' A' ' 74' ' ' GLU . 0.1 OUTLIER -148.8 117.84 6.76 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.358 177.902 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -79.7 -23.58 42.29 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 116.134 -0.484 . . . . 0.0 112.07 -175.242 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.2 -30.62 78.3 Favored Glycine 0 CA--C 1.509 -0.343 0 C-N-CA 120.895 -0.669 . . . . 0.0 111.936 -179.288 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.503 ' HB1' ' HB2' ' A' ' 78' ' ' GLN . . . -68.68 -14.55 63.09 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.097 0.475 . . . . 0.0 110.237 177.276 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.472 HG22 ' CD1' ' A' ' 81' ' ' LEU . 3.4 t -95.34 -44.29 13.1 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.438 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.402 -179.37 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 24.3 m120 -64.22 -32.11 73.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.093 0.473 . . . . 0.0 110.174 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 78.3 ttt180 -65.5 -12.15 50.0 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.512 -178.89 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.752 HD11 ' HB3' ' A' ' 81' ' ' LEU . 74.5 mt -68.66 -27.83 66.33 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.021 0.439 . . . . 0.0 110.968 -179.729 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 76.0 p -81.53 12.02 4.12 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.776 -179.406 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 34.6 t -94.82 162.67 13.66 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.013 -0.54 . . . . 0.0 109.902 176.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.86 -19.75 65.99 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.96 179.803 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -55.73 -62.72 1.5 Allowed 'General case' 0 C--O 1.233 0.236 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.663 179.182 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.469 ' O ' HG23 ' A' ' 39' ' ' VAL . . . -60.42 -49.84 75.97 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.065 -179.069 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -51.61 -36.69 46.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.539 -0.3 . . . . 0.0 111.514 -177.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 47.9 m -75.39 -22.8 57.17 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.616 0.598 . . . . 0.0 112.616 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 53.2 mtm-85 -95.31 -49.5 5.44 Favored 'General case' 0 CA--C 1.512 -0.483 0 CA-C-O 121.419 0.628 . . . . 0.0 109.768 -178.41 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.528 HG21 HD21 ' B' ' 108' ' ' LEU . 60.3 t -59.12 -32.73 48.6 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.837 0 CA-C-N 114.511 -1.222 . . . . 0.0 111.394 -177.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.493 ' HB2' ' HB3' ' B' ' 101' ' ' SER . 33.4 p -72.62 -12.8 61.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.962 0.411 . . . . 0.0 111.612 -179.422 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 35.3 t -90.91 -18.55 24.57 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.719 0.771 . . . . 0.0 109.124 176.613 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ASN . . . . . 0.478 ' OD1' HD11 ' A' ' 61' ' ' ILE . 9.4 m120 -90.77 -27.91 18.6 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 114.878 -1.056 . . . . 0.0 110.141 -174.155 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.538 HG13 ' N ' ' A' ' 44' ' ' ALA . 5.3 pt -56.05 -41.32 68.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.377 -0.828 . . . . 0.0 111.654 -178.456 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.538 ' N ' HG13 ' A' ' 43' ' ' ILE . . . -79.84 -11.21 59.83 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.0 0.428 . . . . 0.0 110.861 -176.691 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -90.33 -51.23 5.54 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.423 -179.193 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.441 HG21 ' HB3' ' A' ' 87' ' ' LEU . 55.3 mt -67.66 -33.41 61.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.597 -178.932 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.696 ' HB1' HD13 ' B' ' 96' ' ' ILE . . . -62.23 -24.33 67.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.138 0.494 . . . . 0.0 110.763 177.404 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 43.6 t -92.37 -50.36 5.68 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.114 -178.466 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -83.41 -24.32 51.35 Favored Glycine 0 CA--C 1.519 0.284 0 C-N-CA 120.814 -0.708 . . . . 0.0 113.441 -174.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 73.13 -73.68 1.05 Allowed Glycine 0 C--O 1.226 -0.368 0 N-CA-C 111.632 -0.587 . . . . 0.0 111.632 -178.523 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -120.99 -25.94 5.26 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.03 0.443 . . . . 0.0 110.52 178.83 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 32.9 t -71.58 -14.69 62.16 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.728 -176.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -86.69 -17.7 33.08 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.636 -178.066 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.516 HD11 HG11 ' B' ' 88' ' ' VAL . 41.0 mt -55.63 -58.7 14.25 Favored Pre-proline 0 CA--C 1.534 0.348 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.977 -176.517 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.421 ' HD2' ' N ' ' A' ' 54' ' ' LEU . 20.3 Cg_endo -61.26 -20.84 69.8 Favored 'Trans proline' 0 C--N 1.356 0.927 0 C-N-CA 122.134 1.889 . . . . 0.0 112.52 -176.454 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 15.0 m -89.23 -44.54 10.2 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.046 0.451 . . . . 0.0 110.803 -179.363 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.431 HG11 ' HB3' ' A' ' 42' ' ' ASN . 70.8 t -75.65 -39.18 39.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.388 -174.011 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.539 HG12 ' HG ' ' A' ' 83' ' ' LEU . 64.5 mt -58.64 -42.36 84.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.085 176.587 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 35.0 t -65.07 -42.02 94.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.43 . . . . 0.0 109.959 178.757 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 78.6 m-20 -56.23 -51.03 69.58 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.202 179.08 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.478 HD11 ' OD1' ' A' ' 42' ' ' ASN . 36.7 mt -72.16 -45.69 61.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.067 -178.578 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.456 ' O ' HG23 ' A' ' 66' ' ' VAL . 60.3 t80 -55.91 -54.03 49.62 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-O 120.471 0.177 . . . . 0.0 110.935 -177.004 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 20.2 t -59.66 -34.12 72.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.02 0.438 . . . . 0.0 109.929 -179.706 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -67.65 -44.53 81.47 Favored Glycine 0 C--N 1.332 0.325 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.898 179.677 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.689 HG12 HG11 ' A' ' 70' ' ' VAL . 58.5 t -68.88 -41.07 81.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 120.784 0.326 . . . . 0.0 110.887 179.615 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.456 HG23 ' O ' ' A' ' 62' ' ' TYR . 91.8 t -62.72 -38.33 81.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.691 0.282 . . . . 0.0 110.762 179.286 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.35 -13.61 62.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.296 178.73 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.409 ' HB3' ' O ' ' A' ' 65' ' ' VAL . 32.8 t -76.76 -18.23 58.58 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.611 179.049 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 102.26 25.72 7.71 Favored Glycine 0 C--N 1.333 0.391 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.919 178.182 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.689 HG11 HG12 ' A' ' 65' ' ' VAL . 12.7 p -89.68 163.4 2.36 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 N-CA-C 110.225 -0.287 . . . . 0.0 110.225 -179.389 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 37.9 t -68.43 147.98 51.29 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.735 -0.468 . . . . 0.0 109.735 174.319 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 5.1 m -57.25 -49.58 75.59 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.128 0.418 . . . . 0.0 112.128 -174.531 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -74.22 -31.41 62.61 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.802 0.334 . . . . 0.0 110.487 -175.02 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.6 ' HA ' ' CE1' ' A' ' 23' ' ' TYR . 37.7 tt0 -71.55 -31.36 66.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.1 0.476 . . . . 0.0 109.72 177.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.51 ' HB2' HG13 ' A' ' 70' ' ' VAL . . . -61.67 -37.93 85.88 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.635 -0.711 . . . . 0.0 111.133 177.424 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.466 HD23 ' HB3' ' A' ' 118' ' ' TYR . 3.0 tm? -55.53 -45.26 77.19 Favored 'General case' 0 CA--C 1.52 -0.21 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 179.216 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.664 ' O ' ' HG ' ' A' ' 81' ' ' LEU . 42.1 mm -65.33 -56.21 16.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.815 -178.465 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' GLN . . . . . 0.503 ' HB2' ' HB1' ' A' ' 26' ' ' ALA . 17.8 tt0 -57.91 -46.74 84.52 Favored 'General case' 0 N--CA 1.463 0.212 0 C-N-CA 121.157 -0.217 . . . . 0.0 111.304 -179.762 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.81 -37.51 82.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.959 0.409 . . . . 0.0 110.794 -178.767 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.58 ' O ' HD23 ' A' ' 84' ' ' LEU . 6.0 mt -73.67 -41.34 62.81 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.951 178.024 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.752 ' HB3' HD11 ' A' ' 30' ' ' LEU . 93.4 mt -59.35 -42.32 91.28 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.883 0.373 . . . . 0.0 110.828 178.59 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -66.43 -35.25 79.83 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.533 175.344 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.539 ' HG ' HG12 ' A' ' 58' ' ' ILE . 3.5 tm? -66.05 -42.55 89.36 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-O 121.311 0.577 . . . . 0.0 109.684 177.526 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.58 HD23 ' O ' ' A' ' 80' ' ' LEU . 4.0 mm? -66.54 -13.27 60.74 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.251 -0.886 . . . . 0.0 111.709 -179.716 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 48.6 m -91.81 -32.13 15.48 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 120.967 0.413 . . . . 0.0 110.577 -176.92 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.423 ' HB2' HG13 ' A' ' 39' ' ' VAL . . . -68.56 -47.46 66.79 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.987 -177.522 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.506 HD12 ' N ' ' A' ' 88' ' ' VAL . 1.0 OUTLIER -76.28 -24.21 54.43 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 113.046 0.758 . . . . 0.0 113.046 -171.566 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.506 ' N ' HD12 ' A' ' 87' ' ' LEU . 19.5 m -85.41 -21.31 7.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 C-N-CA 120.093 -0.643 . . . . 0.0 110.428 177.043 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 70.7 t60 -71.78 -37.22 70.48 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.29 178.382 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.484 HG22 ' O ' ' A' ' 87' ' ' LEU . 16.6 m -64.41 -26.12 39.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 C-N-CA 120.699 -0.401 . . . . 0.0 111.178 -175.123 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.632 ' HA ' ' HB3' ' A' ' 94' ' ' ALA . 3.6 mm? -66.94 -22.07 65.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.037 179.223 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 26.2 t -59.76 -29.52 68.23 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-O 120.79 0.329 . . . . 0.0 110.684 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' SER . . . . . 0.411 ' HB3' HG12 ' B' ' 99' ' ' VAL . 8.5 t -123.2 13.28 9.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.408 0.623 . . . . 0.0 109.915 -179.683 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.632 ' HB3' ' HA ' ' A' ' 91' ' ' LEU . . . -101.93 98.0 8.28 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.618 179.573 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 33.2 t -72.63 84.57 1.16 Allowed 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.169 -0.469 . . . . 0.0 109.789 176.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.744 HD13 ' HB1' ' B' ' 47' ' ' ALA . 18.6 tt -68.0 142.79 15.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.703 178.58 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -82.5 -97.16 0.5 Allowed Glycine 0 N--CA 1.447 -0.605 0 C-N-CA 120.595 -0.812 . . . . 0.0 111.586 178.617 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 11.3 t30 -145.23 124.73 13.15 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.869 0.366 . . . . 0.0 110.299 176.63 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.588 HG12 ' HB2' ' B' ' 93' ' ' SER . 15.4 m -100.26 151.95 4.95 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.493 -179.748 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 48.7 m -117.16 150.22 39.07 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.459 -178.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' SER . . . . . 0.433 ' HB3' ' HB2' ' B' ' 40' ' ' SER . 47.2 m -80.46 44.38 0.7 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.451 -177.399 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 7.7 p -136.22 130.81 48.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-O 121.081 0.467 . . . . 0.0 110.423 -178.024 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 101.11 -12.3 58.8 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.829 -0.7 . . . . 0.0 112.504 178.923 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 21.2 t -57.23 -33.51 43.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.716 0.293 . . . . 0.0 110.318 178.209 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -50.8 -42.37 58.03 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.595 177.696 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 15.5 m -77.12 -39.11 50.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.35 -178.214 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 31.8 m -59.75 -35.42 74.56 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-O 121.148 0.499 . . . . 0.0 110.57 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.568 HD21 HG21 ' B' ' 39' ' ' VAL . 2.9 mt -61.47 -26.1 67.68 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.517 -0.765 . . . . 0.0 111.754 179.268 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -72.95 -23.7 60.71 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.073 0.464 . . . . 0.0 110.325 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 33.5 t -85.07 -39.47 14.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.934 -176.741 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.501 HG12 ' O ' ' A' ' 108' ' ' LEU . 11.3 p -60.58 -29.43 44.7 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.332 0 CA-C-O 121.301 0.572 . . . . 0.0 110.535 -178.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 112' ' ' GLN . . . . . 0.514 ' HG3' ' O ' ' A' ' 108' ' ' LEU . 25.4 mt-30 -67.39 -21.52 65.6 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.29 -178.499 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -85.62 -26.33 26.12 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.317 0.58 . . . . 0.0 110.809 -173.921 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 6.7 m -83.82 -44.85 13.92 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.709 -173.604 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.61 HG11 HD22 ' B' ' 81' ' ' LEU . 9.6 p -107.98 -21.41 5.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-O 121.045 0.45 . . . . 0.0 111.376 -173.106 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -57.82 -28.88 60.98 Favored Glycine 0 C--O 1.229 -0.205 0 CA-C-N 115.919 -0.582 . . . . 0.0 113.192 -176.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -78.47 -14.81 59.19 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-O 120.606 0.241 . . . . 0.0 111.532 -178.637 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 118' ' ' TYR . . . . . 0.466 ' HB3' HD23 ' A' ' 76' ' ' LEU . 82.7 m-85 -97.08 -35.43 10.81 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-O 121.037 0.446 . . . . 0.0 110.376 -179.39 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 33.5 m . . . . . 0 C--N 1.323 -0.551 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.963 178.85 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 8.8 m . . . . . 0 N--CA 1.443 -0.802 0 N-CA-C 110.243 -0.28 . . . . 0.0 110.243 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -148.29 126.18 11.96 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.332 -178.891 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -82.12 -15.16 54.34 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.446 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.14 -30.49 77.92 Favored Glycine 0 CA--C 1.509 -0.296 0 C-N-CA 120.996 -0.621 . . . . 0.0 111.851 179.121 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 26' ' ' ALA . . . . . 0.515 ' HB1' ' HB2' ' B' ' 78' ' ' GLN . . . -78.16 -0.24 27.57 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.072 0.463 . . . . 0.0 110.913 178.642 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 27' ' ' VAL . . . . . 0.512 HG22 ' CD1' ' B' ' 81' ' ' LEU . 2.6 t -110.45 -49.27 6.68 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.441 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.021 -177.659 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 28' ' ' ASN . . . . . 0.408 ' HA ' ' NE2' ' A' ' 112' ' ' GLN . 2.3 p-10 -74.15 0.79 12.84 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 120.382 -0.527 . . . . 0.0 111.079 -177.32 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 80.4 ttt180 -93.69 -5.01 49.5 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.35 0.595 . . . . 0.0 109.962 175.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 30' ' ' LEU . . . . . 0.545 HD11 ' HB3' ' B' ' 81' ' ' LEU . 84.9 mt -74.42 -22.59 59.07 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.962 -177.817 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 59.8 p -81.23 6.8 12.97 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.422 179.797 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 41.5 t -89.04 156.35 18.9 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.572 -0.74 . . . . 0.0 109.756 177.896 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.55 -21.98 63.15 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.791 0.329 . . . . 0.0 111.116 -179.809 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -52.53 -63.33 1.18 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.958 178.894 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 35' ' ' ALA . . . . . 0.412 ' O ' HG23 ' B' ' 39' ' ' VAL . . . -61.44 -46.12 91.42 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.104 -178.482 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -58.66 -24.28 60.89 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.676 0.274 . . . . 0.0 111.737 -177.047 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 28.6 t -88.31 -16.72 32.35 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.739 179.663 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 58.4 mtm-85 -101.61 -49.96 3.86 Favored 'General case' 0 CA--C 1.513 -0.447 0 CA-C-O 121.49 0.662 . . . . 0.0 109.729 -179.19 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 39' ' ' VAL . . . . . 0.568 HG21 HD21 ' A' ' 108' ' ' LEU . 67.6 t -58.31 -31.66 43.07 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.756 0 CA-C-N 114.604 -1.18 . . . . 0.0 111.472 -178.254 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 40' ' ' SER . . . . . 0.433 ' HB2' ' HB3' ' A' ' 101' ' ' SER . 63.8 p -78.05 -7.05 56.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.898 0.38 . . . . 0.0 111.276 -177.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 40.8 t -94.19 -21.5 19.03 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.756 0.788 . . . . 0.0 109.068 174.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 42' ' ' ASN . . . . . 0.458 ' OD1' HD11 ' B' ' 61' ' ' ILE . 10.2 m120 -86.34 -28.3 23.75 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 114.81 -1.086 . . . . 0.0 109.81 -173.113 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 43' ' ' ILE . . . . . 0.531 HG13 ' N ' ' B' ' 44' ' ' ALA . 5.4 pt -55.11 -42.36 64.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 114.976 -1.011 . . . . 0.0 111.966 -176.891 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 44' ' ' ALA . . . . . 0.531 ' N ' HG13 ' B' ' 43' ' ' ILE . . . -80.18 -12.46 59.64 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.174 0.511 . . . . 0.0 111.014 -175.11 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -90.31 -50.44 5.97 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.041 -179.332 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 54.2 mt -65.42 -33.71 65.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.433 -179.776 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 47' ' ' ALA . . . . . 0.744 ' HB1' HD13 ' A' ' 96' ' ' ILE . . . -65.05 -17.03 64.1 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.612 179.457 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 24.7 t -99.37 -39.03 8.59 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.782 0.325 . . . . 0.0 111.05 -177.716 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -99.53 -22.03 13.46 Favored Glycine 0 CA--C 1.518 0.25 0 C-N-CA 120.445 -0.884 . . . . 0.0 113.539 -175.096 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 76.2 -81.73 1.05 Allowed Glycine 0 N--CA 1.448 -0.562 0 N-CA-C 111.132 -0.787 . . . . 0.0 111.132 -178.237 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -115.17 -20.27 10.48 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-O 121.325 0.584 . . . . 0.0 109.84 177.055 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 8.4 t -74.72 -6.92 51.49 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.401 -0.818 . . . . 0.0 110.415 -176.829 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -101.03 -11.39 19.7 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.904 179.759 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 54' ' ' LEU . . . . . 0.437 HD11 HG11 ' A' ' 88' ' ' VAL . 59.1 mt -56.99 -56.16 36.3 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.894 -177.082 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 55' ' ' PRO . . . . . 0.436 ' HD2' ' N ' ' B' ' 54' ' ' LEU . 19.7 Cg_endo -62.02 -25.94 78.08 Favored 'Trans proline' 0 C--N 1.349 0.588 0 C-N-CA 121.85 1.7 . . . . 0.0 112.558 -178.924 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 15.3 m -78.05 -36.66 48.17 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.326 0.584 . . . . 0.0 110.601 178.635 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 57' ' ' VAL . . . . . 0.416 HG11 ' HB3' ' B' ' 42' ' ' ASN . 57.0 t -90.56 -44.78 14.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.567 -171.356 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 58' ' ' ILE . . . . . 0.507 HG12 ' HG ' ' B' ' 83' ' ' LEU . 51.6 mt -56.41 -43.19 76.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 121.01 0.433 . . . . 0.0 110.982 -179.682 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 74.3 m -68.97 -28.41 66.59 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.89 -177.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 80.1 m-20 -68.36 -45.02 73.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.986 0.422 . . . . 0.0 110.543 175.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 61' ' ' ILE . . . . . 0.458 HD11 ' OD1' ' B' ' 42' ' ' ASN . 40.1 mt -71.18 -45.74 69.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.036 179.366 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 62' ' ' TYR . . . . . 0.433 ' O ' HG23 ' B' ' 66' ' ' VAL . 52.3 t80 -56.78 -50.61 71.78 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.866 -177.077 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 63.1 m -60.56 -30.71 69.95 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.931 0.396 . . . . 0.0 110.683 178.65 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -70.93 -43.74 57.31 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.797 -0.716 . . . . 0.0 111.852 179.47 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 65' ' ' VAL . . . . . 0.669 HG12 HG11 ' B' ' 70' ' ' VAL . 79.3 t -68.43 -45.85 81.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-O 120.783 0.325 . . . . 0.0 111.185 -179.414 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 66' ' ' VAL . . . . . 0.433 HG23 ' O ' ' B' ' 62' ' ' TYR . 88.5 t -60.85 -37.07 75.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.251 -178.889 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.33 -15.25 62.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.779 179.724 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 39.3 t -74.47 -18.64 60.6 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.93 0.395 . . . . 0.0 110.656 179.041 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 95.97 35.04 5.7 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.609 -0.805 . . . . 0.0 112.23 -178.805 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 70' ' ' VAL . . . . . 0.669 HG11 HG12 ' B' ' 65' ' ' VAL . 14.5 p -97.36 161.51 2.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 110.076 -0.342 . . . . 0.0 110.076 179.661 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 71' ' ' SER . . . . . 0.401 ' N ' HG22 ' B' ' 70' ' ' VAL . 34.3 t -61.96 144.82 54.5 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 110.074 -0.343 . . . . 0.0 110.074 175.213 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 5.3 p -60.55 -47.08 87.76 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 111.924 0.342 . . . . 0.0 111.924 -175.902 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -70.91 -30.83 67.28 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.891 0.376 . . . . 0.0 110.124 -178.27 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -76.64 -32.6 58.1 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.129 0.49 . . . . 0.0 110.008 179.735 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 75' ' ' ALA . . . . . 0.583 ' HB2' HG13 ' B' ' 70' ' ' VAL . . . -61.55 -39.46 91.16 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.67 -0.695 . . . . 0.0 111.304 177.862 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 76' ' ' LEU . . . . . 0.405 ' O ' ' HB2' ' B' ' 80' ' ' LEU . 2.7 tm? -53.99 -39.97 66.53 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.227 178.649 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 77' ' ' ILE . . . . . 0.627 ' O ' ' HG ' ' B' ' 81' ' ' LEU . 43.0 mm -69.63 -55.52 14.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.223 -178.568 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 78' ' ' GLN . . . . . 0.515 ' HB2' ' HB1' ' B' ' 26' ' ' ALA . 30.9 tt0 -57.86 -47.03 83.92 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 120.616 0.246 . . . . 0.0 111.162 179.373 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.5 -35.67 76.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.796 -178.85 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 80' ' ' LEU . . . . . 0.561 ' O ' HD23 ' B' ' 84' ' ' LEU . 4.0 mt -75.93 -42.23 49.41 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.218 178.666 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 81' ' ' LEU . . . . . 0.627 ' HG ' ' O ' ' B' ' 77' ' ' ILE . 20.4 mt -65.19 -36.88 85.58 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 120.748 0.309 . . . . 0.0 110.915 -177.862 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 -63.47 -35.94 82.09 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.195 171.72 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 83' ' ' LEU . . . . . 0.507 ' HG ' HG12 ' B' ' 58' ' ' ILE . 3.4 tm? -67.27 -41.85 84.84 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-O 121.172 0.511 . . . . 0.0 109.688 177.686 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 84' ' ' LEU . . . . . 0.561 HD23 ' O ' ' B' ' 80' ' ' LEU . 4.2 mm? -66.54 -12.67 58.81 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.438 -0.801 . . . . 0.0 111.736 -179.741 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 85' ' ' SER . . . . . 0.448 ' OG ' HG11 ' A' ' 111' ' ' VAL . 47.7 m -91.71 -31.99 15.6 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 120.978 0.418 . . . . 0.0 110.408 -177.181 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 86' ' ' ALA . . . . . 0.426 ' HB2' HG13 ' B' ' 39' ' ' VAL . . . -69.11 -46.03 68.72 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.9 -176.593 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 87' ' ' LEU . . . . . 0.464 HD22 HD13 ' A' ' 87' ' ' LEU . 1.4 pp -77.34 -18.04 57.76 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.494 -0.776 . . . . 0.0 113.087 -171.692 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 88' ' ' VAL . . . . . 0.516 HG11 HD11 ' A' ' 54' ' ' LEU . 15.6 m -90.6 -21.84 6.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 C-N-CA 120.097 -0.641 . . . . 0.0 110.677 176.584 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 89' ' ' HIS . . . . . . . . . . . . . 74.7 t60 -71.4 -35.11 70.9 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.051 178.019 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 90' ' ' VAL . . . . . 0.54 ' HA ' HG11 ' A' ' 99' ' ' VAL . 22.2 m -65.18 -28.53 44.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.751 -176.437 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 91' ' ' LEU . . . . . 0.633 ' HA ' ' HB3' ' B' ' 94' ' ' ALA . 3.1 mm? -62.82 -23.35 67.23 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.924 -179.756 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 22.7 t -67.19 -20.37 65.7 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.065 -179.725 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 93' ' ' SER . . . . . 0.588 ' HB2' HG12 ' A' ' 99' ' ' VAL . 17.9 m -124.27 12.43 8.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.357 0.599 . . . . 0.0 110.169 177.238 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 94' ' ' ALA . . . . . 0.633 ' HB3' ' HA ' ' B' ' 91' ' ' LEU . . . -111.0 101.13 9.71 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.048 -178.353 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 22.7 t -78.0 89.54 4.16 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 176.695 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 96' ' ' ILE . . . . . 0.696 HD13 ' HB1' ' A' ' 47' ' ' ALA . 20.1 tt -67.47 144.07 14.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.268 -179.222 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 97' ' ' GLY . . . . . . . . . . . . . . . -95.73 -116.93 3.15 Favored Glycine 0 N--CA 1.445 -0.722 0 C-N-CA 120.864 -0.684 . . . . 0.0 112.408 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 98' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -112.42 103.65 11.76 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.064 0.459 . . . . 0.0 110.591 -176.526 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 99' ' ' VAL . . . . . 0.531 ' CG1' HD11 ' B' ' 96' ' ' ILE . 14.4 m -89.29 163.82 2.31 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.35 175.651 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 100' ' ' SER . . . . . . . . . . . . . 66.5 m -142.67 157.65 44.46 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.211 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 101' ' ' SER . . . . . 0.493 ' HB3' ' HB2' ' A' ' 40' ' ' SER . 51.0 m -74.72 -14.42 60.72 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.332 0.587 . . . . 0.0 111.191 -177.536 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 44.4 t -77.88 101.2 3.48 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.944 -176.047 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . 129.35 -10.26 6.17 Favored Glycine 0 N--CA 1.448 -0.503 0 CA-C-N 115.758 -0.656 . . . . 0.0 112.952 176.779 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 104' ' ' VAL . . . . . . . . . . . . . 29.6 t -59.61 -35.36 58.99 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.272 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 175.146 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -49.47 -41.41 40.3 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.044 -0.98 . . . . 0.0 110.811 175.364 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 20.5 m -81.67 -35.11 30.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.579 -176.646 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 23.9 m -63.2 -38.13 89.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.143 0.497 . . . . 0.0 111.072 -179.677 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 108' ' ' LEU . . . . . 0.605 ' O ' HG12 ' B' ' 111' ' ' VAL . 4.5 mt -57.81 -33.87 69.04 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.442 -0.799 . . . . 0.0 111.964 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 109' ' ' ASN . . . . . . . . . . . . . 19.0 m-80 -69.39 -20.35 63.81 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.817 0.341 . . . . 0.0 111.406 -179.385 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 110' ' ' VAL . . . . . . . . . . . . . 40.1 t -87.88 -38.8 12.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.024 -178.153 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 111' ' ' VAL . . . . . 0.605 HG12 ' O ' ' B' ' 108' ' ' LEU . 7.7 p -61.39 -27.53 42.11 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.274 0 CA-C-O 121.519 0.676 . . . . 0.0 110.303 -179.059 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 112' ' ' GLN . . . . . 0.512 ' HG3' ' O ' ' B' ' 108' ' ' LEU . 24.7 mt-30 -67.15 -22.35 65.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.295 -0.866 . . . . 0.0 111.242 -179.463 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 113' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -79.88 -38.8 31.85 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.599 -175.583 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 4.2 m -77.89 -41.52 36.38 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.311 -0.858 . . . . 0.0 112.151 -169.826 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 115' ' ' VAL . . . . . . . . . . . . . 8.7 p -108.36 -19.67 6.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-O 120.851 0.358 . . . . 0.0 111.364 -173.81 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 116' ' ' GLY . . . . . . . . . . . . . . . -57.53 -26.38 56.87 Favored Glycine 0 C--O 1.227 -0.314 0 CA-C-N 116.095 -0.502 . . . . 0.0 113.149 -178.359 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -87.28 6.53 32.89 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 111.899 0.333 . . . . 0.0 111.899 -178.086 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 118' ' ' TYR . . . . . . . . . . . . . 66.4 m-85 -119.86 -27.63 5.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.172 0.51 . . . . 0.0 110.428 176.781 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 119' ' ' VAL . . . . . 0.435 HG21 HG21 ' A' ' 27' ' ' VAL . 31.0 m -91.26 1.99 8.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.286 177.742 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.112 -1.382 . . . . 0.0 111.805 179.277 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 19.2 m . . . . . 0 N--CA 1.442 -0.841 0 CA-C-O 120.678 0.275 . . . . 0.0 110.418 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.521 ' CE1' ' HA ' ' A' ' 74' ' ' GLU . 0.1 OUTLIER -148.4 117.88 6.97 Favored 'General case' 0 N--CA 1.446 -0.629 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 -179.937 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -80.44 -23.69 40.12 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.798 -176.326 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.31 -29.73 75.98 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.805 -0.712 . . . . 0.0 111.623 -178.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.501 ' HB1' ' HB2' ' A' ' 78' ' ' GLN . . . -70.0 -9.63 55.89 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.227 0.537 . . . . 0.0 110.219 176.85 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.503 HG22 ' CD1' ' A' ' 81' ' ' LEU . 2.9 t -102.81 -46.93 10.94 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.464 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.461 179.547 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 27.2 m120 -61.62 -30.39 70.67 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-O 121.287 0.565 . . . . 0.0 110.282 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 78.8 ttt180 -67.74 -14.13 62.69 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.247 -0.888 . . . . 0.0 111.371 -179.499 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.51 ' HB3' HD12 ' B' ' 108' ' ' LEU . 96.0 mt -66.65 -25.65 66.67 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.514 -177.627 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 31.8 p -80.99 10.91 4.46 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.281 0.562 . . . . 0.0 111.09 -179.713 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 28.2 t -93.69 159.62 15.13 Favored 'General case' 0 N--CA 1.449 -0.51 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 175.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.97 -21.28 63.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.236 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -52.21 -59.83 3.93 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.163 178.877 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.606 ' O ' HG23 ' A' ' 39' ' ' VAL . . . -61.24 -57.99 10.13 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.246 -179.43 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.88 -31.18 16.64 Favored 'General case' 0 N--CA 1.464 0.259 0 O-C-N 123.247 0.342 . . . . 0.0 111.815 -176.556 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 28.5 t -74.8 -26.77 59.96 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.698 -179.133 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.535 ' HD2' ' OE1' ' A' ' 82' ' ' GLU . 60.1 mtt180 -95.41 -46.04 6.87 Favored 'General case' 0 CA--C 1.516 -0.34 0 CA-C-O 121.944 0.878 . . . . 0.0 109.595 -177.668 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.606 HG23 ' O ' ' A' ' 35' ' ' ALA . 45.7 t -58.64 -40.72 80.09 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.773 0 CA-C-N 114.118 -1.401 . . . . 0.0 111.308 -176.715 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.469 ' HB2' ' HB3' ' B' ' 101' ' ' SER . 81.0 p -74.25 -12.36 60.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.062 0.458 . . . . 0.0 111.244 -178.082 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 40.1 t -89.03 -9.65 50.5 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.471 179.747 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 40.2 m-80 -120.91 -3.6 9.66 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.543 -174.712 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.519 HG13 ' N ' ' A' ' 44' ' ' ALA . 5.6 pt -58.56 -41.3 81.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.916 177.238 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.519 ' N ' HG13 ' A' ' 43' ' ' ILE . . . -77.45 -13.01 60.02 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.081 0.467 . . . . 0.0 110.79 -176.703 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -79.94 -52.96 7.2 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.97 179.335 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.447 HG21 ' HB3' ' A' ' 87' ' ' LEU . 27.9 mt -66.32 -33.84 66.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.492 -179.48 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.661 ' HB1' HD13 ' B' ' 96' ' ' ILE . . . -61.57 -22.28 65.05 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.388 178.399 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 34.0 m -101.77 -41.37 6.55 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.606 -175.101 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -93.76 -24.32 20.89 Favored Glycine 0 CA--C 1.517 0.204 0 C-N-CA 120.532 -0.842 . . . . 0.0 113.192 -176.64 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 73.73 -76.61 0.99 Allowed Glycine 0 N--CA 1.451 -0.333 0 N-CA-C 111.728 -0.549 . . . . 0.0 111.728 -178.537 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -114.95 -27.34 7.41 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 121.082 0.468 . . . . 0.0 110.103 179.815 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 13.3 m -71.36 -9.97 59.0 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.516 -179.112 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -88.58 -20.06 25.51 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.583 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.415 ' HB2' ' HD3' ' A' ' 55' ' ' PRO . 50.8 mt -54.02 -56.5 25.19 Favored Pre-proline 0 CA--C 1.537 0.469 0 CA-C-N 116.175 -0.466 . . . . 0.0 112.136 -177.322 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.415 ' HD3' ' HB2' ' A' ' 54' ' ' LEU . 27.8 Cg_endo -65.78 -11.6 31.5 Favored 'Trans proline' 0 C--N 1.354 0.84 0 C-N-CA 122.13 1.887 . . . . 0.0 112.829 -179.199 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 29.8 m -92.55 -45.27 8.19 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.081 0.467 . . . . 0.0 110.223 176.746 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 89.0 t -77.24 -40.36 29.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.614 -172.036 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.51 HG12 HD22 ' A' ' 83' ' ' LEU . 58.3 mt -59.41 -46.17 92.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.119 176.934 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 58.1 m -68.5 -28.66 67.21 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.917 -178.309 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -65.29 -56.58 11.92 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.163 0.506 . . . . 0.0 110.504 175.163 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 55.3 mt -70.03 -43.14 79.46 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 115.517 -0.765 . . . . 0.0 111.496 -174.678 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 50.3 t80 -54.56 -48.05 72.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.251 -177.617 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 13.3 t -64.95 -25.5 67.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.112 0.482 . . . . 0.0 110.591 -179.419 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -76.57 -38.65 32.01 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.722 -0.751 . . . . 0.0 111.349 178.004 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.648 HG12 HG11 ' A' ' 70' ' ' VAL . 92.5 t -71.43 -45.77 67.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 120.848 0.356 . . . . 0.0 111.077 179.446 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 71.1 t -59.99 -34.53 56.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-O 121.034 0.445 . . . . 0.0 111.099 -179.463 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.37 -15.26 47.55 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.967 178.352 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 43.0 t -78.61 -16.22 57.62 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.592 0.234 . . . . 0.0 111.411 -178.638 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 91.08 32.24 9.1 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.567 -0.825 . . . . 0.0 111.948 -177.884 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.648 HG11 HG12 ' A' ' 65' ' ' VAL . 12.2 p -90.94 161.42 2.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 115.605 -0.297 . . . . 0.0 110.251 -178.505 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 46.7 t -61.41 147.17 45.89 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 110.148 -0.316 . . . . 0.0 110.148 175.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 9.5 m -56.41 -51.51 68.1 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-O 121.016 0.436 . . . . 0.0 111.458 -176.648 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -74.69 -27.23 60.31 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.184 -175.686 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.521 ' HA ' ' CE1' ' A' ' 23' ' ' TYR . 36.1 tt0 -74.98 -33.85 61.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.008 0.432 . . . . 0.0 110.495 179.38 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.54 ' HB2' HG13 ' A' ' 70' ' ' VAL . . . -59.18 -37.53 77.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.84 177.162 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.536 HD23 ' HB3' ' A' ' 118' ' ' TYR . 2.9 tm? -56.53 -43.68 80.07 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.234 179.045 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.593 ' O ' ' HG ' ' A' ' 81' ' ' LEU . 43.8 mm -66.43 -56.87 12.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.054 -177.88 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' GLN . . . . . 0.501 ' HB2' ' HB1' ' A' ' 26' ' ' ALA . 23.1 tt0 -57.08 -47.79 80.18 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.643 0.259 . . . . 0.0 111.104 -179.635 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.37 -35.93 78.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.953 -178.628 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.447 HD23 ' HA ' ' A' ' 80' ' ' LEU . 4.2 mt -71.91 -45.23 61.95 Favored 'General case' 0 N--CA 1.449 -0.525 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.878 178.79 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.672 HD22 HG11 ' B' ' 115' ' ' VAL . 20.2 mt -63.38 -35.98 82.21 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 120.925 0.393 . . . . 0.0 110.572 -177.804 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.535 ' OE1' ' HD2' ' A' ' 38' ' ' ARG . 53.1 mt-10 -65.11 -31.24 72.34 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.603 172.564 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.51 HD22 HG12 ' A' ' 58' ' ' ILE . 21.0 tp -70.87 -47.57 58.55 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-O 120.703 0.287 . . . . 0.0 110.837 175.123 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.456 ' O ' HG22 ' A' ' 88' ' ' VAL . 6.3 mp -59.58 -14.98 15.43 Favored 'General case' 0 C--O 1.223 -0.321 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.384 -178.838 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 39.8 m -88.27 -33.95 17.87 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.769 0.318 . . . . 0.0 111.067 -178.715 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.42 ' HB2' HG13 ' A' ' 39' ' ' VAL . . . -69.95 -41.39 74.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.384 0.612 . . . . 0.0 110.662 -175.782 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.548 HD12 ' N ' ' A' ' 88' ' ' VAL . 1.8 pp -79.13 -25.62 42.9 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.424 -0.807 . . . . 0.0 112.729 -172.495 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.548 ' N ' HD12 ' A' ' 87' ' ' LEU . 17.2 m -86.6 -22.72 7.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 C-N-CA 120.057 -0.657 . . . . 0.0 110.704 177.641 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 72.9 t60 -66.56 -38.95 88.19 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.241 178.159 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.454 HG22 ' O ' ' A' ' 87' ' ' LEU . 22.3 m -67.41 -26.75 36.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.781 -174.267 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.671 ' HA ' ' HB3' ' A' ' 94' ' ' ALA . 3.4 mm? -61.78 -23.23 66.06 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.555 0.217 . . . . 0.0 111.185 -179.702 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 19.2 t -60.33 -31.93 70.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.768 -179.293 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 13.7 t -116.77 3.38 12.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.614 0.721 . . . . 0.0 109.795 -178.851 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.671 ' HB3' ' HA ' ' A' ' 91' ' ' LEU . . . -94.53 102.55 14.49 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.629 -179.822 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 12.3 t -73.67 89.33 1.75 Allowed 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.716 178.145 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.826 HD13 ' HB1' ' B' ' 47' ' ' ALA . 16.3 tt -73.96 148.82 8.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.603 -178.657 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -89.06 -131.51 4.13 Favored Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 120.984 -0.627 . . . . 0.0 111.803 176.273 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 11.0 t30 -116.03 95.38 5.07 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.456 0.646 . . . . 0.0 110.299 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.604 HG12 ' HB3' ' B' ' 93' ' ' SER . 21.4 m -73.58 131.85 34.29 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.528 179.762 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 43.4 m -105.02 152.23 22.98 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.33 -177.246 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' SER . . . . . 0.419 ' HB3' ' HB2' ' B' ' 40' ' ' SER . 19.4 m -78.7 27.92 0.21 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.159 -0.473 . . . . 0.0 112.118 -175.809 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 63.4 t -122.47 120.11 60.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 120.802 0.334 . . . . 0.0 110.428 -177.068 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 113.15 -9.6 24.84 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.882 -0.675 . . . . 0.0 112.604 177.73 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.418 HG22 ' CD2' ' B' ' 89' ' ' HIS . 21.4 t -59.83 -30.47 45.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 C-N-CA 122.214 0.206 . . . . 0.0 111.146 -178.477 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -51.05 -38.85 53.98 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-O 121.263 0.554 . . . . 0.0 111.241 -179.567 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 23.2 t -71.55 -29.36 64.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.078 -178.889 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 19.2 m -71.88 -35.71 69.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.611 -176.668 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.581 ' O ' HG12 ' A' ' 111' ' ' VAL . 4.5 mm? -57.86 -36.1 71.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.738 177.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 18.0 m-80 -70.36 -16.6 62.99 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.644 -177.889 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 40.1 t -92.37 -39.55 11.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 120.704 0.288 . . . . 0.0 110.969 -178.252 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.581 HG12 ' O ' ' A' ' 108' ' ' LEU . 7.8 p -60.44 -28.49 42.38 Favored 'Isoleucine or valine' 0 C--O 1.236 0.351 0 CA-C-O 121.415 0.626 . . . . 0.0 110.611 -178.698 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 112' ' ' GLN . . . . . 0.522 ' HG2' HG12 ' B' ' 27' ' ' VAL . 24.4 mt-30 -65.55 -26.84 68.06 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.027 -178.934 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -77.52 -34.68 53.95 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.747 -174.449 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 5.4 m -82.07 -41.31 20.74 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.671 -0.695 . . . . 0.0 112.094 -171.109 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.678 HG11 HD22 ' B' ' 81' ' ' LEU . 12.9 p -105.57 -21.53 5.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 120.817 0.341 . . . . 0.0 111.196 -173.154 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -57.33 -28.23 58.86 Favored Glycine 0 C--N 1.331 0.278 0 CA-C-N 116.042 -0.526 . . . . 0.0 113.171 -176.658 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -85.88 -1.8 57.63 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.635 0.255 . . . . 0.0 111.595 -177.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 118' ' ' TYR . . . . . 0.536 ' HB3' HD23 ' A' ' 76' ' ' LEU . 84.7 m-85 -110.85 -29.96 7.74 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.878 0.371 . . . . 0.0 110.624 177.523 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.44 ' O ' ' HB3' ' B' ' 22' ' ' SER . 35.6 m . . . . . 0 C--N 1.328 -0.357 0 CA-C-O 121.254 0.549 . . . . 0.0 110.468 175.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 22' ' ' SER . . . . . 0.44 ' HB3' ' O ' ' A' ' 119' ' ' VAL . 27.2 m . . . . . 0 N--CA 1.447 -0.593 0 N-CA-C 110.101 -0.333 . . . . 0.0 110.101 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 23' ' ' TYR . . . . . 0.499 ' OH ' ' HB3' ' B' ' 73' ' ' ASN . 0.1 OUTLIER -148.95 117.55 6.57 Favored 'General case' 0 N--CA 1.445 -0.676 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.32 -178.166 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.14 -22.72 52.15 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.734 179.326 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.02 -28.77 73.3 Favored Glycine 0 N--CA 1.453 -0.201 0 C-N-CA 121.08 -0.581 . . . . 0.0 112.53 -178.533 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 26' ' ' ALA . . . . . 0.509 ' HB1' ' HB2' ' B' ' 78' ' ' GLN . . . -71.46 -19.88 62.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.307 0.575 . . . . 0.0 110.166 177.897 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 27' ' ' VAL . . . . . 0.522 HG12 ' HG2' ' A' ' 112' ' ' GLN . 2.3 t -90.34 -42.21 13.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.254 -0.884 . . . . 0.0 109.92 179.707 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 77.8 m-20 -67.17 -21.63 65.79 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.445 -0.798 . . . . 0.0 111.409 -175.185 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 6.5 ptp180 -88.83 3.9 49.56 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.937 0.399 . . . . 0.0 110.777 -179.363 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 30' ' ' LEU . . . . . 0.466 ' HB3' HD12 ' A' ' 108' ' ' LEU . 91.5 mt -75.1 -26.42 59.26 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.204 -178.821 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 11.2 p -78.59 1.77 21.51 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.248 0.547 . . . . 0.0 110.72 178.64 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 47.2 t -77.15 151.24 35.41 Favored 'General case' 0 N--CA 1.445 -0.687 0 N-CA-C 108.947 -0.761 . . . . 0.0 108.947 173.31 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.34 -16.77 49.41 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.895 0.378 . . . . 0.0 111.425 -178.16 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 34' ' ' GLU . . . . . 0.413 ' O ' ' HG3' ' B' ' 38' ' ' ARG . 27.6 mt-10 -55.72 -61.46 2.34 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.892 178.507 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 35' ' ' ALA . . . . . 0.519 ' O ' HG23 ' B' ' 39' ' ' VAL . . . -57.02 -51.8 67.82 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.665 179.619 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -58.05 -18.33 23.78 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 112.263 0.468 . . . . 0.0 112.263 -177.139 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 31.8 t -89.45 -27.98 20.02 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.384 178.274 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 38' ' ' ARG . . . . . 0.521 ' HD2' ' OE1' ' B' ' 82' ' ' GLU . 70.5 mtt180 -92.44 -47.44 7.16 Favored 'General case' 0 CA--C 1.515 -0.388 0 CA-C-O 121.938 0.875 . . . . 0.0 109.425 -176.151 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 39' ' ' VAL . . . . . 0.558 ' O ' HG23 ' B' ' 43' ' ' ILE . 59.9 t -57.52 -41.32 78.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 CA-C-N 114.02 -1.445 . . . . 0.0 110.673 -178.67 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 40' ' ' SER . . . . . 0.428 ' O ' HG12 ' B' ' 43' ' ' ILE . 65.2 p -72.78 -13.87 61.41 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.729 -177.453 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 35.3 t -90.84 -11.54 39.02 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.234 0.54 . . . . 0.0 110.399 -178.223 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 42' ' ' ASN . . . . . 0.474 ' HB3' HG13 ' B' ' 57' ' ' VAL . 43.4 m-80 -117.75 -6.12 11.08 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.307 -175.616 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 43' ' ' ILE . . . . . 0.558 HG23 ' O ' ' B' ' 39' ' ' VAL . 6.6 pt -56.75 -43.43 79.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.472 179.556 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 44' ' ' ALA . . . . . 0.509 ' N ' HG13 ' B' ' 43' ' ' ILE . . . -74.8 -15.65 60.74 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.081 0.467 . . . . 0.0 111.166 -174.382 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -78.97 -51.08 10.12 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.8 179.573 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 46' ' ' ILE . . . . . 0.413 HG21 ' HB3' ' B' ' 87' ' ' LEU . 34.2 mt -64.47 -33.61 64.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.512 179.483 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 47' ' ' ALA . . . . . 0.826 ' HB1' HD13 ' A' ' 96' ' ' ILE . . . -63.82 -25.78 68.33 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.415 179.222 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 38.9 m -99.37 -33.58 10.65 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.593 -175.579 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -97.36 -21.67 19.16 Favored Glycine 0 CA--C 1.517 0.215 0 C-N-CA 120.438 -0.887 . . . . 0.0 113.102 -178.064 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 74.43 -76.55 1.11 Allowed Glycine 0 N--CA 1.451 -0.334 0 N-CA-C 111.476 -0.65 . . . . 0.0 111.476 -178.763 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -123.2 -17.36 6.66 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-O 121.126 0.489 . . . . 0.0 110.57 179.066 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 7.7 m -72.2 -20.65 61.54 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.447 -177.686 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -90.42 -13.22 35.37 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.785 -176.902 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 54' ' ' LEU . . . . . 0.541 ' O ' HG13 ' B' ' 58' ' ' ILE . 37.4 mt -54.74 -58.63 13.45 Favored Pre-proline 0 C--N 1.326 -0.422 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.8 -177.566 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 55' ' ' PRO . . . . . 0.423 ' HD2' ' N ' ' B' ' 54' ' ' LEU . 19.6 Cg_endo -59.37 -22.93 68.0 Favored 'Trans proline' 0 C--N 1.353 0.804 0 C-N-CA 122.12 1.88 . . . . 0.0 112.417 -177.159 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 5.7 m -86.85 -40.25 15.08 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.213 0.53 . . . . 0.0 110.677 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 57' ' ' VAL . . . . . 0.474 HG13 ' HB3' ' B' ' 42' ' ' ASN . 42.3 t -79.24 -39.05 20.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.497 -173.217 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 58' ' ' ILE . . . . . 0.64 HG12 HD22 ' B' ' 83' ' ' LEU . 57.9 mt -59.04 -39.65 78.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.794 176.678 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 7.5 t -69.17 -38.22 78.6 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.088 -178.473 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 96.2 m-20 -61.03 -46.56 90.24 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.754 179.328 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 63.7 mt -74.75 -45.17 45.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 115.54 -0.755 . . . . 0.0 111.052 -178.789 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 62' ' ' TYR . . . . . 0.439 ' O ' HG23 ' B' ' 66' ' ' VAL . 53.8 t80 -56.29 -48.89 75.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.913 -179.253 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 32.3 t -60.61 -31.03 70.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.97 0.414 . . . . 0.0 110.444 179.124 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -73.6 -42.16 41.1 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.802 -0.714 . . . . 0.0 111.56 179.291 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 65' ' ' VAL . . . . . 0.693 HG12 HG11 ' B' ' 70' ' ' VAL . 96.0 t -66.51 -46.13 87.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-O 121.019 0.438 . . . . 0.0 110.92 178.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 66' ' ' VAL . . . . . 0.439 HG23 ' O ' ' B' ' 62' ' ' TYR . 98.9 t -62.87 -38.81 82.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.042 -179.005 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -73.18 -6.29 44.86 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.86 0.362 . . . . 0.0 111.668 -179.724 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 22.9 t -85.36 -14.65 45.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.932 0.396 . . . . 0.0 110.465 179.633 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 93.29 34.9 6.48 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.465 -0.874 . . . . 0.0 112.342 -179.281 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 70' ' ' VAL . . . . . 0.693 HG11 HG12 ' B' ' 65' ' ' VAL . 12.7 p -82.24 162.42 3.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 N-CA-C 110.133 -0.321 . . . . 0.0 110.133 177.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 71' ' ' SER . . . . . 0.4 ' N ' HG22 ' B' ' 70' ' ' VAL . 28.9 t -66.31 146.09 54.99 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 174.349 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 7.4 m -52.53 -55.93 18.76 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 112.834 0.679 . . . . 0.0 112.834 -170.811 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 73' ' ' ASN . . . . . 0.499 ' HB3' ' OH ' ' B' ' 23' ' ' TYR . 0.2 OUTLIER -79.43 -24.99 42.11 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.967 0.413 . . . . 0.0 110.358 -176.363 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -69.03 -28.28 66.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.984 0.421 . . . . 0.0 110.203 179.122 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -54.68 -43.8 72.78 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.393 178.465 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 76' ' ' LEU . . . . . 0.475 HD23 ' HB3' ' B' ' 118' ' ' TYR . 2.9 tm? -58.02 -43.74 86.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.449 -179.747 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 77' ' ' ILE . . . . . 0.636 ' O ' ' HG ' ' B' ' 81' ' ' LEU . 45.9 mm -65.79 -56.15 16.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.035 -177.306 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 78' ' ' GLN . . . . . 0.509 ' HB2' ' HB1' ' B' ' 26' ' ' ALA . 29.4 tt0 -58.05 -47.48 82.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.658 -0.246 . . . . 0.0 111.044 -179.663 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.91 -37.54 82.61 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.956 0.408 . . . . 0.0 110.787 -178.741 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 80' ' ' LEU . . . . . 0.415 HD23 ' HA ' ' B' ' 80' ' ' LEU . 3.6 mt -70.96 -44.83 65.24 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.913 178.65 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 81' ' ' LEU . . . . . 0.678 HD22 HG11 ' A' ' 115' ' ' VAL . 19.9 mt -63.9 -36.47 84.04 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 121.011 0.434 . . . . 0.0 110.682 -177.482 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 82' ' ' GLU . . . . . 0.521 ' OE1' ' HD2' ' B' ' 38' ' ' ARG . 50.6 mt-10 -63.76 -34.37 77.75 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.413 171.889 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 83' ' ' LEU . . . . . 0.64 HD22 HG12 ' B' ' 58' ' ' ILE . 23.6 tp -69.38 -46.33 67.18 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.873 0.368 . . . . 0.0 110.745 176.558 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 84' ' ' LEU . . . . . 0.414 ' O ' HG22 ' B' ' 88' ' ' VAL . 10.6 mp -59.62 -15.64 20.36 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.242 -179.626 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 85' ' ' SER . . . . . 0.416 ' OG ' HD13 ' A' ' 108' ' ' LEU . 30.3 m -91.46 -29.17 17.18 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.762 0.315 . . . . 0.0 110.802 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 86' ' ' ALA . . . . . 0.464 ' HB2' HG13 ' B' ' 39' ' ' VAL . . . -71.47 -43.91 65.72 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.407 0.622 . . . . 0.0 110.437 -177.128 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 87' ' ' LEU . . . . . 0.451 HD12 HG13 ' B' ' 88' ' ' VAL . 1.4 pp -80.19 -17.27 52.85 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.239 -0.891 . . . . 0.0 112.891 -172.08 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 88' ' ' VAL . . . . . 0.451 HG13 HD12 ' B' ' 87' ' ' LEU . 17.0 m -92.5 -24.88 5.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 C-N-CA 120.509 -0.476 . . . . 0.0 110.64 175.85 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 89' ' ' HIS . . . . . 0.418 ' CD2' HG22 ' A' ' 104' ' ' VAL . 77.3 t60 -66.14 -35.91 81.73 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.013 -0.54 . . . . 0.0 109.886 178.514 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 90' ' ' VAL . . . . . 0.526 ' HA ' HG11 ' A' ' 99' ' ' VAL . 22.3 m -65.92 -25.62 36.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.456 -175.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 91' ' ' LEU . . . . . 0.677 ' HA ' ' HB3' ' B' ' 94' ' ' ALA . 3.5 mm? -66.33 -20.22 66.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.813 0.34 . . . . 0.0 111.141 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 22.9 t -66.46 -22.29 66.2 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.855 179.162 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 93' ' ' SER . . . . . 0.604 ' HB3' HG12 ' A' ' 99' ' ' VAL . 23.1 t -121.85 11.44 10.39 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.613 0.72 . . . . 0.0 109.594 177.782 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 94' ' ' ALA . . . . . 0.677 ' HB3' ' HA ' ' B' ' 91' ' ' LEU . . . -108.26 95.92 6.0 Favored 'General case' 0 N--CA 1.446 -0.65 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.805 -179.324 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 16.7 t -77.03 87.26 3.54 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.538 -0.542 . . . . 0.0 109.538 177.663 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 96' ' ' ILE . . . . . 0.661 HD13 ' HB1' ' A' ' 47' ' ' ALA . 17.8 tt -67.78 144.6 14.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.22 -179.031 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 97' ' ' GLY . . . . . . . . . . . . . . . -92.87 -96.06 1.44 Allowed Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 120.847 -0.692 . . . . 0.0 112.369 -179.604 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 98' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -133.2 118.9 19.19 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.637 0.256 . . . . 0.0 110.728 -178.391 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 99' ' ' VAL . . . . . 0.44 HG11 ' HA ' ' A' ' 90' ' ' VAL . 4.2 m -111.4 128.41 67.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.773 177.374 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 100' ' ' SER . . . . . . . . . . . . . 26.1 m -94.96 151.98 18.73 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.225 179.383 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 101' ' ' SER . . . . . 0.469 ' HB3' ' HB2' ' A' ' 40' ' ' SER . 48.2 m -80.7 7.78 9.46 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.896 0.379 . . . . 0.0 111.902 -177.115 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 60.5 t -103.17 115.77 45.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 120.893 0.378 . . . . 0.0 110.371 -178.234 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . 123.02 -8.06 9.21 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.908 -0.663 . . . . 0.0 112.84 177.263 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 104' ' ' VAL . . . . . . . . . . . . . 38.3 t -61.69 -28.71 44.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 N-CA-C 111.597 0.221 . . . . 0.0 111.597 -177.48 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -46.41 -44.98 17.69 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.767 -179.725 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 36.0 t -69.07 -30.13 68.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.366 -177.646 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 20.3 m -71.22 -24.76 62.26 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.188 0.518 . . . . 0.0 110.123 -178.021 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 108' ' ' LEU . . . . . 0.518 HD11 HG21 ' A' ' 39' ' ' VAL . 4.5 mm? -68.34 -21.56 64.73 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.534 175.249 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 109' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -78.22 -38.04 44.05 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.825 -177.735 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 110' ' ' VAL . . . . . . . . . . . . . 8.7 p -81.89 -27.58 9.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.428 -174.825 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 111' ' ' VAL . . . . . 0.418 HG12 ' O ' ' B' ' 108' ' ' LEU . 10.1 p -64.99 -33.34 63.04 Favored 'Isoleucine or valine' 0 C--O 1.236 0.355 0 CA-C-O 121.173 0.511 . . . . 0.0 110.192 178.04 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 112' ' ' GLN . . . . . 0.506 ' HG3' ' O ' ' B' ' 108' ' ' LEU . 25.4 mt-30 -64.08 -27.86 69.39 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.648 -0.706 . . . . 0.0 110.389 179.064 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 113' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -76.67 -29.95 56.57 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 114.992 -1.004 . . . . 0.0 110.932 -175.249 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 6.3 m -85.27 -41.71 15.31 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.593 -0.73 . . . . 0.0 112.019 -172.923 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 115' ' ' VAL . . . . . 0.672 HG11 HD22 ' A' ' 81' ' ' LEU . 14.7 p -106.72 -22.04 5.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 120.783 0.325 . . . . 0.0 111.646 -172.404 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 116' ' ' GLY . . . . . . . . . . . . . . . -60.35 -22.68 59.06 Favored Glycine 0 C--O 1.228 -0.257 0 CA-C-N 116.201 -0.454 . . . . 0.0 113.107 -176.161 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -84.54 -0.2 52.24 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 111.729 0.27 . . . . 0.0 111.729 -178.75 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 118' ' ' TYR . . . . . 0.475 ' HB3' HD23 ' B' ' 76' ' ' LEU . 82.8 m-85 -115.01 -37.31 4.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.856 0.36 . . . . 0.0 110.67 177.432 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 119' ' ' VAL . . . . . 0.442 HG21 HG21 ' A' ' 27' ' ' VAL . 35.9 m -85.24 -1.06 6.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.485 -177.852 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.128 0 CA-C-O 117.904 -1.498 . . . . 0.0 111.408 178.756 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 5.7 m . . . . . 0 N--CA 1.451 -0.41 0 CA-C-O 120.678 0.275 . . . . 0.0 110.75 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.437 ' CE1' ' HA ' ' A' ' 74' ' ' GLU . 0.1 OUTLIER -150.06 111.26 4.4 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 178.766 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.444 ' HB2' ' HA3' ' B' ' 120' ' ' GLY . . . -78.06 -15.9 58.5 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.755 -177.41 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.66 -30.68 78.35 Favored Glycine 0 N--CA 1.452 -0.29 0 N-CA-C 111.47 -0.652 . . . . 0.0 111.47 179.527 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.593 ' HB1' ' HB2' ' A' ' 78' ' ' GLN . . . -71.27 -11.39 60.89 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.189 0.519 . . . . 0.0 110.537 177.053 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.595 HG22 ' CD1' ' A' ' 81' ' ' LEU . 3.4 t -98.0 -43.17 11.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.866 -176.799 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 25.3 m120 -62.0 -31.96 72.38 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-O 121.098 0.475 . . . . 0.0 110.949 -178.21 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 79.4 ttt180 -68.25 -13.99 62.65 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.639 -0.709 . . . . 0.0 111.695 -178.339 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.447 HD11 ' HB3' ' A' ' 81' ' ' LEU . 81.6 mt -68.7 -21.12 64.43 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.838 0.351 . . . . 0.0 111.638 -176.437 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 32.0 t -79.3 -3.19 44.89 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.054 -177.601 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 39.8 m -86.83 157.56 19.53 Favored 'General case' 0 N--CA 1.442 -0.873 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.134 176.302 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.59 -16.49 48.6 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.779 -178.258 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -52.32 -59.88 3.88 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.707 178.512 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.65 ' O ' HG23 ' A' ' 39' ' ' VAL . . . -62.73 -51.98 65.05 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.527 -0.761 . . . . 0.0 110.179 179.011 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -48.51 -38.14 19.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.993 -176.393 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 32.5 m -74.29 -20.72 60.03 Favored 'General case' 0 CA--C 1.539 0.534 0 N-CA-C 112.152 0.427 . . . . 0.0 112.152 -178.156 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.403 HH11 ' HD3' ' A' ' 38' ' ' ARG . 50.6 mtm-85 -99.01 -40.79 7.87 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.593 0.711 . . . . 0.0 109.808 -177.608 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.65 HG23 ' O ' ' A' ' 35' ' ' ALA . 35.2 t -65.47 -39.88 86.53 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.832 0 CA-C-N 114.677 -1.147 . . . . 0.0 110.915 -178.813 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 80.8 p -77.47 -3.72 41.85 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.843 0.354 . . . . 0.0 111.872 -177.304 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 15.4 t -94.69 -16.81 22.79 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.508 0.67 . . . . 0.0 109.848 179.193 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 42.4 m-80 -110.97 -3.08 15.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.224 -176.293 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.454 HG23 ' O ' ' A' ' 39' ' ' VAL . 3.3 pt -61.21 -34.48 60.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-O 121.185 0.516 . . . . 0.0 110.464 175.916 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.447 ' N ' HG13 ' A' ' 43' ' ' ILE . . . -83.81 1.92 40.7 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.068 -178.371 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -99.73 -51.68 3.67 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.241 177.579 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.439 HG21 ' HB3' ' A' ' 87' ' ' LEU . 34.0 mt -65.8 -33.34 62.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.749 -178.325 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.65 ' HB1' HD13 ' B' ' 96' ' ' ILE . . . -66.92 -14.44 62.79 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.607 179.181 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 44.6 t -98.17 -42.9 7.22 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.099 -177.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -99.05 -21.59 15.24 Favored Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.418 -0.896 . . . . 0.0 113.334 -175.751 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 72.9 -76.75 0.84 Allowed Glycine 0 N--CA 1.452 -0.297 0 N-CA-C 111.596 -0.602 . . . . 0.0 111.596 -178.138 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -114.34 -22.64 9.8 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-O 121.219 0.533 . . . . 0.0 110.151 179.486 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.7 m -72.82 -11.56 60.65 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.609 -179.29 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -91.7 -19.36 22.71 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.717 -178.683 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.537 HD11 HG11 ' B' ' 88' ' ' VAL . 51.0 mt -53.51 -58.93 10.78 Favored Pre-proline 0 CA--C 1.534 0.352 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.918 -176.216 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.45 ' HD3' ' HB2' ' A' ' 54' ' ' LEU . 38.5 Cg_endo -66.44 -7.95 19.26 Favored 'Trans proline' 0 C--N 1.353 0.793 0 C-N-CA 122.213 1.942 . . . . 0.0 112.862 -176.321 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 46.4 m -101.54 -38.67 7.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.979 0.419 . . . . 0.0 110.926 178.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 71.6 t -80.19 -40.8 20.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.41 -175.657 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.484 HG12 ' HG ' ' A' ' 83' ' ' LEU . 68.8 mt -58.18 -38.33 67.5 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.318 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.945 176.529 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 31.8 t -66.6 -41.33 88.62 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.108 -179.406 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 95.5 m-20 -59.97 -53.9 52.39 Favored 'General case' 0 C--O 1.231 0.117 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.049 178.735 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 54.9 mt -68.57 -43.85 83.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 115.502 -0.772 . . . . 0.0 111.581 -176.124 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.44 ' O ' HG23 ' A' ' 66' ' ' VAL . 58.9 t80 -55.98 -50.47 70.74 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.735 0.302 . . . . 0.0 110.731 -177.835 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 55.7 m -66.67 -20.94 66.09 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.475 -178.597 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -79.14 -39.69 18.75 Favored Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 120.519 -0.848 . . . . 0.0 111.415 176.461 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.645 HG12 HG11 ' A' ' 70' ' ' VAL . 84.9 t -72.02 -44.25 66.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-O 120.825 0.345 . . . . 0.0 111.322 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.44 HG23 ' O ' ' A' ' 62' ' ' TYR . 95.3 t -60.04 -36.79 69.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.751 0.31 . . . . 0.0 111.075 -178.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.56 -8.12 31.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.864 179.6 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 22.7 t -83.84 -12.45 55.57 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.94 -179.5 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 96.35 32.82 6.48 Favored Glycine 0 N--CA 1.453 -0.225 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.428 179.332 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.645 HG11 HG12 ' A' ' 65' ' ' VAL . 12.6 p -100.79 156.48 4.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-O 120.553 0.216 . . . . 0.0 110.494 178.345 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 45.4 t -65.91 153.16 42.8 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.596 -0.274 . . . . 0.0 110.37 177.484 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 4.8 m -59.61 -51.13 71.15 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 112.039 0.385 . . . . 0.0 112.039 -174.722 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -71.3 -30.43 66.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.97 0.414 . . . . 0.0 110.05 -176.515 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.437 ' HA ' ' CE1' ' A' ' 23' ' ' TYR . 31.5 tt0 -75.09 -33.27 61.62 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.146 0.498 . . . . 0.0 110.029 178.499 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.613 ' HB2' HG13 ' A' ' 70' ' ' VAL . . . -62.66 -39.81 95.07 Favored 'General case' 0 CA--C 1.517 -0.312 0 CA-C-N 115.762 -0.653 . . . . 0.0 110.816 175.866 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -53.2 -42.64 66.47 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.038 178.264 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.712 ' O ' ' HG ' ' A' ' 81' ' ' LEU . 45.3 mm -66.48 -58.32 6.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.045 -179.482 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' GLN . . . . . 0.593 ' HB2' ' HB1' ' A' ' 26' ' ' ALA . 24.0 tt0 -56.43 -46.25 80.37 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-O 120.608 0.242 . . . . 0.0 111.312 -179.769 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.66 -39.18 90.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.98 -178.935 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.496 ' O ' HD23 ' A' ' 84' ' ' LEU . 5.8 mt -70.01 -37.71 75.74 Favored 'General case' 0 C--O 1.221 -0.444 0 CA-C-O 120.829 0.347 . . . . 0.0 110.923 177.923 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.712 ' HG ' ' O ' ' A' ' 77' ' ' ILE . 81.6 mt -69.08 -33.35 73.39 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-O 120.819 0.343 . . . . 0.0 111.067 -179.743 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -75.06 -15.68 60.61 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.256 0.55 . . . . 0.0 110.561 172.837 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.484 ' HG ' HG12 ' A' ' 58' ' ' ILE . 3.4 tm? -85.31 -43.98 13.24 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 175.492 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.515 HD21 HD22 ' B' ' 84' ' ' LEU . 4.2 mm? -68.64 -9.18 48.36 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.275 -0.875 . . . . 0.0 112.024 -178.611 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 2.0 p -96.78 -32.1 12.3 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 120.876 0.369 . . . . 0.0 111.075 -179.331 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -66.0 -45.23 82.34 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.783 -179.467 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.489 HD12 HG13 ' A' ' 88' ' ' VAL . 1.3 pp -79.5 -17.73 53.48 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 112.997 0.74 . . . . 0.0 112.997 -172.396 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.489 HG13 HD12 ' A' ' 87' ' ' LEU . 16.9 m -91.5 -22.03 6.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 C-N-CA 120.19 -0.604 . . . . 0.0 110.592 176.623 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 67.8 t60 -70.3 -35.46 73.69 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 176.712 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.48 HG22 ' O ' ' A' ' 87' ' ' LEU . 19.0 m -64.86 -25.53 37.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.068 -177.589 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.62 ' HA ' ' HB3' ' A' ' 94' ' ' ALA . 2.8 mm? -63.7 -18.76 64.34 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.027 178.338 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 33.8 t -65.52 -23.55 66.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.74 178.272 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 6.7 t -127.68 11.55 6.74 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.665 0.745 . . . . 0.0 109.808 179.545 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.62 ' HB3' ' HA ' ' A' ' 91' ' ' LEU . . . -108.5 89.1 2.89 Favored 'General case' 0 N--CA 1.446 -0.646 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.275 178.585 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 11.5 t -75.54 87.11 2.65 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.691 -179.794 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.65 HD13 ' HB1' ' B' ' 47' ' ' ALA . 18.1 tt -66.82 149.17 11.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 115.183 -0.917 . . . . 0.0 111.764 -176.849 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -97.59 -106.91 2.5 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.509 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -124.52 117.67 24.88 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.82 0.343 . . . . 0.0 110.389 -179.418 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.491 HG11 ' HA ' ' B' ' 90' ' ' VAL . 6.1 m -102.41 142.09 17.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.049 -179.637 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 36.8 t -92.01 145.94 24.13 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.163 -178.384 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 5.7 p -82.35 -0.94 48.14 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.296 0.569 . . . . 0.0 110.346 176.606 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 48.8 t -94.67 107.19 19.08 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.28 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.966 -175.287 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 122.23 -2.41 10.57 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.681 177.298 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.436 ' O ' HD12 ' A' ' 108' ' ' LEU . 39.9 t -59.54 -35.98 62.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 120.465 0.174 . . . . 0.0 110.729 178.911 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 105' ' ' ASP . . . . . 0.407 ' HA ' HD12 ' A' ' 108' ' ' LEU . 9.6 t70 -54.51 -41.96 70.25 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 121.477 0.656 . . . . 0.0 109.688 179.181 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 6.0 m -72.07 -35.17 69.21 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 115.249 -0.887 . . . . 0.0 111.475 -177.56 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 59.8 m -64.46 -34.62 78.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.172 0.511 . . . . 0.0 110.039 177.153 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.658 ' O ' ' HG3' ' A' ' 112' ' ' GLN . 1.4 mt -61.72 -23.92 66.45 Favored 'General case' 0 C--O 1.221 -0.415 0 CA-C-N 115.604 -0.725 . . . . 0.0 111.025 177.681 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -67.63 -31.82 72.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.075 0.464 . . . . 0.0 110.536 178.099 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 26.3 t -82.12 -37.87 15.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.844 -176.08 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.551 HG12 ' O ' ' A' ' 108' ' ' LEU . 7.6 p -61.61 -31.0 49.43 Favored 'Isoleucine or valine' 0 C--O 1.234 0.277 0 CA-C-O 121.384 0.611 . . . . 0.0 110.057 -178.93 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 112' ' ' GLN . . . . . 0.658 ' HG3' ' O ' ' A' ' 108' ' ' LEU . 25.1 mt-30 -66.07 -20.7 66.25 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.825 -179.053 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -87.79 -32.92 18.83 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.445 -175.7 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 12.9 m -81.52 -43.52 18.66 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.806 -173.1 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.472 HG12 ' O ' ' A' ' 111' ' ' VAL . 7.3 p -108.18 -22.2 5.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 120.811 0.338 . . . . 0.0 111.283 -174.675 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -59.06 -28.42 63.82 Favored Glycine 0 CA--C 1.518 0.26 0 C-N-CA 121.279 -0.486 . . . . 0.0 113.002 -177.528 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -82.15 -5.22 58.3 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 111.792 0.293 . . . . 0.0 111.792 -178.593 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 89.3 m-85 -106.35 -28.7 10.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.945 0.402 . . . . 0.0 110.649 177.783 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.474 ' O ' ' HB3' ' B' ' 22' ' ' SER . 35.1 m . . . . . 0 C--N 1.327 -0.371 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.979 177.653 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 22' ' ' SER . . . . . 0.474 ' HB3' ' O ' ' A' ' 119' ' ' VAL . 30.5 m . . . . . 0 N--CA 1.446 -0.657 0 CA-C-O 120.778 0.323 . . . . 0.0 110.443 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 23' ' ' TYR . . . . . 0.471 ' CE1' ' HA ' ' B' ' 74' ' ' GLU . 0.2 OUTLIER -150.04 120.05 7.19 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.278 -179.219 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -83.0 -19.87 36.17 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.101 179.667 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -67.69 -27.51 73.6 Favored Glycine 0 CA--C 1.508 -0.394 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.298 -177.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 26' ' ' ALA . . . . . 0.512 ' HB1' ' HB2' ' B' ' 78' ' ' GLN . . . -70.36 -14.04 62.4 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.175 0.512 . . . . 0.0 109.925 176.266 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 27' ' ' VAL . . . . . 0.48 HG12 ' HG2' ' A' ' 112' ' ' GLN . 2.6 t -96.24 -45.65 13.01 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.439 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.548 -178.625 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 31.8 m120 -63.05 -23.17 67.32 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-O 120.873 0.368 . . . . 0.0 111.486 -176.045 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 4.3 ptm180 -92.41 8.96 36.23 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.047 0.451 . . . . 0.0 110.871 -174.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 30' ' ' LEU . . . . . 0.612 HD11 ' HB3' ' B' ' 81' ' ' LEU . 95.2 mt -73.57 -25.89 60.57 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.94 179.309 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 13.6 t -84.89 20.64 1.78 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.278 0.561 . . . . 0.0 110.134 177.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 69.7 m -94.68 151.18 19.5 Favored 'General case' 0 N--CA 1.44 -0.968 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.763 174.775 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -56.98 -23.39 45.52 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.781 -178.35 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -57.99 -54.68 44.22 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.439 178.151 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 35' ' ' ALA . . . . . 0.648 ' O ' HG23 ' B' ' 39' ' ' VAL . . . -67.76 -53.95 23.19 Favored 'General case' 0 CA--C 1.514 -0.426 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.729 -179.754 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.19 -37.43 34.96 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.03 0.381 . . . . 0.0 112.03 -175.406 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 29.6 m -80.08 -12.22 59.7 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 112.377 0.51 . . . . 0.0 112.377 -178.716 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 34.8 mtm180 -98.81 -47.84 5.15 Favored 'General case' 0 CA--C 1.515 -0.396 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 177.078 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 39' ' ' VAL . . . . . 0.648 HG23 ' O ' ' B' ' 35' ' ' ALA . 24.4 t -60.09 -36.83 70.09 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 CA-C-N 114.535 -1.211 . . . . 0.0 111.084 -178.568 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 60.6 p -72.98 -10.36 59.72 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.096 0.474 . . . . 0.0 111.332 179.611 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 22.8 t -92.61 -14.35 28.33 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.791 0.805 . . . . 0.0 109.149 177.077 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 42' ' ' ASN . . . . . 0.455 ' OD1' HD11 ' B' ' 61' ' ' ILE . 11.4 m120 -96.1 -27.3 15.14 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.063 -0.971 . . . . 0.0 109.967 -174.65 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 43' ' ' ILE . . . . . 0.586 HG13 ' N ' ' B' ' 44' ' ' ALA . 5.8 pt -56.56 -40.61 69.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 115.408 -0.814 . . . . 0.0 111.427 -178.845 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 44' ' ' ALA . . . . . 0.586 ' N ' HG13 ' B' ' 43' ' ' ILE . . . -81.72 -8.61 59.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.05 0.452 . . . . 0.0 111.077 -176.612 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -94.98 -49.46 5.54 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.094 -179.584 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 57.8 mt -65.51 -34.8 72.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.324 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 47' ' ' ALA . . . . . 0.65 ' HB1' HD13 ' A' ' 96' ' ' ILE . . . -68.74 -6.53 27.02 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.676 179.211 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 30.6 t -103.1 -11.31 18.18 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.797 -0.183 . . . . 0.0 111.4 -177.047 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -140.55 -27.3 0.21 Allowed Glycine 0 C--N 1.33 0.222 0 C-N-CA 119.979 -1.105 . . . . 0.0 113.414 -176.75 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 86.26 -73.07 2.57 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 121.145 -0.55 . . . . 0.0 111.728 -178.369 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -118.04 -21.88 8.08 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.796 0.331 . . . . 0.0 111.167 -179.255 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 6.1 m -70.2 -20.41 63.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.228 0.537 . . . . 0.0 111.047 -176.408 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -90.27 -13.72 34.75 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.127 -176.684 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 54' ' ' LEU . . . . . 0.464 HD11 HG11 ' A' ' 88' ' ' VAL . 39.9 mt -56.11 -57.99 19.05 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-N 116.069 -0.514 . . . . 0.0 112.022 -176.011 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 55' ' ' PRO . . . . . 0.405 ' HD2' ' N ' ' B' ' 54' ' ' LEU . 19.7 Cg_endo -60.31 -26.82 83.57 Favored 'Trans proline' 0 C--N 1.353 0.781 0 C-N-CA 121.89 1.727 . . . . 0.0 112.669 -177.678 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 33.7 m -86.69 -23.95 25.39 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.062 0.458 . . . . 0.0 111.112 -178.372 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 42.8 t -92.99 -42.17 13.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.868 -177.267 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 58' ' ' ILE . . . . . 0.452 HG12 ' HG ' ' B' ' 83' ' ' LEU . 63.7 mt -61.08 -38.9 80.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.802 0.334 . . . . 0.0 110.522 179.503 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 5.6 t -65.47 -36.99 85.53 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.219 -0.446 . . . . 0.0 109.823 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 -62.82 -51.08 68.44 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.807 177.543 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 61' ' ' ILE . . . . . 0.455 HD11 ' OD1' ' B' ' 42' ' ' ASN . 46.7 mt -65.64 -47.3 86.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 115.648 -0.705 . . . . 0.0 111.215 -178.065 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 62' ' ' TYR . . . . . 0.476 ' O ' HG23 ' B' ' 66' ' ' VAL . 54.6 t80 -56.91 -47.96 79.34 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.787 0.327 . . . . 0.0 110.433 -178.66 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 23.0 m -64.02 -25.15 67.99 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.031 -0.532 . . . . 0.0 111.052 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -78.14 -43.37 13.66 Favored Glycine 0 N--CA 1.449 -0.473 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 176.203 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 65' ' ' VAL . . . . . 0.717 HG12 HG11 ' B' ' 70' ' ' VAL . 76.0 t -64.56 -46.86 91.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 115.285 -0.457 . . . . 0.0 111.084 -179.442 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 66' ' ' VAL . . . . . 0.476 HG23 ' O ' ' B' ' 62' ' ' TYR . 80.3 t -62.09 -40.0 85.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.949 -179.826 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -69.03 -13.87 62.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.678 -179.225 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 56.9 m -73.05 -26.24 61.22 Favored 'General case' 0 N--CA 1.441 -0.881 0 CA-C-O 120.88 0.371 . . . . 0.0 110.94 179.288 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 104.1 39.24 2.51 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.659 -0.782 . . . . 0.0 111.855 -176.844 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 70' ' ' VAL . . . . . 0.717 HG11 HG12 ' B' ' 65' ' ' VAL . 13.6 p -97.08 163.34 2.45 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 N-CA-C 110.284 -0.265 . . . . 0.0 110.284 179.411 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 71' ' ' SER . . . . . 0.413 ' N ' HG22 ' B' ' 70' ' ' VAL . 1.1 m -66.47 153.09 43.78 Favored 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 110.146 -0.316 . . . . 0.0 110.146 175.049 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 15.5 m -56.34 -56.36 22.08 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 112.718 0.636 . . . . 0.0 112.718 -173.145 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 73' ' ' ASN . . . . . 0.412 ' HB3' ' OH ' ' B' ' 23' ' ' TYR . 0.2 OUTLIER -79.44 -22.85 43.64 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.105 0.479 . . . . 0.0 110.243 -176.189 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 74' ' ' GLU . . . . . 0.471 ' HA ' ' CE1' ' B' ' 23' ' ' TYR . 32.4 tt0 -70.84 -29.28 65.37 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.917 178.861 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 75' ' ' ALA . . . . . 0.433 ' HB2' HG13 ' B' ' 70' ' ' VAL . . . -61.1 -39.82 91.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.324 -0.853 . . . . 0.0 111.11 176.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 76' ' ' LEU . . . . . 0.549 HD23 ' HB3' ' B' ' 118' ' ' TYR . 2.7 tm? -56.28 -47.32 78.85 Favored 'General case' 0 CA--C 1.518 -0.257 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.977 179.594 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 77' ' ' ILE . . . . . 0.717 ' O ' ' HG ' ' B' ' 81' ' ' LEU . 41.5 mm -62.04 -57.74 10.7 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-N 115.284 -0.871 . . . . 0.0 110.953 -177.835 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 78' ' ' GLN . . . . . 0.512 ' HB2' ' HB1' ' B' ' 26' ' ' ALA . 36.3 tt0 -57.13 -46.48 82.63 Favored 'General case' 0 C--O 1.234 0.263 0 O-C-N 122.997 0.186 . . . . 0.0 111.282 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -59.68 -39.05 83.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.893 0.378 . . . . 0.0 110.878 -179.034 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 80' ' ' LEU . . . . . 0.696 ' O ' ' HG ' ' B' ' 84' ' ' LEU . 7.1 mt -72.11 -43.09 65.29 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.141 178.1 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 81' ' ' LEU . . . . . 0.717 ' HG ' ' O ' ' B' ' 77' ' ' ILE . 68.3 mt -58.53 -42.52 87.95 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.909 0.385 . . . . 0.0 111.007 -179.597 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 56.9 mt-10 -64.91 -33.57 76.34 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.477 176.279 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 83' ' ' LEU . . . . . 0.452 ' HG ' HG12 ' B' ' 58' ' ' ILE . 3.4 tm? -69.61 -39.62 77.11 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.608 -0.516 . . . . 0.0 109.608 177.883 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 84' ' ' LEU . . . . . 0.696 ' HG ' ' O ' ' B' ' 80' ' ' LEU . 12.8 mt -65.09 -17.64 64.63 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.202 -177.852 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 33.8 m -91.98 -32.16 15.34 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.001 0.429 . . . . 0.0 110.951 -173.936 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 86' ' ' ALA . . . . . 0.415 ' O ' HG13 ' B' ' 90' ' ' VAL . . . -67.41 -41.77 84.35 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.027 -176.661 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 87' ' ' LEU . . . . . 0.479 HD12 ' N ' ' B' ' 88' ' ' VAL . 1.3 pp -82.71 -20.24 36.47 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 112.934 0.716 . . . . 0.0 112.934 -172.23 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 88' ' ' VAL . . . . . 0.537 HG11 HD11 ' A' ' 54' ' ' LEU . 15.9 m -89.06 -22.49 6.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 C-N-CA 120.175 -0.61 . . . . 0.0 110.758 177.25 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 89' ' ' HIS . . . . . . . . . . . . . 60.7 t60 -69.18 -37.96 78.43 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.049 177.016 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 90' ' ' VAL . . . . . 0.491 ' HA ' HG11 ' A' ' 99' ' ' VAL . 25.7 m -66.57 -28.36 43.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 N-CA-C 112.172 0.434 . . . . 0.0 112.172 -174.485 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 91' ' ' LEU . . . . . 0.596 ' HA ' ' HB3' ' B' ' 94' ' ' ALA . 2.3 mm? -62.59 -21.76 65.86 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-O 120.802 0.334 . . . . 0.0 111.082 -179.737 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 13.9 t -63.68 -24.17 67.67 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.164 -178.642 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 93' ' ' SER . . . . . 0.444 ' HB3' HG12 ' A' ' 99' ' ' VAL . 13.0 t -125.93 12.47 7.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.382 0.611 . . . . 0.0 110.043 178.311 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 94' ' ' ALA . . . . . 0.596 ' HB3' ' HA ' ' B' ' 91' ' ' LEU . . . -103.11 98.16 8.14 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.137 177.09 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 23.1 t -75.42 92.05 2.8 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.127 0.489 . . . . 0.0 109.708 179.02 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 96' ' ' ILE . . . . . 0.65 HD13 ' HB1' ' A' ' 47' ' ' ALA . 20.4 tt -73.47 145.62 11.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.968 -178.581 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 97' ' ' GLY . . . . . . . . . . . . . . . -92.72 -113.39 2.12 Favored Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.858 -0.687 . . . . 0.0 112.098 177.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 98' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -119.98 117.02 26.95 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.956 0.408 . . . . 0.0 110.593 -178.393 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 99' ' ' VAL . . . . . 0.519 ' CG1' HD11 ' B' ' 96' ' ' ILE . 11.6 m -99.45 151.9 4.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.647 178.94 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 100' ' ' SER . . . . . . . . . . . . . 22.3 t -120.17 161.28 21.32 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.155 -176.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 11.9 p -81.63 -0.06 40.78 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.066 0.46 . . . . 0.0 110.943 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 48.6 t -91.09 111.02 23.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.25 -175.749 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . 121.16 -12.21 9.78 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.914 173.634 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 104' ' ' VAL . . . . . . . . . . . . . 18.2 t -58.95 -33.93 51.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 N-CA-C 110.18 -0.304 . . . . 0.0 110.18 179.283 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -53.12 -43.23 66.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.267 178.086 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 25.8 m -80.02 -35.61 37.06 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.169 -178.449 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 31.3 m -59.92 -34.82 73.72 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 121.333 0.587 . . . . 0.0 110.337 177.446 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 108' ' ' LEU . . . . . 0.568 ' O ' ' HG3' ' B' ' 112' ' ' GLN . 3.1 mt -62.04 -27.51 68.94 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.523 -0.762 . . . . 0.0 111.354 177.459 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 109' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -68.55 -25.71 65.05 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.075 0.464 . . . . 0.0 110.135 178.501 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 110' ' ' VAL . . . . . . . . . . . . . 34.4 t -84.86 -39.37 14.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.952 -177.097 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 111' ' ' VAL . . . . . 0.494 HG12 ' O ' ' B' ' 108' ' ' LEU . 7.8 p -62.78 -28.73 45.49 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.299 0 CA-C-O 121.31 0.576 . . . . 0.0 110.439 -178.836 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 112' ' ' GLN . . . . . 0.568 ' HG3' ' O ' ' B' ' 108' ' ' LEU . 26.3 mt-30 -68.76 -30.45 69.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.852 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 113' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -72.64 -39.0 67.53 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.365 -0.834 . . . . 0.0 110.447 -175.159 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 5.9 m -74.08 -41.92 60.94 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.303 -0.862 . . . . 0.0 112.324 -169.751 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 115' ' ' VAL . . . . . 0.42 HG11 ' CD2' ' A' ' 81' ' ' LEU . 12.6 p -113.1 -17.88 8.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-O 120.807 0.337 . . . . 0.0 111.823 -173.461 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 116' ' ' GLY . . . . . . . . . . . . . . . -56.29 -31.4 59.44 Favored Glycine 0 C--O 1.226 -0.381 0 C-N-CA 121.167 -0.539 . . . . 0.0 113.034 -178.479 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -81.07 -0.65 40.82 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 111.78 0.289 . . . . 0.0 111.78 -176.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 118' ' ' TYR . . . . . 0.549 ' HB3' HD23 ' B' ' 76' ' ' LEU . 64.7 m-85 -112.11 -23.16 10.61 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.1 0.476 . . . . 0.0 110.5 178.582 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 119' ' ' VAL . . . . . . . . . . . . . 34.4 m -95.52 -5.05 10.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.347 175.457 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 120' ' ' GLY . . . . . 0.444 ' HA3' ' HB2' ' A' ' 24' ' ' ALA . . . . . . . . 0 C--O 1.248 0.989 0 CA-C-O 118.564 -1.131 . . . . 0.0 112.243 179.186 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 34.2 m . . . . . 0 N--CA 1.451 -0.401 0 CA-C-O 120.803 0.335 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.598 ' CE1' ' HA ' ' A' ' 74' ' ' GLU . 0.0 OUTLIER -152.14 121.94 7.0 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 179.443 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -81.09 -21.2 40.15 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.651 -176.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.13 -32.52 82.72 Favored Glycine 0 CA--C 1.511 -0.194 0 C-N-CA 120.996 -0.621 . . . . 0.0 112.205 179.716 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.502 ' HB1' ' HB2' ' A' ' 78' ' ' GLN . . . -69.87 -11.98 61.28 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.101 0.477 . . . . 0.0 110.477 178.46 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.517 HG12 ' HG2' ' B' ' 112' ' ' GLN . 3.4 t -96.76 -42.4 11.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.537 -178.418 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 26.0 m120 -64.96 -33.99 77.34 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 121.039 0.447 . . . . 0.0 110.723 -178.226 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 16.8 ttp180 -59.47 -18.06 36.64 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 115.664 -0.698 . . . . 0.0 112.26 179.587 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.627 HD11 ' HB3' ' A' ' 81' ' ' LEU . 64.1 mt -68.24 -27.41 66.33 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.566 -177.266 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 32.4 t -77.95 -2.9 39.18 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.994 -177.385 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 66.4 m -85.19 155.08 21.58 Favored 'General case' 0 N--CA 1.44 -0.933 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 174.925 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.79 -16.18 57.01 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.737 -175.847 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -57.43 -55.33 36.15 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.756 179.462 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.551 ' O ' HG23 ' A' ' 39' ' ' VAL . . . -60.79 -47.79 84.75 Favored 'General case' 0 CA--C 1.515 -0.39 0 CA-C-O 120.9 0.381 . . . . 0.0 110.059 176.841 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -56.63 -17.21 7.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.863 -178.425 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 45.1 m -94.73 -16.52 22.99 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 112.26 0.467 . . . . 0.0 112.26 179.395 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 62.2 mtp85 -103.01 -42.89 5.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.757 0.789 . . . . 0.0 109.443 178.936 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.551 HG23 ' O ' ' A' ' 35' ' ' ALA . 40.7 t -61.66 -40.77 87.86 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-N 114.772 -1.104 . . . . 0.0 111.04 -179.648 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 84.0 p -75.32 -8.27 56.21 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.956 0.408 . . . . 0.0 111.419 -178.132 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 33.6 t -88.76 -16.95 30.89 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.271 0.558 . . . . 0.0 109.836 179.228 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 46.6 m-80 -116.28 -1.68 12.3 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.444 -173.718 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.46 HG13 ' N ' ' A' ' 44' ' ' ALA . 4.0 pt -58.76 -41.73 83.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.055 177.455 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.46 ' N ' HG13 ' A' ' 43' ' ' ILE . . . -77.46 -16.05 58.98 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.939 0.399 . . . . 0.0 110.726 -176.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -78.14 -51.07 10.82 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.244 -179.531 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.535 HG21 ' HB3' ' A' ' 87' ' ' LEU . 45.3 mt -68.26 -31.01 49.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.302 179.728 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.688 ' HB1' HD13 ' B' ' 96' ' ' ILE . . . -62.91 -28.17 69.87 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.008 178.544 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 36.3 t -95.58 -51.06 4.69 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.133 -178.335 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -80.09 -24.56 59.36 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.532 -0.842 . . . . 0.0 113.181 -175.265 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 72.15 -78.99 0.65 Allowed Glycine 0 N--CA 1.449 -0.466 0 N-CA-C 111.765 -0.534 . . . . 0.0 111.765 -179.06 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -116.22 -22.48 8.86 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 115.151 -0.524 . . . . 0.0 110.543 179.772 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 31.0 t -74.45 -14.42 60.84 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.253 0.549 . . . . 0.0 110.525 -178.18 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -89.24 -17.8 28.31 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.77 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.469 HD11 HG11 ' B' ' 88' ' ' VAL . 40.4 mt -54.4 -57.25 19.44 Favored Pre-proline 0 C--N 1.326 -0.438 0 CA-C-N 116.104 -0.498 . . . . 0.0 112.04 -175.779 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.449 ' HD2' ' N ' ' A' ' 54' ' ' LEU . 18.4 Cg_endo -60.88 -22.34 73.71 Favored 'Trans proline' 0 C--N 1.351 0.679 0 C-N-CA 122.221 1.947 . . . . 0.0 112.481 -176.807 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 15.2 m -88.02 -42.25 12.55 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.986 0.422 . . . . 0.0 110.502 -179.695 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 74.7 t -76.38 -41.41 35.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.322 -174.187 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.534 HG12 ' HG ' ' A' ' 83' ' ' LEU . 55.6 mt -57.63 -40.71 76.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.294 176.753 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 4.4 t -70.35 -39.4 74.69 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.14 -178.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 88.3 m-20 -58.64 -44.49 90.06 Favored 'General case' 0 CA--C 1.517 -0.309 0 CA-C-O 121.337 0.589 . . . . 0.0 110.828 178.464 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.493 HG21 ' HB2' ' A' ' 82' ' ' GLU . 62.4 mt -76.08 -47.53 31.33 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.108 -179.256 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.459 ' O ' HG23 ' A' ' 66' ' ' VAL . 53.3 t80 -52.75 -55.34 23.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.973 -178.669 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 8.1 t -63.47 -29.73 70.96 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.515 -177.202 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -69.82 -34.84 72.24 Favored Glycine 0 N--CA 1.448 -0.511 0 C-N-CA 120.923 -0.656 . . . . 0.0 112.176 -178.943 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.539 HG12 HG11 ' A' ' 70' ' ' VAL . 39.9 t -81.95 -40.45 17.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 120.771 0.32 . . . . 0.0 110.73 179.83 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.459 HG23 ' O ' ' A' ' 62' ' ' TYR . 98.4 t -59.18 -36.6 63.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.86 179.549 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.69 -16.61 50.45 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.849 179.418 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 20.1 t -78.84 -22.2 46.48 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.839 0.352 . . . . 0.0 110.612 179.772 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 106.14 30.93 4.27 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.559 -0.829 . . . . 0.0 112.918 178.921 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.591 HG13 ' HB2' ' A' ' 75' ' ' ALA . 13.9 p -95.35 158.15 3.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 177.586 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 48.0 t -65.08 144.94 56.92 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.979 -0.378 . . . . 0.0 109.979 175.569 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 4.2 p -59.4 -41.74 90.13 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 112.173 0.434 . . . . 0.0 112.173 -176.216 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -69.57 -35.6 75.52 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.84 0.352 . . . . 0.0 110.352 -177.357 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.598 ' HA ' ' CE1' ' A' ' 23' ' ' TYR . 31.4 tt0 -77.89 -32.57 51.92 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.18 0.514 . . . . 0.0 109.963 178.859 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.591 ' HB2' HG13 ' A' ' 70' ' ' VAL . . . -61.65 -39.15 90.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.544 174.629 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.546 HD23 ' HB3' ' A' ' 118' ' ' TYR . 2.7 tm? -51.21 -52.67 42.25 Favored 'General case' 0 CA--C 1.517 -0.297 0 O-C-N 123.747 0.654 . . . . 0.0 109.927 178.129 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.745 ' O ' ' HG ' ' A' ' 81' ' ' LEU . 37.8 mm -58.9 -57.41 11.37 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.194 -177.786 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' GLN . . . . . 0.502 ' HB2' ' HB1' ' A' ' 26' ' ' ALA . 10.3 tt0 -56.61 -46.14 81.08 Favored 'General case' 0 N--CA 1.465 0.286 0 C-N-CA 121.179 -0.208 . . . . 0.0 111.373 179.82 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -59.09 -39.43 82.18 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.834 0.35 . . . . 0.0 110.814 179.732 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.477 ' O ' HD23 ' A' ' 84' ' ' LEU . 3.4 mm? -69.59 -37.12 76.79 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.049 177.005 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.745 ' HG ' ' O ' ' A' ' 77' ' ' ILE . 63.4 mt -68.45 -37.93 80.65 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 120.74 0.305 . . . . 0.0 110.84 -179.457 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.493 ' HB2' HG21 ' A' ' 61' ' ' ILE . 46.7 mt-10 -71.51 -21.0 61.98 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.355 0.598 . . . . 0.0 110.595 175.147 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.534 ' HG ' HG12 ' A' ' 58' ' ' ILE . 3.4 tm? -79.5 -45.87 18.49 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.629 176.581 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.504 HD22 HD12 ' A' ' 83' ' ' LEU . 4.5 mm? -74.8 0.76 14.35 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.791 -0.64 . . . . 0.0 112.116 -176.812 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.9 p -101.78 -30.6 11.2 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.984 0.421 . . . . 0.0 110.741 177.757 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.428 ' HB2' HG13 ' A' ' 39' ' ' VAL . . . -66.33 -47.91 71.97 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.291 0.567 . . . . 0.0 110.828 179.762 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.535 ' HB3' HG21 ' A' ' 46' ' ' ILE . 1.1 pp -77.21 -17.16 58.71 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 113.165 0.802 . . . . 0.0 113.165 -171.835 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.461 HG11 HD11 ' B' ' 54' ' ' LEU . 16.2 m -91.4 -19.91 6.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 C-N-CA 120.242 -0.583 . . . . 0.0 110.541 177.099 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 59.5 t60 -73.3 -37.2 66.3 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 176.824 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.414 ' HB ' ' CD1' ' B' ' 96' ' ' ILE . 26.8 m -66.28 -25.94 36.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.71 -175.451 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.642 ' HA ' ' HB3' ' A' ' 94' ' ' ALA . 2.9 mm? -66.65 -20.43 65.99 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.651 0.263 . . . . 0.0 111.061 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 32.3 t -66.63 -17.96 65.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.763 0.316 . . . . 0.0 110.844 -179.652 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.9 t -131.09 17.08 5.06 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.621 0.724 . . . . 0.0 109.674 177.156 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.642 ' HB3' ' HA ' ' A' ' 91' ' ' LEU . . . -107.45 96.53 6.47 Favored 'General case' 0 N--CA 1.446 -0.647 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.277 178.222 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 31.4 t -72.18 87.21 1.09 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.804 179.592 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.703 HD13 ' HB1' ' B' ' 47' ' ' ALA . 20.8 tt -71.04 148.76 10.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.796 -178.193 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -101.08 -114.49 3.77 Favored Glycine 0 C--N 1.334 0.417 0 CA-C-N 116.088 -0.505 . . . . 0.0 112.425 179.496 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 10.1 t30 -114.54 111.83 21.99 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.78 0.324 . . . . 0.0 110.516 -179.144 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.549 ' CG1' HD11 ' A' ' 96' ' ' ILE . 7.3 m -95.74 137.72 23.11 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-O 121.216 0.532 . . . . 0.0 111.21 -179.701 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.445 ' HB2' HG12 ' A' ' 102' ' ' VAL . 21.8 p -87.7 138.78 31.17 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.494 -0.775 . . . . 0.0 110.89 -177.701 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 5.5 p -86.62 32.11 0.66 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.185 0.517 . . . . 0.0 110.542 178.666 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.445 HG12 ' HB2' ' A' ' 100' ' ' SER . 10.3 p -139.93 142.48 32.0 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.556 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 -178.562 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 99.58 -10.06 60.84 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.887 -0.673 . . . . 0.0 111.687 -177.436 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.407 ' O ' HD12 ' A' ' 108' ' ' LEU . 25.8 t -59.78 -32.18 48.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.553 0.216 . . . . 0.0 110.71 177.525 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -52.03 -44.81 64.35 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 121.744 0.783 . . . . 0.0 110.1 177.47 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 9.5 m -71.04 -36.65 72.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.159 -0.928 . . . . 0.0 111.066 -179.223 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 26.0 m -63.83 -37.18 86.43 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.934 0.397 . . . . 0.0 110.95 179.787 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.678 ' O ' HG12 ' A' ' 111' ' ' VAL . 1.6 mt -61.12 -34.1 74.44 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.471 179.847 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 11.0 m-80 -61.21 -27.64 68.57 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.979 0.419 . . . . 0.0 111.221 176.02 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 30.1 t -81.78 -37.19 14.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.746 -178.166 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.678 HG12 ' O ' ' A' ' 108' ' ' LEU . 6.3 p -65.62 -30.14 49.21 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.234 0 CA-C-O 121.377 0.608 . . . . 0.0 109.897 -179.761 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 112' ' ' GLN . . . . . 0.658 ' HG3' ' O ' ' A' ' 108' ' ' LEU . 21.7 mt-30 -67.33 -25.44 66.01 Favored 'General case' 0 CA--C 1.521 -0.149 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.034 178.656 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -79.37 -33.16 43.09 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.243 -0.89 . . . . 0.0 110.418 -178.178 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 5.2 m -78.76 -39.29 36.51 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.341 -0.845 . . . . 0.0 112.21 -171.086 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 14.8 p -123.64 -14.21 5.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 120.961 0.41 . . . . 0.0 111.585 -173.305 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -59.41 -28.44 64.74 Favored Glycine 0 C--O 1.229 -0.203 0 C-N-CA 121.123 -0.56 . . . . 0.0 112.833 -177.811 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -86.44 1.65 50.59 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.794 0.33 . . . . 0.0 111.528 -179.241 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 118' ' ' TYR . . . . . 0.546 ' HB3' HD23 ' A' ' 76' ' ' LEU . 66.3 m-85 -111.5 -27.28 8.66 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.956 0.407 . . . . 0.0 110.334 178.101 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.478 ' O ' ' HB3' ' B' ' 22' ' ' SER . 35.8 m . . . . . 0 C--N 1.328 -0.335 0 CA-C-O 121.368 0.604 . . . . 0.0 110.257 173.272 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 22' ' ' SER . . . . . 0.478 ' HB3' ' O ' ' A' ' 119' ' ' VAL . 15.4 m . . . . . 0 N--CA 1.446 -0.663 0 N-CA-C 110.112 -0.329 . . . . 0.0 110.112 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -149.22 126.43 11.4 Favored 'General case' 0 N--CA 1.446 -0.646 0 CA-C-O 120.844 0.354 . . . . 0.0 110.595 -176.918 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 24' ' ' ALA . . . . . 0.459 ' HA ' HG23 ' B' ' 27' ' ' VAL . . . -86.65 -16.21 37.32 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.084 179.16 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -66.19 -24.3 71.87 Favored Glycine 0 C--N 1.33 0.197 0 C-N-CA 120.974 -0.631 . . . . 0.0 112.414 -178.686 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 26' ' ' ALA . . . . . 0.517 ' HB1' ' HB2' ' B' ' 78' ' ' GLN . . . -76.7 -18.7 58.37 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.167 0.508 . . . . 0.0 110.473 177.185 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 27' ' ' VAL . . . . . 0.537 HG12 ' HG2' ' A' ' 112' ' ' GLN . 1.9 t -93.03 -45.79 13.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.575 -0.738 . . . . 0.0 110.602 -176.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 58.3 m-20 -63.22 -25.15 68.2 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.542 -0.753 . . . . 0.0 111.482 -173.199 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 29' ' ' ARG . . . . . 0.413 ' HD2' ' OE1' ' B' ' 78' ' ' GLN . 17.7 ptp180 -84.17 0.25 49.37 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.417 -176.474 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 30' ' ' LEU . . . . . 0.543 HD11 ' HB3' ' B' ' 81' ' ' LEU . 85.3 mt -75.64 -21.35 57.79 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.096 0.474 . . . . 0.0 110.809 -179.446 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 38.9 t -80.71 12.82 2.91 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.301 0.572 . . . . 0.0 110.358 179.6 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 60.4 m -100.79 151.05 22.15 Favored 'General case' 0 N--CA 1.437 -1.118 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.144 175.875 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.18 -19.22 62.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.733 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -52.57 -56.92 11.9 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.489 176.231 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 35' ' ' ALA . . . . . 0.704 ' O ' HG23 ' B' ' 39' ' ' VAL . . . -61.03 -53.33 58.58 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.187 176.732 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -49.79 -31.99 12.93 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.886 -176.286 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 55.9 m -72.9 -28.94 62.77 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.108 -0.497 . . . . 0.0 112.025 -179.215 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 49.3 mtp85 -95.01 -40.66 9.54 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.598 0.714 . . . . 0.0 109.356 -176.569 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 39' ' ' VAL . . . . . 0.704 HG23 ' O ' ' B' ' 35' ' ' ALA . 15.7 t -63.68 -42.14 95.02 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.777 0 CA-C-N 114.841 -1.072 . . . . 0.0 110.749 -179.54 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 40' ' ' SER . . . . . 0.522 ' O ' HG12 ' B' ' 43' ' ' ILE . 90.4 p -72.58 -12.86 61.23 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-O 120.944 0.402 . . . . 0.0 111.039 -179.074 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 35.1 t -87.63 -11.37 48.69 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.989 0.423 . . . . 0.0 110.308 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 39.0 m-80 -116.66 -4.9 11.64 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.224 -175.073 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 43' ' ' ILE . . . . . 0.532 HG13 ' N ' ' B' ' 44' ' ' ALA . 6.4 pt -59.01 -41.54 83.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 121.019 0.438 . . . . 0.0 110.934 177.129 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 44' ' ' ALA . . . . . 0.532 ' N ' HG13 ' B' ' 43' ' ' ILE . . . -80.54 -7.27 59.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.108 0.48 . . . . 0.0 110.821 -176.678 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -86.3 -49.53 7.61 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.922 178.301 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 46' ' ' ILE . . . . . 0.481 HG21 ' HB3' ' B' ' 87' ' ' LEU . 39.9 mt -68.86 -34.52 64.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.483 179.291 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 47' ' ' ALA . . . . . 0.703 ' HB1' HD13 ' A' ' 96' ' ' ILE . . . -66.75 -8.0 25.12 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.721 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 45.4 t -104.63 -47.46 4.06 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.044 -179.1 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -98.27 -15.71 34.64 Favored Glycine 0 C--N 1.331 0.285 0 C-N-CA 120.466 -0.873 . . . . 0.0 113.546 -175.127 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 69.95 -81.37 0.34 Allowed Glycine 0 N--CA 1.45 -0.426 0 N-CA-C 111.761 -0.536 . . . . 0.0 111.761 -179.284 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -109.04 -25.6 10.61 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-O 121.093 0.473 . . . . 0.0 110.477 -179.259 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 25.8 t -73.4 -11.11 60.36 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.374 -178.797 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -89.66 -20.73 23.31 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.684 -179.653 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 54' ' ' LEU . . . . . 0.461 HD11 HG11 ' A' ' 88' ' ' VAL . 45.2 mt -52.06 -56.61 20.25 Favored Pre-proline 0 CA--C 1.534 0.35 0 CA-C-N 115.923 -0.581 . . . . 0.0 112.015 -176.819 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 55' ' ' PRO . . . . . 0.453 ' HD2' ' N ' ' B' ' 54' ' ' LEU . 26.1 Cg_endo -62.67 -18.92 66.46 Favored 'Trans proline' 0 C--N 1.352 0.754 0 C-N-CA 122.042 1.828 . . . . 0.0 112.501 -176.918 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 40.2 m -92.82 -36.88 12.61 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.116 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 69.8 t -81.5 -41.01 18.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.43 -173.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 58' ' ' ILE . . . . . 0.461 HG12 ' HG ' ' B' ' 83' ' ' LEU . 74.2 mt -58.92 -37.88 69.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.925 -0.579 . . . . 0.0 109.841 176.94 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 32.9 t -69.36 -40.53 77.41 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.241 179.741 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 -56.54 -42.29 78.25 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 121.318 0.58 . . . . 0.0 110.438 178.93 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 61' ' ' ILE . . . . . 0.49 ' O ' HG23 ' B' ' 65' ' ' VAL . 64.2 mt -82.17 -48.03 18.65 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.599 -178.101 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 62' ' ' TYR . . . . . 0.427 ' O ' HG23 ' B' ' 66' ' ' VAL . 47.8 t80 -55.57 -50.84 69.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.589 -0.278 . . . . 0.0 110.977 -175.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 42.2 m -61.09 -28.84 69.37 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.912 179.801 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -73.33 -43.5 38.12 Favored Glycine 0 N--CA 1.447 -0.568 0 C-N-CA 120.947 -0.645 . . . . 0.0 111.664 178.073 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 65' ' ' VAL . . . . . 0.737 HG12 HG11 ' B' ' 70' ' ' VAL . 50.8 t -65.68 -45.61 91.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-O 120.919 0.39 . . . . 0.0 111.025 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 66' ' ' VAL . . . . . 0.427 HG23 ' O ' ' B' ' 62' ' ' TYR . 86.5 t -60.68 -39.97 83.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.945 -179.552 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -70.68 -5.27 28.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.782 179.444 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 23.9 t -86.73 -8.63 57.22 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.942 0.401 . . . . 0.0 110.616 179.347 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 84.18 37.4 11.23 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.675 -0.774 . . . . 0.0 111.847 -178.404 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 70' ' ' VAL . . . . . 0.737 HG11 HG12 ' B' ' 65' ' ' VAL . 14.4 p -87.08 160.63 2.96 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.797 0 N-CA-C 109.959 -0.386 . . . . 0.0 109.959 178.928 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 21.3 t -61.4 135.63 57.76 Favored 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 109.049 -0.723 . . . . 0.0 109.049 172.788 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 3.1 p -49.41 -49.12 46.23 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 113.22 0.822 . . . . 0.0 113.22 -172.41 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 63.2 t30 -80.92 -26.79 36.47 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 120.82 -0.352 . . . . 0.0 110.878 -176.339 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -69.37 -28.61 66.35 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 121.022 0.439 . . . . 0.0 110.204 177.892 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 75' ' ' ALA . . . . . 0.43 ' HB2' ' CG1' ' B' ' 70' ' ' VAL . . . -56.59 -40.56 75.46 Favored 'General case' 0 CA--C 1.519 -0.223 0 CA-C-N 115.749 -0.66 . . . . 0.0 111.235 178.291 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 76' ' ' LEU . . . . . 0.513 HD23 ' HB3' ' B' ' 118' ' ' TYR . 2.8 tm? -56.52 -48.29 77.55 Favored 'General case' 0 CA--C 1.518 -0.282 0 CA-C-N 115.912 -0.585 . . . . 0.0 109.868 178.829 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 77' ' ' ILE . . . . . 0.74 ' O ' ' HG ' ' B' ' 81' ' ' LEU . 39.2 mm -61.81 -55.59 23.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.097 -176.43 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 78' ' ' GLN . . . . . 0.517 ' HB2' ' HB1' ' B' ' 26' ' ' ALA . 24.1 tt0 -58.25 -45.73 87.25 Favored 'General case' 0 N--CA 1.464 0.262 0 C-N-CA 120.989 -0.284 . . . . 0.0 111.057 179.285 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -57.85 -40.8 80.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.6 -179.651 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 80' ' ' LEU . . . . . 0.438 ' O ' ' HB3' ' B' ' 83' ' ' LEU . 2.8 mm? -67.93 -49.78 59.89 Favored 'General case' 0 N--CA 1.444 -0.748 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.095 175.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 81' ' ' LEU . . . . . 0.74 ' HG ' ' O ' ' B' ' 77' ' ' ILE . 73.0 mt -55.84 -42.57 75.98 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.521 0.201 . . . . 0.0 111.311 -176.391 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -64.94 -40.13 94.56 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.994 0.426 . . . . 0.0 110.548 175.291 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 83' ' ' LEU . . . . . 0.461 ' HG ' HG12 ' B' ' 58' ' ' ILE . 3.3 tm? -58.72 -48.37 81.37 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.059 175.297 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 84' ' ' LEU . . . . . 0.451 HD11 HD21 ' A' ' 84' ' ' LEU . 7.8 mp -61.12 -16.12 40.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.834 -179.647 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 40.4 m -93.69 -33.71 13.54 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.983 0.421 . . . . 0.0 111.092 -174.454 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 86' ' ' ALA . . . . . 0.47 ' O ' HG13 ' B' ' 90' ' ' VAL . . . -67.16 -43.22 82.81 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.932 -177.667 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 87' ' ' LEU . . . . . 0.481 ' HB3' HG21 ' B' ' 46' ' ' ILE . 1.1 pp -82.11 -14.12 56.23 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 113.096 0.776 . . . . 0.0 113.096 -171.433 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 88' ' ' VAL . . . . . 0.469 HG11 HD11 ' A' ' 54' ' ' LEU . 16.7 m -94.42 -22.46 5.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 C-N-CA 120.278 -0.569 . . . . 0.0 110.725 176.361 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 89' ' ' HIS . . . . . . . . . . . . . 52.5 t60 -70.96 -34.08 71.08 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 176.657 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 90' ' ' VAL . . . . . 0.47 HG13 ' O ' ' B' ' 86' ' ' ALA . 27.0 m -66.47 -26.56 37.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.545 -175.726 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 91' ' ' LEU . . . . . 0.694 ' HA ' ' HB3' ' B' ' 94' ' ' ALA . 3.4 mm? -65.43 -20.03 66.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.642 -0.254 . . . . 0.0 111.059 -179.547 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 35.2 t -58.27 -33.1 69.03 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.91 0.386 . . . . 0.0 110.562 177.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 12.7 t -119.72 15.85 12.72 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.49 0.662 . . . . 0.0 109.753 -179.38 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 94' ' ' ALA . . . . . 0.694 ' HB3' ' HA ' ' B' ' 91' ' ' LEU . . . -104.47 96.96 6.96 Favored 'General case' 0 N--CA 1.446 -0.65 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.68 178.292 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 45.8 t -73.28 91.43 1.7 Allowed 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 176.692 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 96' ' ' ILE . . . . . 0.688 HD13 ' HB1' ' A' ' 47' ' ' ALA . 19.0 tt -74.28 142.87 14.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.921 -179.216 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 97' ' ' GLY . . . . . . . . . . . . . . . -90.5 -112.06 1.55 Allowed Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.878 -0.677 . . . . 0.0 112.249 179.492 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 98' ' ' ASN . . . . . . . . . . . . . 10.1 t30 -122.43 108.3 13.04 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.882 0.372 . . . . 0.0 110.44 -179.399 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 99' ' ' VAL . . . . . 0.56 ' CG1' HD11 ' B' ' 96' ' ' ILE . 5.4 m -89.34 134.75 27.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-O 121.142 0.496 . . . . 0.0 111.353 -178.258 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 100' ' ' SER . . . . . . . . . . . . . 18.7 p -85.38 142.07 29.55 Favored 'General case' 0 N--CA 1.446 -0.654 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.464 179.594 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 2.9 p -84.43 10.39 10.89 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.457 0.646 . . . . 0.0 110.243 176.5 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 60.8 t -114.64 126.81 72.28 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.68 0 CA-C-N 115.345 -0.843 . . . . 0.0 109.827 -177.337 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . 113.91 -9.45 23.29 Favored Glycine 0 N--CA 1.448 -0.516 0 CA-C-N 115.846 -0.615 . . . . 0.0 112.332 178.81 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 104' ' ' VAL . . . . . . . . . . . . . 15.9 t -61.69 -31.42 50.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.651 0.262 . . . . 0.0 110.342 179.125 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -51.69 -37.91 52.78 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 115.518 -0.765 . . . . 0.0 110.356 177.856 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 106' ' ' SER . . . . . 0.445 ' O ' ' HB2' ' B' ' 109' ' ' ASN . 17.4 m -83.45 -35.55 24.88 Favored 'General case' 0 N--CA 1.454 -0.225 0 CA-C-N 115.802 -0.636 . . . . 0.0 111.51 -178.931 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 37.8 m -62.46 -32.61 73.52 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.102 0.477 . . . . 0.0 110.387 178.48 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 108' ' ' LEU . . . . . 0.563 ' O ' ' HG3' ' B' ' 112' ' ' GLN . 3.0 mt -61.48 -23.31 65.81 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.444 -0.798 . . . . 0.0 111.195 176.746 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 109' ' ' ASN . . . . . 0.445 ' HB2' ' O ' ' B' ' 106' ' ' SER . 4.9 m-20 -65.83 -33.9 76.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.152 0.501 . . . . 0.0 110.243 176.066 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 110' ' ' VAL . . . . . . . . . . . . . 29.4 t -80.33 -34.12 14.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.968 -175.483 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 111' ' ' VAL . . . . . 0.532 HG12 ' O ' ' B' ' 108' ' ' LEU . 9.6 p -67.26 -26.3 35.84 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.349 0 CA-C-O 121.247 0.546 . . . . 0.0 110.145 -179.181 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 112' ' ' GLN . . . . . 0.563 ' HG3' ' O ' ' B' ' 108' ' ' LEU . 24.8 mt-30 -74.81 -22.31 58.79 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.813 179.412 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 113' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -79.68 -39.44 31.3 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.204 -0.907 . . . . 0.0 110.705 -175.442 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 4.6 p -80.68 -43.21 20.72 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.12 -0.946 . . . . 0.0 112.517 -170.398 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 115' ' ' VAL . . . . . 0.502 HG12 ' O ' ' B' ' 111' ' ' VAL . 10.4 p -105.92 -17.86 7.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-O 121.018 0.437 . . . . 0.0 111.117 -174.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 116' ' ' GLY . . . . . . . . . . . . . . . -62.29 -21.92 62.6 Favored Glycine 0 C--O 1.228 -0.27 0 C-N-CA 121.091 -0.576 . . . . 0.0 112.621 -179.178 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -86.51 -3.52 59.03 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 111.687 0.254 . . . . 0.0 111.687 -179.231 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 118' ' ' TYR . . . . . 0.513 ' HB3' HD23 ' B' ' 76' ' ' LEU . 77.3 m-85 -111.98 -28.13 8.14 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.926 0.394 . . . . 0.0 110.874 178.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 119' ' ' VAL . . . . . . . . . . . . . 34.2 m -89.45 -5.23 10.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.83 176.592 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.878 -0.957 . . . . 0.0 111.545 179.403 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.457 ' HB3' ' O ' ' B' ' 119' ' ' VAL . 37.8 m . . . . . 0 N--CA 1.451 -0.391 0 CA-C-O 120.404 0.145 . . . . 0.0 111.171 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.447 ' OH ' ' HB3' ' A' ' 73' ' ' ASN . 0.0 OUTLIER -157.64 131.79 8.22 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.739 177.412 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -89.77 -11.27 42.68 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 121.169 0.509 . . . . 0.0 110.058 174.624 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -67.2 -31.1 76.56 Favored Glycine 0 CA--C 1.507 -0.453 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.841 -176.784 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -69.71 -15.85 63.23 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.26 0.552 . . . . 0.0 110.165 176.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.589 ' CG1' ' HA ' ' B' ' 112' ' ' GLN . 3.9 t -92.18 -43.23 13.84 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.733 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.385 -176.097 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 24.6 m120 -62.08 -33.89 75.26 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 121.082 0.468 . . . . 0.0 110.362 -179.294 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 35.7 ttp180 -66.99 -12.91 61.21 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-N 115.258 -0.883 . . . . 0.0 112.192 -178.316 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.658 HD11 ' HB3' ' A' ' 81' ' ' LEU . 90.8 mt -69.45 -24.85 63.86 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.007 0.373 . . . . 0.0 112.007 -177.603 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 24.1 p -69.82 -13.35 62.22 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.436 -174.116 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 42.1 t -71.75 150.31 44.57 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.187 -0.46 . . . . 0.0 109.951 178.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.68 -12.0 41.76 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.92 0.39 . . . . 0.0 111.238 -178.664 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -61.1 -56.08 25.08 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.357 178.888 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.526 ' O ' HG23 ' A' ' 39' ' ' VAL . . . -57.98 -46.95 84.37 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.654 175.052 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -56.42 -19.11 13.46 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.034 -0.53 . . . . 0.0 112.059 -178.697 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 40.0 m -95.44 -23.84 16.95 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.521 -0.309 . . . . 0.0 111.783 179.46 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.557 ' NH1' ' HA ' ' A' ' 61' ' ' ILE . 8.4 mtp180 -91.52 -43.14 9.86 Favored 'General case' 0 CA--C 1.516 -0.335 0 CA-C-O 121.591 0.71 . . . . 0.0 109.483 -179.133 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.526 HG23 ' O ' ' A' ' 35' ' ' ALA . 61.4 t -60.4 -40.41 84.01 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.86 0 CA-C-N 114.434 -1.257 . . . . 0.0 110.42 177.88 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 78.7 p -76.46 -8.12 56.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.1 -179.21 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 48.1 t -91.78 -8.05 47.84 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.208 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 46.2 m-80 -122.2 -4.66 8.94 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.269 -177.277 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.502 HG13 ' N ' ' A' ' 44' ' ' ALA . 5.0 pt -58.2 -42.56 83.71 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.133 0 CA-C-O 120.839 0.352 . . . . 0.0 111.229 179.349 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.502 ' N ' HG13 ' A' ' 43' ' ' ILE . . . -75.41 -15.7 60.42 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.097 0.475 . . . . 0.0 111.181 -175.652 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -80.47 -52.56 7.5 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.285 -178.8 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.453 HG21 ' HB3' ' A' ' 87' ' ' LEU . 33.4 mt -65.95 -34.24 68.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.441 -179.831 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.766 ' HB1' HD13 ' B' ' 96' ' ' ILE . . . -61.01 -26.21 67.44 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.201 179.243 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 38.6 m -95.87 -42.2 8.44 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.42 -176.582 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -91.05 -21.09 36.84 Favored Glycine 0 CA--C 1.518 0.276 0 C-N-CA 120.62 -0.8 . . . . 0.0 113.422 -175.359 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 73.68 -77.01 0.95 Allowed Glycine 0 N--CA 1.451 -0.356 0 N-CA-C 111.667 -0.573 . . . . 0.0 111.667 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -120.99 -22.84 6.02 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-O 121.019 0.437 . . . . 0.0 110.536 179.449 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 9.0 t -72.73 -13.81 61.42 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.274 0.559 . . . . 0.0 110.122 -177.64 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -88.31 -17.18 31.21 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.83 -179.263 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.45 ' N ' ' HD2' ' A' ' 55' ' ' PRO . 43.7 mt -54.92 -57.55 18.89 Favored Pre-proline 0 C--N 1.327 -0.397 0 CA-C-N 116.027 -0.533 . . . . 0.0 112.097 -175.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.45 ' HD2' ' N ' ' A' ' 54' ' ' LEU . 17.0 Cg_endo -59.04 -24.29 72.8 Favored 'Trans proline' 0 C--N 1.35 0.628 0 C-N-CA 122.21 1.94 . . . . 0.0 112.519 -177.193 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 24.9 m -88.78 -39.8 13.66 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.984 0.421 . . . . 0.0 110.915 -179.456 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 59.2 t -76.44 -37.8 31.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 121.098 0.475 . . . . 0.0 110.144 -175.526 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.471 HG12 HD22 ' A' ' 83' ' ' LEU . 64.9 mt -57.6 -43.39 83.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.925 174.829 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 22.6 t -68.02 -38.17 82.26 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.2 -0.454 . . . . 0.0 109.969 -178.582 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -59.81 -49.17 78.76 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.813 179.191 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.557 ' HA ' ' NH1' ' A' ' 38' ' ' ARG . 50.6 mt -74.78 -47.26 38.69 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.175 -178.17 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.451 ' O ' HG23 ' A' ' 66' ' ' VAL . 43.4 t80 -53.5 -53.6 49.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.982 -178.703 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 42.7 t -59.87 -32.13 70.42 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.971 0.415 . . . . 0.0 110.75 -179.695 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.526 ' HA3' ' NH1' ' A' ' 38' ' ' ARG . . . -66.52 -40.22 94.2 Favored Glycine 0 C--N 1.329 0.191 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.004 -179.398 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.754 HG12 HG11 ' A' ' 70' ' ' VAL . 18.6 t -78.4 -42.4 26.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-O 120.819 0.343 . . . . 0.0 111.044 -178.841 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.451 HG23 ' O ' ' A' ' 62' ' ' TYR . 94.5 t -60.1 -37.1 71.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.046 -179.161 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -70.88 -5.72 32.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.51 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 11.9 t -90.0 -11.96 40.04 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.6 -0.273 . . . . 0.0 110.537 179.237 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 96.61 30.28 7.74 Favored Glycine 0 C--N 1.331 0.265 0 C-N-CA 120.624 -0.798 . . . . 0.0 112.847 178.141 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.754 HG11 HG12 ' A' ' 65' ' ' VAL . 11.6 p -91.13 159.25 2.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 N-CA-C 110.221 -0.289 . . . . 0.0 110.221 178.182 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 27.1 t -66.77 147.16 53.62 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 110.105 -0.332 . . . . 0.0 110.105 175.302 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 6.4 p -58.62 -44.69 90.07 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 112.43 0.53 . . . . 0.0 112.43 -173.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ASN . . . . . 0.447 ' HB3' ' OH ' ' A' ' 23' ' ' TYR . 0.2 OUTLIER -73.14 -35.92 66.58 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.881 -0.328 . . . . 0.0 110.428 -176.231 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -70.52 -34.1 71.92 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 176.936 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.548 ' HB2' HG13 ' A' ' 70' ' ' VAL . . . -58.94 -40.2 83.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.635 175.589 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.491 HD23 ' HB3' ' A' ' 118' ' ' TYR . 2.7 tm? -56.75 -54.23 48.6 Favored 'General case' 0 CA--C 1.517 -0.298 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 176.202 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.757 ' O ' ' HG ' ' A' ' 81' ' ' LEU . 39.5 mm -58.49 -56.97 13.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 115.461 -0.79 . . . . 0.0 110.714 -178.738 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' GLN . . . . . 0.545 ' HG2' HG11 ' A' ' 65' ' ' VAL . 24.6 tp60 -51.94 -48.9 64.06 Favored 'General case' 0 N--CA 1.467 0.391 0 O-C-N 123.249 0.343 . . . . 0.0 111.366 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.92 -40.13 96.67 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.061 -178.755 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.541 ' O ' HD23 ' A' ' 84' ' ' LEU . 3.6 mm? -67.93 -37.59 81.83 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.971 178.531 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.757 ' HG ' ' O ' ' A' ' 77' ' ' ILE . 59.5 mt -63.52 -46.19 87.16 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.845 0.355 . . . . 0.0 110.357 178.779 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -61.15 -42.71 99.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.569 176.315 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.533 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 57.5 tp -59.2 -46.41 88.51 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.95 177.535 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.725 HD21 HD21 ' B' ' 84' ' ' LEU . 3.7 mm? -69.4 -1.42 8.33 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.719 -178.023 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 20.3 m -102.78 -27.93 12.39 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.019 0.438 . . . . 0.0 110.403 176.757 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -75.48 -46.42 32.54 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.16 0.505 . . . . 0.0 110.672 -176.691 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.533 ' HG ' ' O ' ' A' ' 83' ' ' LEU . 1.0 OUTLIER -78.7 -13.97 59.54 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.585 -0.734 . . . . 0.0 112.849 -172.319 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.481 HG13 HD12 ' A' ' 87' ' ' LEU . 17.4 m -94.78 -27.47 4.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 C-N-CA 120.547 -0.461 . . . . 0.0 110.795 177.049 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 70.0 t60 -65.83 -34.46 78.2 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 178.737 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 33.1 m -65.16 -26.82 40.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.111 -175.863 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.562 ' HA ' ' HB3' ' A' ' 94' ' ' ALA . 3.9 mm? -67.05 -21.25 65.91 Favored 'General case' 0 N--CA 1.462 0.147 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.273 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 34.9 t -71.03 -17.8 62.6 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.826 0.346 . . . . 0.0 111.049 -179.792 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' SER . . . . . 0.646 ' HB2' HG12 ' B' ' 99' ' ' VAL . 73.5 m -119.33 -9.88 9.82 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.624 0.725 . . . . 0.0 110.454 178.496 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.562 ' HB3' ' HA ' ' A' ' 91' ' ' LEU . . . -88.46 104.12 16.51 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.114 -0.948 . . . . 0.0 111.27 -179.666 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 12.2 t -75.16 87.99 2.45 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.457 -0.571 . . . . 0.0 109.457 176.188 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.725 HD13 ' HB1' ' B' ' 47' ' ' ALA . 20.8 tt -70.41 145.18 13.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.339 -177.864 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -94.12 -99.06 1.6 Allowed Glycine 0 N--CA 1.446 -0.656 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.204 179.301 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -133.12 111.6 11.07 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.844 0.354 . . . . 0.0 111.077 -177.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.57 ' CG1' HD11 ' A' ' 96' ' ' ILE . 13.1 m -93.18 153.66 3.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.438 177.129 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 48.5 m -129.75 147.96 51.58 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.644 -178.475 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' SER . . . . . 0.477 ' HB3' ' HB2' ' B' ' 40' ' ' SER . 21.3 m -74.63 -6.29 47.84 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.737 -177.06 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 60.7 t -88.11 108.79 18.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.791 -176.409 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 124.44 -11.75 8.0 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.852 -0.689 . . . . 0.0 112.888 176.602 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 46.9 t -59.83 -29.28 42.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.431 0.158 . . . . 0.0 111.185 -178.845 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -48.8 -46.48 41.76 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-O 121.404 0.621 . . . . 0.0 110.507 178.464 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 15.5 m -70.42 -25.33 63.17 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.452 -0.795 . . . . 0.0 111.523 -177.131 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 20.3 m -72.56 -35.71 68.05 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.874 0.369 . . . . 0.0 110.172 -178.14 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.576 ' O ' HG12 ' A' ' 111' ' ' VAL . 4.4 mm? -58.53 -37.82 76.45 Favored 'General case' 0 C--O 1.224 -0.28 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.371 175.529 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 16.1 m-80 -67.34 -21.46 65.64 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.68 -177.365 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 26.2 t -91.99 -37.56 9.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.187 -178.03 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.576 HG12 ' O ' ' A' ' 108' ' ' LEU . 7.9 p -61.04 -28.93 44.69 Favored 'Isoleucine or valine' 0 C--O 1.233 0.216 0 CA-C-O 121.256 0.551 . . . . 0.0 110.168 -179.827 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 112' ' ' GLN . . . . . 0.543 ' HG3' ' O ' ' A' ' 108' ' ' LEU . 24.1 mt-30 -64.47 -25.44 68.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.699 179.237 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -81.3 -38.65 26.45 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.419 -0.809 . . . . 0.0 110.263 -178.042 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 114' ' ' SER . . . . . 0.417 ' OG ' ' HD3' ' A' ' 55' ' ' PRO . 6.6 m -73.64 -43.38 59.68 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.172 -0.922 . . . . 0.0 112.107 -172.49 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.431 HG12 ' O ' ' A' ' 111' ' ' VAL . 10.8 p -117.52 -19.09 6.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 N-CA-C 112.114 0.413 . . . . 0.0 112.114 -172.166 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -61.64 -22.3 61.6 Favored Glycine 0 C--O 1.23 -0.152 0 C-N-CA 120.93 -0.653 . . . . 0.0 112.692 -177.523 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -91.34 4.41 52.46 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.547 0.213 . . . . 0.0 111.219 -179.53 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 118' ' ' TYR . . . . . 0.491 ' HB3' HD23 ' A' ' 76' ' ' LEU . 90.4 m-85 -113.0 -26.54 8.45 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.896 0.379 . . . . 0.0 110.229 177.74 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 35.2 m . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.67 176.017 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 26.5 m . . . . . 0 N--CA 1.445 -0.697 0 CA-C-O 120.488 0.185 . . . . 0.0 110.679 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 23' ' ' TYR . . . . . 0.446 ' CE1' ' HA ' ' B' ' 74' ' ' GLU . 0.2 OUTLIER -151.93 117.88 5.49 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.025 177.475 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -74.5 -27.11 60.41 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-O 121.226 0.536 . . . . 0.0 110.621 177.316 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.75 -28.88 72.38 Favored Glycine 0 N--CA 1.452 -0.287 0 CA-C-N 115.832 -0.622 . . . . 0.0 112.24 -179.11 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -76.05 -8.31 56.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.438 0.637 . . . . 0.0 110.346 178.163 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 27' ' ' VAL . . . . . 0.506 HG12 ' HG2' ' A' ' 112' ' ' GLN . 3.5 t -97.54 -42.86 11.92 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.076 178.887 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 28.1 m120 -60.93 -35.24 76.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.824 0.345 . . . . 0.0 110.843 -179.169 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 25.2 ttp180 -66.4 -14.67 62.47 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 116.04 -0.527 . . . . 0.0 112.165 -177.652 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 30' ' ' LEU . . . . . 0.631 HD11 ' HB3' ' B' ' 81' ' ' LEU . 91.5 mt -64.71 -25.5 67.97 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.917 -178.388 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 43.9 p -75.68 4.79 7.13 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.198 -177.442 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 47.0 t -94.65 166.11 12.18 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.365 178.871 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.32 -21.88 66.76 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.694 178.664 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -49.72 -58.89 4.44 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.784 179.046 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 35' ' ' ALA . . . . . 0.641 ' O ' HG23 ' B' ' 39' ' ' VAL . . . -65.69 -58.79 4.86 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.342 -0.845 . . . . 0.0 110.756 179.684 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -47.97 -36.01 11.82 Favored 'General case' 0 N--CA 1.464 0.268 0 N-CA-C 112.568 0.581 . . . . 0.0 112.568 -173.237 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 50.7 m -70.74 -30.41 66.93 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 112.359 0.504 . . . . 0.0 112.359 -178.465 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -93.02 -40.62 10.43 Favored 'General case' 0 CA--C 1.513 -0.478 0 CA-C-O 121.694 0.759 . . . . 0.0 109.7 -176.222 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 39' ' ' VAL . . . . . 0.641 HG23 ' O ' ' B' ' 35' ' ' ALA . 40.2 t -58.36 -45.38 89.56 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.919 0 CA-C-N 114.569 -1.196 . . . . 0.0 110.705 178.368 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 40' ' ' SER . . . . . 0.477 ' HB2' ' HB3' ' A' ' 101' ' ' SER . 89.0 p -77.72 -5.98 52.43 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.476 -177.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 34.3 t -90.1 -19.48 24.27 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.173 0.511 . . . . 0.0 109.983 179.69 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 38.0 m-80 -113.77 -0.3 14.28 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.093 -174.175 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 43' ' ' ILE . . . . . 0.459 HG23 ' O ' ' B' ' 39' ' ' VAL . 3.7 pt -59.76 -41.93 87.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.02 178.261 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 44' ' ' ALA . . . . . 0.455 ' N ' HG13 ' B' ' 43' ' ' ILE . . . -76.91 -11.63 59.84 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.865 0.364 . . . . 0.0 111.014 -176.249 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -83.26 -52.81 6.25 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.091 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 41.7 mt -64.98 -36.44 77.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.4 -179.495 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 47' ' ' ALA . . . . . 0.725 ' HB1' HD13 ' A' ' 96' ' ' ILE . . . -62.51 -24.93 67.75 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.49 -179.784 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 37.0 m -100.61 -9.96 21.42 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.67 -175.589 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -120.6 -29.18 1.61 Allowed Glycine 0 N--CA 1.453 -0.199 0 C-N-CA 120.339 -0.934 . . . . 0.0 113.08 -176.461 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 81.71 -78.33 1.96 Allowed Glycine 0 N--CA 1.447 -0.608 0 N-CA-C 111.41 -0.676 . . . . 0.0 111.41 -179.064 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -124.21 -20.09 5.37 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 121.099 0.476 . . . . 0.0 110.879 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 23.0 t -69.68 -18.89 63.59 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.476 -178.79 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -88.85 -15.7 33.84 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.94 -177.522 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 54' ' ' LEU . . . . . 0.469 HD11 HG11 ' A' ' 88' ' ' VAL . 43.4 mt -54.76 -58.18 15.63 Favored Pre-proline 0 CA--C 1.536 0.414 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.928 -176.004 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 55' ' ' PRO . . . . . 0.43 ' HD2' ' N ' ' B' ' 54' ' ' LEU . 19.6 Cg_endo -60.16 -25.96 81.29 Favored 'Trans proline' 0 C--N 1.354 0.857 0 C-N-CA 122.191 1.928 . . . . 0.0 112.304 -177.679 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 22.4 m -82.2 -42.09 19.45 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.914 -179.348 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 79.1 t -77.19 -38.55 27.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.257 -173.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 58' ' ' ILE . . . . . 0.512 HG12 HD22 ' B' ' 83' ' ' LEU . 67.7 mt -58.65 -41.31 81.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.053 175.113 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 15.6 t -66.59 -35.6 80.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.255 -178.205 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -65.72 -49.95 66.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.767 179.281 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 61' ' ' ILE . . . . . 0.481 ' O ' HG23 ' B' ' 65' ' ' VAL . 62.6 mt -73.48 -47.28 46.09 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.707 -176.281 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 62' ' ' TYR . . . . . 0.536 ' O ' HG23 ' B' ' 66' ' ' VAL . 36.8 t80 -54.62 -54.69 38.21 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.609 -0.269 . . . . 0.0 111.26 -177.565 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 5.2 t -63.66 -29.95 71.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.049 0.452 . . . . 0.0 110.094 -177.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -66.65 -41.81 93.71 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.939 -0.648 . . . . 0.0 111.791 178.182 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 65' ' ' VAL . . . . . 0.661 HG12 HG11 ' B' ' 70' ' ' VAL . 45.2 t -70.35 -41.42 78.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-O 120.776 0.322 . . . . 0.0 110.751 178.805 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 66' ' ' VAL . . . . . 0.536 HG23 ' O ' ' B' ' 62' ' ' TYR . 89.4 t -60.5 -37.36 74.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.799 -179.806 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -66.92 -12.64 60.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.124 -0.489 . . . . 0.0 112.039 179.346 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 48.4 t -78.92 -17.33 55.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.094 0.473 . . . . 0.0 110.346 178.301 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 92.71 38.25 5.57 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.627 -0.797 . . . . 0.0 111.699 -177.673 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 70' ' ' VAL . . . . . 0.661 HG11 HG12 ' B' ' 65' ' ' VAL . 13.7 p -91.23 163.39 2.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 N-CA-C 110.036 -0.357 . . . . 0.0 110.036 178.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 71' ' ' SER . . . . . 0.4 ' N ' HG22 ' B' ' 70' ' ' VAL . 38.1 t -61.69 136.74 58.12 Favored 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 109.079 -0.712 . . . . 0.0 109.079 172.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 19.3 m -55.5 -41.85 73.64 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 112.59 0.589 . . . . 0.0 112.59 -173.068 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -85.1 -23.38 28.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.936 0.398 . . . . 0.0 110.385 -176.852 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 74' ' ' GLU . . . . . 0.446 ' HA ' ' CE1' ' B' ' 23' ' ' TYR . 34.3 tt0 -72.5 -30.56 64.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.128 0.49 . . . . 0.0 109.927 176.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 75' ' ' ALA . . . . . 0.406 ' HB2' ' CG1' ' B' ' 70' ' ' VAL . . . -59.94 -32.52 70.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.471 -0.786 . . . . 0.0 111.264 178.752 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 76' ' ' LEU . . . . . 0.544 HD23 ' HB3' ' B' ' 118' ' ' TYR . 2.8 tm? -57.42 -53.78 54.31 Favored 'General case' 0 CA--C 1.517 -0.298 0 N-CA-C 109.684 -0.487 . . . . 0.0 109.684 177.54 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 77' ' ' ILE . . . . . 0.754 ' O ' ' HG ' ' B' ' 81' ' ' LEU . 37.7 mm -62.15 -54.47 33.96 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.905 -178.215 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 78' ' ' GLN . . . . . 0.43 ' HG2' HG11 ' B' ' 65' ' ' VAL . 33.6 tp60 -52.5 -49.71 64.22 Favored 'General case' 0 C--N 1.33 -0.259 0 O-C-N 123.193 0.308 . . . . 0.0 111.1 179.401 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.65 -40.15 94.94 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.917 -178.517 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 80' ' ' LEU . . . . . 0.569 ' O ' HD23 ' B' ' 84' ' ' LEU . 2.0 mm? -62.4 -45.64 92.23 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.65 177.413 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 81' ' ' LEU . . . . . 0.754 ' HG ' ' O ' ' B' ' 77' ' ' ILE . 55.4 mt -62.43 -39.31 92.89 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.82 0.343 . . . . 0.0 110.767 -178.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -62.69 -44.62 95.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.936 0.398 . . . . 0.0 110.26 174.753 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 83' ' ' LEU . . . . . 0.512 HD22 HG12 ' B' ' 58' ' ' ILE . 43.9 tp -61.04 -44.69 97.02 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.21 177.298 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 84' ' ' LEU . . . . . 0.725 HD21 HD21 ' A' ' 84' ' ' LEU . 3.9 mm? -60.27 -13.88 15.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.617 -0.72 . . . . 0.0 111.752 -178.8 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 85' ' ' SER . . . . . 0.424 ' OG ' HD13 ' A' ' 108' ' ' LEU . 20.4 m -98.52 -27.17 14.16 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.786 0.327 . . . . 0.0 111.075 -177.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -73.19 -44.03 60.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.318 0.58 . . . . 0.0 110.625 -176.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 87' ' ' LEU . . . . . 0.477 ' HG ' ' O ' ' B' ' 83' ' ' LEU . 1.0 OUTLIER -80.6 -14.25 58.35 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.409 -0.814 . . . . 0.0 112.689 -172.754 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 88' ' ' VAL . . . . . 0.448 HG11 HD11 ' A' ' 54' ' ' LEU . 16.0 m -93.46 -26.3 4.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 C-N-CA 120.554 -0.458 . . . . 0.0 110.895 176.86 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 89' ' ' HIS . . . . . . . . . . . . . 46.8 t60 -68.07 -34.69 76.89 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.069 0.461 . . . . 0.0 109.891 179.34 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 90' ' ' VAL . . . . . . . . . . . . . 33.5 m -65.48 -25.96 38.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.44 -176.438 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 91' ' ' LEU . . . . . 0.628 ' HA ' ' HB3' ' B' ' 94' ' ' ALA . 3.8 mm? -65.95 -24.51 66.82 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.622 -0.263 . . . . 0.0 111.232 -179.269 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 11.0 t -62.63 -30.54 71.43 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.086 0.469 . . . . 0.0 110.365 179.804 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 93' ' ' SER . . . . . 0.516 ' HB2' HG12 ' A' ' 99' ' ' VAL . 20.4 m -112.63 9.49 19.34 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.294 0.568 . . . . 0.0 110.394 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 94' ' ' ALA . . . . . 0.628 ' HB3' ' HA ' ' B' ' 91' ' ' LEU . . . -107.15 93.58 4.63 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.592 179.822 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 16.8 m -70.01 84.04 0.51 Allowed 'General case' 0 N--CA 1.429 -1.505 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.502 177.322 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 96' ' ' ILE . . . . . 0.766 HD13 ' HB1' ' A' ' 47' ' ' ALA . 20.1 tt -67.91 145.24 13.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.496 -0.775 . . . . 0.0 111.462 -176.749 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 97' ' ' GLY . . . . . . . . . . . . . . . -97.31 -108.64 2.62 Favored Glycine 0 N--CA 1.444 -0.799 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.15 178.184 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 98' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -115.51 115.19 26.08 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.678 0.275 . . . . 0.0 110.421 -176.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 99' ' ' VAL . . . . . 0.646 HG12 ' HB2' ' A' ' 93' ' ' SER . 3.0 m -103.65 115.37 45.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-O 121.139 0.495 . . . . 0.0 110.648 176.313 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 100' ' ' SER . . . . . . . . . . . . . 19.7 m -84.69 149.42 25.81 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.96 178.283 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 23.0 m -79.37 21.85 0.46 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.935 0.397 . . . . 0.0 111.336 -178.498 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 48.7 t -117.22 119.93 63.42 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.465 0 CA-C-O 120.973 0.416 . . . . 0.0 110.614 -176.136 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . 119.52 -12.61 11.07 Favored Glycine 0 N--CA 1.446 -0.666 0 CA-C-N 115.79 -0.641 . . . . 0.0 112.074 179.122 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 104' ' ' VAL . . . . . . . . . . . . . 26.4 t -60.44 -30.39 46.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 120.585 0.231 . . . . 0.0 110.716 -179.412 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -50.26 -42.07 51.44 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.704 179.534 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 8.8 m -72.07 -28.01 63.05 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 115.476 -0.784 . . . . 0.0 111.097 -178.561 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 18.1 m -73.33 -33.63 65.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.114 -176.309 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 108' ' ' LEU . . . . . 0.614 ' O ' ' HG3' ' B' ' 112' ' ' GLN . 4.2 mm? -58.84 -31.06 68.17 Favored 'General case' 0 C--O 1.223 -0.312 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.208 175.062 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 109' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -72.49 -23.36 61.02 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.602 -178.474 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 110' ' ' VAL . . . . . . . . . . . . . 17.6 t -86.28 -38.73 12.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.868 -177.032 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 111' ' ' VAL . . . . . 0.528 HG12 ' O ' ' B' ' 108' ' ' LEU . 10.1 p -61.78 -33.27 56.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 121.052 0.453 . . . . 0.0 110.096 179.636 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 112' ' ' GLN . . . . . 0.614 ' HG3' ' O ' ' B' ' 108' ' ' LEU . 23.3 mt-30 -64.33 -30.08 71.14 Favored 'General case' 0 CA--C 1.517 -0.303 0 CA-C-O 121.538 0.685 . . . . 0.0 110.239 179.17 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 113' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -79.18 -33.62 43.81 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 114.898 -1.046 . . . . 0.0 110.323 -177.329 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 114' ' ' SER . . . . . 0.425 ' OG ' ' HD3' ' B' ' 55' ' ' PRO . 11.5 m -79.97 -42.42 23.98 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 114.833 -1.076 . . . . 0.0 111.828 -171.641 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 115' ' ' VAL . . . . . 0.48 HG12 ' O ' ' B' ' 111' ' ' VAL . 14.5 p -118.82 -15.17 8.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 N-CA-C 112.109 0.411 . . . . 0.0 112.109 -172.007 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 116' ' ' GLY . . . . . . . . . . . . . . . -64.27 -18.01 62.36 Favored Glycine 0 C--O 1.229 -0.183 0 C-N-CA 120.846 -0.692 . . . . 0.0 113.355 -175.704 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -94.12 -3.81 50.39 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.762 0.315 . . . . 0.0 111.135 178.698 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 118' ' ' TYR . . . . . 0.544 ' HB3' HD23 ' B' ' 76' ' ' LEU . 96.7 m-85 -104.58 -24.32 13.0 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.981 0.42 . . . . 0.0 110.344 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 119' ' ' VAL . . . . . 0.457 ' O ' ' HB3' ' A' ' 22' ' ' SER . 27.7 m -85.32 -6.82 10.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.55 173.862 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.421 -1.211 . . . . 0.0 111.671 178.953 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.8 m . . . . . 0 CA--C 1.519 -0.239 0 CA-C-O 120.873 0.368 . . . . 0.0 111.29 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.509 ' CE1' ' HA ' ' A' ' 74' ' ' GLU . 0.0 OUTLIER -152.77 132.53 13.18 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.03 -177.385 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.436 ' HA ' HG23 ' A' ' 27' ' ' VAL . . . -96.19 -13.07 23.78 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.661 179.225 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.46 -33.6 87.68 Favored Glycine 0 CA--C 1.508 -0.364 0 C-N-CA 120.703 -0.761 . . . . 0.0 111.52 -179.155 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.61 ' HB1' ' HB2' ' A' ' 78' ' ' GLN . . . -66.29 -13.84 61.08 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.177 -0.511 . . . . 0.0 110.79 175.113 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.513 HG22 ' CD1' ' A' ' 81' ' ' LEU . 2.7 t -100.01 -43.84 11.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.941 -177.165 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 29.7 m120 -62.23 -38.95 91.17 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 120.724 -0.391 . . . . 0.0 111.047 -176.783 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.414 ' HD3' ' OE1' ' A' ' 78' ' ' GLN . 13.6 ptm180 -69.97 -3.51 16.47 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.645 -176.639 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.543 ' HB3' HD12 ' B' ' 108' ' ' LEU . 88.3 mt -68.85 -27.64 66.0 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.998 0.428 . . . . 0.0 110.604 178.371 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 32.6 p -75.46 -3.44 33.91 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.971 -179.731 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 41.7 t -86.31 168.49 13.83 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.624 178.528 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -68.19 -10.32 53.47 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.802 179.757 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.408 ' CD ' HH21 ' A' ' 29' ' ' ARG . 32.9 mt-10 -56.73 -65.0 0.69 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.396 178.284 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.409 ' O ' HG23 ' A' ' 39' ' ' VAL . . . -63.1 -50.71 69.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.714 -0.676 . . . . 0.0 111.363 -179.181 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.07 -8.94 3.75 Favored 'General case' 0 N--CA 1.466 0.332 0 N-CA-C 112.417 0.525 . . . . 0.0 112.417 -176.095 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 32.4 t -92.6 -31.24 15.24 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 120.81 0.338 . . . . 0.0 110.986 175.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 58.7 mtp85 -97.98 -41.86 7.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.286 0.565 . . . . 0.0 110.184 -173.395 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.448 HG13 ' HB2' ' A' ' 86' ' ' ALA . 67.6 t -58.81 -49.86 81.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-N 115.092 -0.958 . . . . 0.0 110.58 177.756 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.7 m -69.68 -6.46 31.77 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.492 -0.776 . . . . 0.0 111.993 -177.05 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 25.1 t -94.69 -17.32 22.34 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.172 0.511 . . . . 0.0 110.141 179.509 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 44.8 m-80 -113.23 0.63 14.94 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.196 -175.371 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.404 HG13 ' N ' ' A' ' 44' ' ' ALA . 3.1 pt -59.46 -41.62 85.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.098 177.894 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.404 ' N ' HG13 ' A' ' 43' ' ' ILE . . . -77.71 -12.46 59.97 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.922 0.391 . . . . 0.0 110.998 -177.682 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -80.94 -53.86 6.08 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.213 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 48.4 mt -64.98 -35.45 75.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.52 -179.399 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.803 ' HB1' HD13 ' B' ' 96' ' ' ILE . . . -59.53 -28.28 66.95 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.268 179.632 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 34.1 m -89.62 -32.27 17.17 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.67 -0.696 . . . . 0.0 111.64 -175.578 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -98.93 -56.99 0.99 Allowed Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.548 -0.834 . . . . 0.0 112.463 -178.352 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 105.47 -83.4 0.37 Allowed Glycine 0 N--CA 1.442 -0.914 0 N-CA-C 110.58 -1.008 . . . . 0.0 110.58 -175.05 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -110.21 -24.2 10.82 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-O 121.227 0.537 . . . . 0.0 110.035 177.694 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 16.5 p -71.58 -15.2 62.26 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.858 -179.472 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -91.52 -16.4 27.28 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.761 -178.759 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.516 HD11 HG11 ' B' ' 88' ' ' VAL . 57.4 mt -56.94 -58.7 15.92 Favored Pre-proline 0 C--N 1.327 -0.401 0 CA-C-N 116.088 -0.506 . . . . 0.0 112.033 -175.155 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.467 ' HD3' ' OG ' ' A' ' 114' ' ' SER . 19.1 Cg_endo -59.65 -25.1 77.92 Favored 'Trans proline' 0 C--N 1.353 0.8 0 C-N-CA 121.998 1.798 . . . . 0.0 112.126 -176.565 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 12.4 m -83.77 -42.11 16.86 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.854 -179.418 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 75.9 t -77.44 -37.48 25.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.151 -174.885 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.518 HG12 HD22 ' A' ' 83' ' ' LEU . 71.2 mt -59.26 -38.97 77.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.122 175.234 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 10.8 t -67.85 -40.89 83.6 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.231 -0.441 . . . . 0.0 109.955 -179.716 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 -60.35 -38.68 84.58 Favored 'General case' 0 CA--C 1.52 -0.198 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.904 179.598 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.404 ' O ' HG23 ' A' ' 65' ' ' VAL . 71.8 mt -84.94 -50.16 15.03 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.856 -178.052 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.454 ' O ' HG23 ' A' ' 66' ' ' VAL . 51.9 t80 -54.17 -50.21 67.52 Favored 'General case' 0 N--CA 1.465 0.313 0 N-CA-C 111.611 0.226 . . . . 0.0 111.611 -175.32 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 16.5 t -63.23 -28.48 70.06 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.153 0.501 . . . . 0.0 110.27 -179.101 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -72.92 -41.62 48.22 Favored Glycine 0 N--CA 1.447 -0.569 0 N-CA-C 111.176 -0.77 . . . . 0.0 111.176 178.048 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.7 HG12 HG11 ' A' ' 70' ' ' VAL . 91.1 t -64.08 -47.76 88.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 115.269 -0.466 . . . . 0.0 110.911 178.034 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.454 HG23 ' O ' ' A' ' 62' ' ' TYR . 64.5 t -61.68 -35.35 66.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.854 -179.731 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -74.96 -2.1 25.59 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.738 179.067 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 30.7 t -87.53 -10.28 52.11 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.752 0.311 . . . . 0.0 110.526 178.01 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 89.37 32.05 10.92 Favored Glycine 0 C--N 1.329 0.193 0 C-N-CA 120.637 -0.792 . . . . 0.0 112.176 179.629 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.7 HG11 HG12 ' A' ' 65' ' ' VAL . 14.0 p -89.82 160.9 2.72 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 N-CA-C 110.137 -0.32 . . . . 0.0 110.137 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 42.8 t -55.87 139.47 45.78 Favored 'General case' 0 N--CA 1.451 -0.379 0 N-CA-C 109.895 -0.409 . . . . 0.0 109.895 173.248 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 20.4 m -57.58 -32.74 67.45 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.046 0.387 . . . . 0.0 112.046 -174.881 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -90.55 -33.31 15.95 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.709 -0.396 . . . . 0.0 110.507 -177.409 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.509 ' HA ' ' CE1' ' A' ' 23' ' ' TYR . 55.0 tt0 -69.31 -24.87 63.99 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-O 121.101 0.477 . . . . 0.0 110.65 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.403 ' HB2' HG13 ' A' ' 70' ' ' VAL . . . -57.46 -38.21 74.1 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.561 -0.745 . . . . 0.0 111.528 178.768 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.417 HD23 ' HB3' ' A' ' 118' ' ' TYR . 3.0 tm? -56.27 -48.18 77.09 Favored 'General case' 0 C--N 1.331 -0.203 0 O-C-N 123.24 0.337 . . . . 0.0 110.21 179.238 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.671 ' O ' ' HG ' ' A' ' 81' ' ' LEU . 32.3 mm -61.37 -55.57 23.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.984 -176.273 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' GLN . . . . . 0.61 ' HB2' ' HB1' ' A' ' 26' ' ' ALA . 20.1 tt0 -57.73 -46.6 84.23 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 120.609 0.242 . . . . 0.0 111.093 179.352 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -58.05 -39.11 77.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.55 -179.061 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.617 ' O ' HD23 ' A' ' 84' ' ' LEU . 2.7 mm? -68.95 -47.38 65.82 Favored 'General case' 0 N--CA 1.447 -0.575 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.137 176.214 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.749 HD22 HG11 ' B' ' 115' ' ' VAL . 14.3 mt -63.44 -38.66 91.99 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.638 0.256 . . . . 0.0 111.549 -174.523 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -60.4 -44.93 95.22 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.924 0.392 . . . . 0.0 110.368 172.512 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.518 HD22 HG12 ' A' ' 58' ' ' ILE . 32.9 tp -59.46 -44.43 92.99 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.88 176.601 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.631 HD21 HD21 ' B' ' 84' ' ' LEU . 3.8 mm? -60.85 -13.37 15.07 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.45 -0.795 . . . . 0.0 111.747 -178.349 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.461 ' OG ' HD13 ' B' ' 108' ' ' LEU . 19.5 m -98.38 -28.52 13.61 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.62 -0.264 . . . . 0.0 110.904 -178.922 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.448 ' HB2' HG13 ' A' ' 39' ' ' VAL . . . -70.04 -41.36 74.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.273 0.559 . . . . 0.0 110.503 -177.387 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.465 ' HG ' ' O ' ' A' ' 83' ' ' LEU . 1.1 pp -84.82 -15.6 44.27 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.486 -0.779 . . . . 0.0 112.777 -172.199 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.527 HG11 HD11 ' B' ' 54' ' ' LEU . 15.4 m -91.8 -28.95 4.63 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.294 0 C-N-CA 120.397 -0.521 . . . . 0.0 110.86 177.338 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 60.6 t60 -66.47 -35.99 81.64 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.919 0.39 . . . . 0.0 110.184 179.04 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.409 HG13 ' O ' ' A' ' 86' ' ' ALA . 31.4 m -64.59 -26.39 40.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.247 -176.826 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.591 ' HA ' ' HB3' ' A' ' 94' ' ' ALA . 3.5 mm? -67.02 -21.66 65.92 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.588 -0.278 . . . . 0.0 111.427 -179.292 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 32.8 t -64.25 -29.5 70.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.089 0.471 . . . . 0.0 110.173 178.416 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' SER . . . . . 0.627 ' HB2' HG12 ' B' ' 99' ' ' VAL . 57.3 m -110.52 -15.81 13.81 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.691 -178.153 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.591 ' HB3' ' HA ' ' A' ' 91' ' ' LEU . . . -83.91 101.21 11.51 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.481 -0.782 . . . . 0.0 111.059 178.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 11.8 t -76.51 93.47 3.55 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 176.37 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.688 HD13 ' HB1' ' B' ' 47' ' ' ALA . 19.6 tt -75.01 143.6 13.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.647 -177.623 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -97.11 -106.23 2.38 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.879 -0.677 . . . . 0.0 112.804 -179.526 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -120.03 110.26 16.47 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.773 0.32 . . . . 0.0 110.902 -176.24 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.552 ' CG1' HD11 ' A' ' 96' ' ' ILE . 4.7 m -95.64 140.89 16.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.771 177.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 27.2 m -98.02 152.13 19.6 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.475 -179.391 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 44.3 m -87.23 4.87 40.88 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.007 0.432 . . . . 0.0 110.269 178.639 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 7.1 p -110.95 132.89 58.19 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.596 0 CA-C-O 121.292 0.568 . . . . 0.0 109.647 -179.515 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 109.7 -16.8 30.96 Favored Glycine 0 N--CA 1.446 -0.699 0 CA-C-N 115.506 -0.77 . . . . 0.0 111.755 -179.026 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.449 ' O ' HD23 ' A' ' 108' ' ' LEU . 17.9 t -59.59 -32.67 49.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-O 120.894 0.378 . . . . 0.0 110.027 177.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -50.32 -38.13 40.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.275 -0.875 . . . . 0.0 111.064 178.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 17.9 m -81.39 -27.09 34.96 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.141 -178.343 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 23.3 m -70.32 -32.4 70.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.062 0.458 . . . . 0.0 110.031 -179.626 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.736 HD12 ' HB3' ' B' ' 30' ' ' LEU . 4.6 mm? -58.02 -27.69 63.78 Favored 'General case' 0 C--O 1.221 -0.418 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.493 174.897 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -74.19 -27.82 60.99 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.042 0.449 . . . . 0.0 110.502 -178.536 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 15.9 t -81.23 -37.2 15.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.518 -176.707 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.539 HG12 ' O ' ' A' ' 108' ' ' LEU . 9.5 p -64.48 -32.25 56.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.223 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 112' ' ' GLN . . . . . 0.636 ' HG3' ' O ' ' A' ' 108' ' ' LEU . 22.4 mt-30 -66.4 -24.81 66.54 Favored 'General case' 0 CA--C 1.519 -0.218 0 CA-C-O 121.294 0.569 . . . . 0.0 110.207 179.38 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -85.26 -33.49 22.16 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.312 -0.858 . . . . 0.0 109.936 -177.67 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 114' ' ' SER . . . . . 0.467 ' OG ' ' HD3' ' A' ' 55' ' ' PRO . 15.1 m -77.63 -46.75 21.11 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 114.941 -1.027 . . . . 0.0 111.728 -173.023 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.468 HG12 ' O ' ' A' ' 111' ' ' VAL . 12.0 p -112.24 -19.61 6.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.617 -174.156 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -57.67 -31.47 63.9 Favored Glycine 0 C--O 1.228 -0.248 0 C-N-CA 121.202 -0.523 . . . . 0.0 112.769 -178.306 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -82.68 -3.33 56.19 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 111.965 0.357 . . . . 0.0 111.965 -179.595 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 118' ' ' TYR . . . . . 0.417 ' HB3' HD23 ' A' ' 76' ' ' LEU . 96.2 m-85 -107.96 -26.28 10.78 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.8 0.333 . . . . 0.0 110.338 178.095 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.413 ' O ' ' HB3' ' B' ' 22' ' ' SER . 33.4 m . . . . . 0 C--N 1.331 -0.206 0 CA-C-O 121.181 0.515 . . . . 0.0 110.615 175.017 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 22' ' ' SER . . . . . 0.413 ' HB3' ' O ' ' A' ' 119' ' ' VAL . 40.1 m . . . . . 0 N--CA 1.448 -0.565 0 CA-C-O 120.885 0.374 . . . . 0.0 110.872 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 23' ' ' TYR . . . . . 0.435 ' CE1' ' HA ' ' B' ' 74' ' ' GLU . 0.0 OUTLIER -152.91 135.41 15.15 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.205 -0.452 . . . . 0.0 109.783 -178.841 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 24' ' ' ALA . . . . . 0.481 ' HA ' HG23 ' B' ' 27' ' ' VAL . . . -94.28 -13.15 26.8 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.457 -178.293 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.54 -34.61 89.99 Favored Glycine 0 N--CA 1.453 -0.207 0 C-N-CA 120.622 -0.799 . . . . 0.0 111.658 -177.757 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 26' ' ' ALA . . . . . 0.644 ' HB1' ' HB2' ' B' ' 78' ' ' GLN . . . -65.62 -26.05 67.65 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.232 0.539 . . . . 0.0 110.799 176.627 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 27' ' ' VAL . . . . . 0.49 HG22 HD11 ' B' ' 81' ' ' LEU . 2.3 t -86.63 -40.41 14.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-O 121.605 0.717 . . . . 0.0 110.539 -174.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 69.1 m-20 -69.47 -17.22 63.6 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.759 -172.882 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 29' ' ' ARG . . . . . 0.42 HH21 ' CD ' ' B' ' 34' ' ' GLU . 12.6 ptm180 -95.83 6.86 47.87 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.871 0.367 . . . . 0.0 110.934 -178.749 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 30' ' ' LEU . . . . . 0.736 ' HB3' HD12 ' A' ' 108' ' ' LEU . 98.8 mt -75.78 -25.93 56.88 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.899 0.381 . . . . 0.0 110.872 -179.027 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 13.7 p -73.6 -2.9 24.87 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.225 0.536 . . . . 0.0 110.769 178.879 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 68.3 m -85.01 157.83 20.65 Favored 'General case' 0 N--CA 1.443 -0.824 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.756 178.456 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.56 -24.14 66.44 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.369 -179.674 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 34' ' ' GLU . . . . . 0.42 ' CD ' HH21 ' B' ' 29' ' ' ARG . 28.9 mt-10 -50.4 -57.74 7.29 Favored 'General case' 0 CA--C 1.521 -0.157 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.818 178.94 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 35' ' ' ALA . . . . . 0.635 ' O ' HG23 ' B' ' 39' ' ' VAL . . . -63.8 -61.07 2.53 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.868 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -48.64 -35.18 13.18 Favored 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 112.592 0.59 . . . . 0.0 112.592 -174.503 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 30.1 t -69.94 -27.65 64.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.712 0.291 . . . . 0.0 111.41 -178.021 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 58.4 mtp85 -96.0 -39.97 9.5 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.646 0.736 . . . . 0.0 109.671 -176.702 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 39' ' ' VAL . . . . . 0.635 HG23 ' O ' ' B' ' 35' ' ' ALA . 39.7 t -61.48 -42.4 93.75 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.762 0 CA-C-N 114.594 -1.185 . . . . 0.0 110.676 179.633 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 78.4 p -74.19 -8.27 55.61 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.993 0.425 . . . . 0.0 111.271 179.73 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 30.6 t -90.66 -17.59 26.55 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.09 0.472 . . . . 0.0 110.319 -179.713 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 46.4 m-80 -114.2 -2.83 13.29 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.281 -175.319 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 43' ' ' ILE . . . . . 0.49 HG23 ' O ' ' B' ' 39' ' ' VAL . 4.0 pt -57.87 -41.86 80.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.991 0.424 . . . . 0.0 111.07 178.173 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 44' ' ' ALA . . . . . 0.456 ' N ' HG13 ' B' ' 43' ' ' ILE . . . -77.2 -14.14 59.82 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.034 0.445 . . . . 0.0 111.015 -176.056 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -81.83 -51.27 8.29 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.365 -179.611 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 46' ' ' ILE . . . . . 0.475 HG21 ' HB3' ' B' ' 87' ' ' LEU . 34.9 mt -67.67 -32.74 58.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.213 179.683 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 47' ' ' ALA . . . . . 0.688 ' HB1' HD13 ' A' ' 96' ' ' ILE . . . -65.2 -16.56 63.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.511 178.558 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 47.1 m -106.96 -31.07 8.48 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.632 -177.009 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -97.53 -28.59 8.35 Favored Glycine 0 N--CA 1.453 -0.218 0 C-N-CA 120.545 -0.836 . . . . 0.0 112.957 -179.19 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 76.98 -73.41 1.96 Allowed Glycine 0 N--CA 1.448 -0.551 0 N-CA-C 111.664 -0.574 . . . . 0.0 111.664 -178.545 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -120.58 -28.75 4.87 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 120.869 0.366 . . . . 0.0 110.874 -179.394 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 11.3 p -73.91 -10.05 59.26 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.014 0.435 . . . . 0.0 111.206 -176.032 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -89.56 -15.78 32.13 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.559 179.651 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 54' ' ' LEU . . . . . 0.527 HD11 HG11 ' A' ' 88' ' ' VAL . 38.4 mt -56.38 -59.17 12.82 Favored Pre-proline 0 C--N 1.327 -0.385 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.846 -176.81 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 55' ' ' PRO . . . . . 0.438 ' HD2' ' N ' ' B' ' 54' ' ' LEU . 15.8 Cg_endo -57.72 -25.59 69.04 Favored 'Trans proline' 0 C--N 1.353 0.773 0 C-N-CA 122.272 1.981 . . . . 0.0 112.335 -177.059 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 14.9 m -86.76 -42.65 13.16 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.142 -178.763 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 77.6 t -77.52 -37.6 24.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.978 0.418 . . . . 0.0 110.543 -174.319 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 58' ' ' ILE . . . . . 0.473 HG12 ' HG ' ' B' ' 83' ' ' LEU . 67.4 mt -57.95 -38.16 64.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.806 174.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 23.1 t -69.91 -42.84 72.81 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.269 179.676 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 96.1 m-20 -55.99 -47.76 77.12 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.832 179.524 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 61' ' ' ILE . . . . . 0.429 ' O ' HG23 ' B' ' 65' ' ' VAL . 54.5 mt -75.48 -47.5 34.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 115.521 -0.763 . . . . 0.0 111.583 -177.945 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 62' ' ' TYR . . . . . 0.432 ' O ' HG23 ' B' ' 66' ' ' VAL . 51.1 t80 -52.62 -50.03 63.93 Favored 'General case' 0 N--CA 1.467 0.388 0 O-C-N 123.087 0.242 . . . . 0.0 111.21 -177.635 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 29.8 t -60.77 -30.52 70.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.499 -179.756 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -74.58 -40.21 39.23 Favored Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 120.4 -0.905 . . . . 0.0 111.155 179.038 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 65' ' ' VAL . . . . . 0.705 HG12 HG11 ' B' ' 70' ' ' VAL . 98.0 t -63.19 -47.4 92.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-N 115.171 -0.514 . . . . 0.0 110.912 178.517 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 66' ' ' VAL . . . . . 0.432 HG23 ' O ' ' B' ' 62' ' ' TYR . 68.6 t -62.14 -37.9 79.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.609 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -70.47 -5.87 31.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.869 178.648 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 30.7 t -89.22 -5.37 57.71 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-O 120.894 0.378 . . . . 0.0 110.706 179.162 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 84.6 29.59 29.29 Favored Glycine 0 C--N 1.33 0.242 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.328 178.118 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 70' ' ' VAL . . . . . 0.705 HG11 HG12 ' B' ' 65' ' ' VAL . 14.1 p -78.64 164.98 3.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 115.592 -0.304 . . . . 0.0 110.245 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 71' ' ' SER . . . . . 0.429 ' N ' HG22 ' B' ' 70' ' ' VAL . 45.4 t -61.87 139.05 58.4 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 172.475 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 10.0 m -52.68 -38.55 60.71 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 112.378 0.51 . . . . 0.0 112.378 -174.056 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -89.69 -30.95 17.72 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.791 0.329 . . . . 0.0 110.52 -175.883 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 74' ' ' GLU . . . . . 0.435 ' HA ' ' CE1' ' B' ' 23' ' ' TYR . 45.0 tt0 -70.24 -24.47 63.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.875 0.369 . . . . 0.0 110.61 179.608 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -54.93 -37.99 67.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.811 -0.632 . . . . 0.0 111.485 178.096 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 76' ' ' LEU . . . . . 0.474 HD23 ' HB3' ' B' ' 118' ' ' TYR . 2.8 tm? -57.49 -48.16 79.97 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 177.054 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 77' ' ' ILE . . . . . 0.716 ' O ' ' HG ' ' B' ' 81' ' ' LEU . 37.5 mm -64.1 -55.19 23.4 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-N 115.453 -0.794 . . . . 0.0 111.259 -176.127 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 78' ' ' GLN . . . . . 0.644 ' HB2' ' HB1' ' B' ' 26' ' ' ALA . 28.6 tt0 -56.59 -45.56 81.3 Favored 'General case' 0 N--CA 1.464 0.269 0 C-N-CA 120.871 -0.332 . . . . 0.0 111.134 179.297 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -57.18 -44.04 83.2 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.982 0.42 . . . . 0.0 110.624 178.649 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 80' ' ' LEU . . . . . 0.588 ' O ' HD23 ' B' ' 84' ' ' LEU . 3.5 mm? -68.26 -38.85 82.18 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.476 177.725 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 81' ' ' LEU . . . . . 0.716 ' HG ' ' O ' ' B' ' 77' ' ' ILE . 81.1 mt -60.84 -47.48 86.17 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.904 0.383 . . . . 0.0 110.979 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 57.7 mt-10 -64.96 -37.82 88.91 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.637 177.495 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 83' ' ' LEU . . . . . 0.473 ' HG ' HG12 ' B' ' 58' ' ' ILE . 3.4 tm? -60.48 -46.06 91.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.725 -0.671 . . . . 0.0 109.914 176.07 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 84' ' ' LEU . . . . . 0.631 HD21 HD21 ' A' ' 84' ' ' LEU . 4.0 mm? -68.67 -7.96 38.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.844 -178.759 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 42.1 m -95.43 -34.84 11.95 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 120.86 0.362 . . . . 0.0 110.703 -178.715 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 86' ' ' ALA . . . . . 0.403 ' O ' HG13 ' B' ' 90' ' ' VAL . . . -67.9 -44.46 76.9 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.083 -176.942 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 87' ' ' LEU . . . . . 0.489 HD12 HG13 ' B' ' 88' ' ' VAL . 1.2 pp -79.6 -16.78 55.24 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 113.16 0.8 . . . . 0.0 113.16 -171.932 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 88' ' ' VAL . . . . . 0.516 HG11 HD11 ' A' ' 54' ' ' LEU . 16.9 m -91.64 -26.02 5.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 C-N-CA 120.228 -0.589 . . . . 0.0 110.735 177.253 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 89' ' ' HIS . . . . . 0.406 ' CD2' HG22 ' A' ' 104' ' ' VAL . 69.3 t60 -67.46 -36.25 80.8 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.063 177.545 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 90' ' ' VAL . . . . . 0.462 ' HB ' ' CD1' ' A' ' 96' ' ' ILE . 32.0 m -64.55 -25.9 39.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.517 -175.694 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 91' ' ' LEU . . . . . 0.686 ' HA ' ' HB3' ' B' ' 94' ' ' ALA . 3.1 mm? -68.43 -20.43 64.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.609 -0.269 . . . . 0.0 111.175 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 33.1 t -62.96 -31.41 72.51 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.054 0.454 . . . . 0.0 110.269 178.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 93' ' ' SER . . . . . 0.454 ' HB2' HG12 ' A' ' 99' ' ' VAL . 19.2 m -116.09 13.53 15.82 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.248 0.547 . . . . 0.0 110.305 -179.623 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 94' ' ' ALA . . . . . 0.686 ' HB3' ' HA ' ' B' ' 91' ' ' LEU . . . -109.29 98.83 8.19 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.65 179.232 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 16.8 t -75.24 93.42 2.84 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 177.322 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 96' ' ' ILE . . . . . 0.803 HD13 ' HB1' ' A' ' 47' ' ' ALA . 18.9 tt -71.59 144.85 12.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.711 -177.54 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 97' ' ' GLY . . . . . . . . . . . . . . . -92.03 -106.22 1.55 Allowed Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 120.974 -0.631 . . . . 0.0 112.245 179.517 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 98' ' ' ASN . . . . . . . . . . . . . 31.5 t-20 -126.1 109.82 12.81 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 110.148 -0.316 . . . . 0.0 110.148 -178.261 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 99' ' ' VAL . . . . . 0.627 HG12 ' HB2' ' A' ' 93' ' ' SER . 12.8 m -91.91 165.0 2.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.109 175.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 100' ' ' SER . . . . . . . . . . . . . 44.1 m -139.75 155.47 47.3 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 120.725 0.298 . . . . 0.0 110.664 -179.459 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 26.7 m -84.26 6.42 22.87 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.371 -176.652 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 4.8 p -98.35 113.94 34.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-O 121.562 0.696 . . . . 0.0 110.64 -179.425 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . 114.04 -9.43 23.02 Favored Glycine 0 N--CA 1.448 -0.563 0 CA-C-N 115.266 -0.879 . . . . 0.0 112.557 178.488 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 104' ' ' VAL . . . . . . . . . . . . . 46.5 t -62.2 -34.56 64.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 177.2 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -50.89 -43.54 59.72 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 121.741 0.781 . . . . 0.0 110.227 178.628 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 4.4 m -71.34 -25.93 62.6 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.011 -0.995 . . . . 0.0 111.09 -179.087 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 23.1 m -74.69 -34.05 62.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.899 0.38 . . . . 0.0 110.225 -177.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 108' ' ' LEU . . . . . 0.609 ' O ' HG12 ' B' ' 111' ' ' VAL . 4.3 mm? -58.46 -37.38 75.34 Favored 'General case' 0 C--O 1.226 -0.179 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.514 176.2 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 109' ' ' ASN . . . . . . . . . . . . . 19.0 m-80 -65.8 -25.32 67.19 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.497 -178.272 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 110' ' ' VAL . . . . . . . . . . . . . 24.3 t -86.74 -38.69 12.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.062 -177.112 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 111' ' ' VAL . . . . . 0.609 HG12 ' O ' ' B' ' 108' ' ' LEU . 8.8 p -61.46 -28.95 45.0 Favored 'Isoleucine or valine' 0 C--O 1.235 0.299 0 CA-C-O 121.249 0.547 . . . . 0.0 110.115 -179.516 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 112' ' ' GLN . . . . . 0.581 ' HG3' ' O ' ' B' ' 108' ' ' LEU . 25.3 mt-30 -63.85 -23.83 67.51 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.707 179.187 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 113' ' ' ASP . . . . . 0.433 ' O ' ' HG2' ' B' ' 117' ' ' GLN . 28.6 t70 -80.69 -38.87 28.14 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.578 -178.862 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 11.1 m -76.49 -36.94 57.54 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.302 -0.863 . . . . 0.0 112.223 -170.315 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 115' ' ' VAL . . . . . 0.749 HG11 HD22 ' A' ' 81' ' ' LEU . 12.9 p -112.07 -22.67 4.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-O 120.831 0.348 . . . . 0.0 111.385 -176.492 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 116' ' ' GLY . . . . . . . . . . . . . . . -63.87 -16.71 59.74 Favored Glycine 0 C--O 1.226 -0.392 0 CA-C-N 116.27 -0.423 . . . . 0.0 113.121 -176.841 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 117' ' ' GLN . . . . . 0.433 ' HG2' ' O ' ' B' ' 113' ' ' ASP . 2.6 pt20 -93.19 0.4 57.12 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.926 0.393 . . . . 0.0 111.432 178.626 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 118' ' ' TYR . . . . . 0.474 ' HB3' HD23 ' B' ' 76' ' ' LEU . 98.0 m-85 -113.63 -29.34 7.17 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.373 177.43 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 119' ' ' VAL . . . . . . . . . . . . . 34.6 m -93.09 -3.15 10.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.12 177.362 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.969 0 CA-C-O 118.039 -1.423 . . . . 0.0 110.931 -178.809 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.469 ' HB3' ' O ' ' B' ' 119' ' ' VAL . 29.5 m . . . . . 0 N--CA 1.446 -0.643 0 CA-C-O 120.828 0.346 . . . . 0.0 110.303 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.535 ' CE1' ' HA ' ' A' ' 74' ' ' GLU . 0.1 OUTLIER -149.06 125.52 10.94 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.097 -0.501 . . . . 0.0 109.827 -177.786 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -83.86 -27.8 28.43 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.852 -176.878 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.97 -31.65 77.2 Favored Glycine 0 CA--C 1.508 -0.375 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.276 -179.685 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.503 ' HB1' ' HB2' ' A' ' 78' ' ' GLN . . . -65.88 -17.35 64.59 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.213 0.53 . . . . 0.0 110.355 177.744 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.548 HG22 ' CD1' ' A' ' 81' ' ' LEU . 3.2 t -96.15 -45.1 13.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.314 -179.335 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 26.7 m120 -62.87 -32.19 73.37 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.685 -0.406 . . . . 0.0 110.395 -179.273 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.513 HH21 HG13 ' A' ' 65' ' ' VAL . 6.3 ttp85 -67.47 -7.49 25.97 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.759 -179.061 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.511 HD11 ' HB3' ' A' ' 81' ' ' LEU . 75.0 mt -76.15 -19.88 58.08 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.738 0.304 . . . . 0.0 111.015 -179.004 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 60.7 p -75.85 -10.4 59.4 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.023 0.44 . . . . 0.0 110.774 -178.863 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 34.9 t -78.0 155.91 30.45 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.154 179.318 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.01 -18.0 63.87 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.3 -178.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -58.08 -50.59 72.94 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.579 179.533 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.654 ' O ' HG23 ' A' ' 39' ' ' VAL . . . -62.49 -55.79 24.21 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.413 178.459 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.61 -35.8 32.02 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.678 -177.047 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 24.9 t -73.18 -20.67 60.84 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.088 -0.506 . . . . 0.0 112.113 -178.563 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.474 ' HD2' ' OE1' ' A' ' 82' ' ' GLU . 56.5 mtt180 -99.31 -51.24 3.86 Favored 'General case' 0 CA--C 1.514 -0.407 0 CA-C-O 121.868 0.842 . . . . 0.0 109.5 -178.849 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.654 HG23 ' O ' ' A' ' 35' ' ' ALA . 26.0 t -56.26 -41.26 69.91 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-N 114.081 -1.418 . . . . 0.0 111.191 -176.411 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.45 ' O ' HG12 ' A' ' 43' ' ' ILE . 91.7 p -78.85 -4.79 51.35 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.98 0.419 . . . . 0.0 111.559 -176.867 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 22.6 t -99.19 -5.98 29.02 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.109 0.48 . . . . 0.0 110.096 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ASN . . . . . 0.447 ' HB3' HG13 ' A' ' 57' ' ' VAL . 45.9 m-80 -117.27 -5.52 11.32 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.575 -178.587 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.495 HG13 ' N ' ' A' ' 44' ' ' ALA . 7.7 pt -58.15 -43.61 85.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.605 179.691 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.495 ' N ' HG13 ' A' ' 43' ' ' ILE . . . -75.92 -14.69 60.26 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.106 0.479 . . . . 0.0 110.94 -175.186 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -78.69 -49.55 12.93 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.789 178.764 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 36.6 mt -67.37 -33.98 65.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.132 179.289 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.784 ' HB1' HD13 ' B' ' 96' ' ' ILE . . . -61.46 -26.21 67.74 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.169 179.067 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 24.9 m -98.88 -32.23 11.44 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.696 -175.607 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -99.15 -25.82 9.27 Favored Glycine 0 CA--C 1.519 0.333 0 C-N-CA 120.562 -0.827 . . . . 0.0 113.416 -176.459 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 73.43 -76.13 0.96 Allowed Glycine 0 N--CA 1.45 -0.381 0 N-CA-C 111.726 -0.55 . . . . 0.0 111.726 -178.484 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -118.94 -22.94 7.08 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-O 121.005 0.431 . . . . 0.0 110.313 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 35.8 t -72.2 -14.81 61.89 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.833 -0.622 . . . . 0.0 110.678 -177.601 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -90.39 -17.64 26.9 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.812 -177.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.465 HD11 HG11 ' B' ' 88' ' ' VAL . 55.0 mt -53.86 -56.92 20.46 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.029 -0.532 . . . . 0.0 112.172 -175.704 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.424 ' HD2' ' N ' ' A' ' 54' ' ' LEU . 28.6 Cg_endo -63.66 -13.69 38.25 Favored 'Trans proline' 0 C--N 1.353 0.772 0 C-N-CA 122.103 1.869 . . . . 0.0 112.87 -175.868 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 38.6 m -100.49 -37.99 8.58 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.82 0.343 . . . . 0.0 111.101 179.541 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.447 HG13 ' HB3' ' A' ' 42' ' ' ASN . 79.4 t -75.96 -38.01 35.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 121.038 0.447 . . . . 0.0 109.926 -175.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.489 HG12 HD22 ' A' ' 83' ' ' LEU . 72.1 mt -58.26 -39.39 73.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.775 -0.648 . . . . 0.0 109.766 173.821 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 23.8 t -67.42 -40.7 85.54 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.2 -177.894 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 95.9 m-20 -61.91 -49.6 75.51 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.887 178.925 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 59.9 mt -73.24 -46.55 49.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.805 -176.257 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.52 ' O ' HG23 ' A' ' 66' ' ' VAL . 61.7 t80 -53.65 -55.68 23.87 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 120.69 0.281 . . . . 0.0 111.07 -177.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 23.0 t -62.69 -27.74 69.46 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.568 -178.433 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -69.33 -40.94 80.09 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.948 -0.644 . . . . 0.0 112.092 178.453 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.571 HG12 HG11 ' A' ' 70' ' ' VAL . 36.3 t -74.11 -39.48 50.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.823 0.344 . . . . 0.0 110.625 178.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.52 HG23 ' O ' ' A' ' 62' ' ' TYR . 97.3 t -59.99 -34.42 56.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.672 179.291 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.7 -20.46 56.46 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.957 -0.565 . . . . 0.0 112.154 178.768 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 50.8 m -72.51 -22.22 61.07 Favored 'General case' 0 N--CA 1.445 -0.677 0 CA-C-O 120.773 0.321 . . . . 0.0 111.404 179.755 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 98.93 15.38 33.78 Favored Glycine 0 C--N 1.33 0.214 0 C-N-CA 120.531 -0.843 . . . . 0.0 112.067 -176.486 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.571 HG11 HG12 ' A' ' 65' ' ' VAL . 12.5 p -69.78 160.65 4.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 C-N-CA 122.574 0.35 . . . . 0.0 110.415 179.365 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 35.6 t -59.55 143.53 49.98 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 175.314 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 12.6 t -63.39 -36.9 85.26 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.485 -172.53 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -84.23 -31.41 25.04 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.96 0.409 . . . . 0.0 109.95 -178.449 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.535 ' HA ' ' CE1' ' A' ' 23' ' ' TYR . 37.9 tt0 -68.85 -31.76 70.95 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.318 0.58 . . . . 0.0 109.756 177.809 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.452 ' HB2' HG13 ' A' ' 70' ' ' VAL . . . -59.26 -36.43 75.49 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.286 -0.87 . . . . 0.0 111.489 177.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -57.96 -45.21 87.06 Favored 'General case' 0 N--CA 1.463 0.215 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.687 ' O ' ' HG ' ' A' ' 81' ' ' LEU . 39.1 mm -63.13 -56.04 19.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.857 -178.188 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' GLN . . . . . 0.503 ' HB2' ' HB1' ' A' ' 26' ' ' ALA . 8.9 tt0 -59.41 -44.85 92.78 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.831 -0.348 . . . . 0.0 111.109 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -59.44 -38.62 81.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.01 0.433 . . . . 0.0 110.869 179.729 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.587 ' O ' HD23 ' A' ' 84' ' ' LEU . 5.3 mt -70.75 -40.6 72.62 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.822 177.487 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.701 HD22 HG11 ' B' ' 115' ' ' VAL . 32.0 mt -69.45 -34.06 73.84 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 120.87 0.367 . . . . 0.0 110.932 -178.51 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.474 ' OE1' ' HD2' ' A' ' 38' ' ' ARG . 40.0 mt-10 -69.88 -14.79 62.91 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.794 171.383 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.489 HD22 HG12 ' A' ' 58' ' ' ILE . 43.1 tp -88.39 -43.99 11.09 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-O 121.256 0.551 . . . . 0.0 110.09 173.733 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.64 HD21 HD21 ' B' ' 84' ' ' LEU . 4.1 mm? -64.6 -9.37 18.87 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.309 -0.859 . . . . 0.0 111.915 -177.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 2.7 p -101.62 -18.84 15.7 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 120.783 0.325 . . . . 0.0 110.989 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.444 ' HB2' HG13 ' A' ' 39' ' ' VAL . . . -80.58 -49.71 10.95 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.562 0.696 . . . . 0.0 110.375 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.514 HD12 ' N ' ' A' ' 88' ' ' VAL . 1.1 pp -73.26 -22.25 60.43 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.057 -0.974 . . . . 0.0 112.836 -172.365 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.514 ' N ' HD12 ' A' ' 87' ' ' LEU . 22.5 m -87.15 -23.94 6.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 C-N-CA 120.596 -0.442 . . . . 0.0 110.593 177.551 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 76.9 t60 -69.45 -36.72 76.88 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.235 179.656 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.459 ' HA ' HG11 ' B' ' 99' ' ' VAL . 22.5 m -65.36 -26.82 40.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.484 -175.725 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.592 ' HA ' ' HB3' ' A' ' 94' ' ' ALA . 3.7 mm? -64.38 -25.17 67.91 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.6 -0.273 . . . . 0.0 111.282 -179.876 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 34.7 t -62.53 -28.33 69.78 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.096 0.475 . . . . 0.0 110.917 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' SER . . . . . 0.682 ' HB2' HG12 ' B' ' 99' ' ' VAL . 19.6 m -115.67 0.69 13.32 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.67 0.748 . . . . 0.0 110.702 -178.818 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.592 ' HB3' ' HA ' ' A' ' 91' ' ' LEU . . . -95.47 113.42 25.07 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-N 115.168 -0.924 . . . . 0.0 110.874 178.704 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 8.5 t -84.44 88.42 7.29 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 177.64 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.785 HD13 ' HB1' ' B' ' 47' ' ' ALA . 15.9 tt -70.17 135.18 28.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.268 179.739 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -84.02 -75.53 1.2 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.271 -177.503 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 39.0 t30 -154.49 139.05 16.88 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 176.835 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.489 ' CG1' HD11 ' A' ' 96' ' ' ILE . 4.9 m -123.21 138.86 51.72 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.806 0 CA-C-O 120.986 0.422 . . . . 0.0 110.505 178.943 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 16.8 m -112.63 148.93 33.58 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.238 -176.859 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' SER . . . . . 0.453 ' HB3' ' HB2' ' B' ' 40' ' ' SER . 46.5 m -72.34 -9.05 57.99 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.215 0.531 . . . . 0.0 111.433 -177.483 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 43.8 t -84.96 101.65 9.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.042 -176.176 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 132.19 -12.95 5.24 Favored Glycine 0 N--CA 1.453 -0.196 0 C-N-CA 120.616 -0.802 . . . . 0.0 112.931 176.107 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 48.3 t -57.5 -33.54 44.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.585 0.231 . . . . 0.0 110.644 178.172 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -52.91 -39.95 63.16 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.376 178.338 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 12.6 m -77.62 -39.68 44.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.562 -0.744 . . . . 0.0 111.239 -177.537 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 30.4 m -60.61 -33.97 73.55 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-O 121.35 0.595 . . . . 0.0 110.597 178.93 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.53 HD21 HG21 ' B' ' 39' ' ' VAL . 3.0 mt -60.75 -24.53 65.8 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.422 -0.808 . . . . 0.0 111.772 178.5 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -77.27 -17.75 58.14 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.909 0.385 . . . . 0.0 110.38 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 38.9 t -90.78 -35.92 7.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.864 -176.859 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.462 HG11 ' OG ' ' B' ' 85' ' ' SER . 11.1 p -64.52 -25.29 37.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 121.325 0.583 . . . . 0.0 110.636 -179.421 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 112' ' ' GLN . . . . . 0.529 ' HG2' HG12 ' B' ' 27' ' ' VAL . 23.1 mt-30 -71.76 -18.68 62.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.475 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -84.27 -35.33 23.46 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.896 -175.853 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 10.4 p -78.64 -46.14 19.89 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.405 -0.816 . . . . 0.0 112.053 -172.211 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.555 HG11 HD22 ' B' ' 81' ' ' LEU . 14.8 p -107.39 -19.04 6.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-O 120.808 0.337 . . . . 0.0 111.46 -172.655 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -57.7 -27.46 58.95 Favored Glycine 0 C--O 1.228 -0.226 0 C-N-CA 121.159 -0.543 . . . . 0.0 112.901 -178.514 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -87.28 0.58 55.18 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 111.72 0.267 . . . . 0.0 111.72 -178.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 88.6 m-85 -110.81 -30.36 7.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.014 0.435 . . . . 0.0 109.951 176.92 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 34.0 m . . . . . 0 C--N 1.327 -0.375 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.646 176.03 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 6.9 m . . . . . 0 N--CA 1.444 -0.761 0 CA-C-O 120.725 0.298 . . . . 0.0 110.355 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -148.17 123.22 10.09 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.794 -177.937 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -81.9 -17.23 47.94 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.527 -177.636 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -68.66 -26.74 74.29 Favored Glycine 0 CA--C 1.51 -0.271 0 C-N-CA 120.564 -0.827 . . . . 0.0 111.772 179.688 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 26' ' ' ALA . . . . . 0.407 ' HB1' ' N ' ' B' ' 78' ' ' GLN . . . -76.33 1.67 15.54 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.62 0.724 . . . . 0.0 110.247 176.128 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 27' ' ' VAL . . . . . 0.529 HG12 ' HG2' ' A' ' 112' ' ' GLN . 2.8 t -112.22 -36.23 2.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 115.103 -0.953 . . . . 0.0 109.636 178.298 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 70.7 m-20 -77.24 -14.49 59.75 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.736 -0.666 . . . . 0.0 111.367 -174.11 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 74.5 ttt180 -82.28 -7.31 59.63 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.286 0.565 . . . . 0.0 110.086 178.27 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 30' ' ' LEU . . . . . 0.574 HD11 ' HB3' ' B' ' 81' ' ' LEU . 82.2 mt -72.43 -30.42 64.6 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.187 -177.263 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 9.6 p -80.15 12.27 2.96 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.523 -178.359 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 45.2 t -102.1 160.97 14.05 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.154 178.479 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.42 -18.53 65.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.886 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -55.79 -61.24 2.5 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.437 177.244 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 35' ' ' ALA . . . . . 0.547 ' O ' HG23 ' B' ' 39' ' ' VAL . . . -61.12 -49.55 76.81 Favored 'General case' 0 CA--C 1.516 -0.36 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.604 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -51.58 -35.54 41.71 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.895 -176.742 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 39.8 m -80.02 -16.9 54.15 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 112.11 0.411 . . . . 0.0 112.11 -178.763 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 38' ' ' ARG . . . . . 0.544 ' HD2' ' OE1' ' B' ' 82' ' ' GLU . 73.9 mtt180 -96.49 -49.11 5.28 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 122.041 0.924 . . . . 0.0 109.191 179.767 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 39' ' ' VAL . . . . . 0.547 HG23 ' O ' ' B' ' 35' ' ' ALA . 48.2 t -60.73 -43.96 96.24 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.807 0 CA-C-N 113.902 -1.499 . . . . 0.0 111.202 -176.549 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 40' ' ' SER . . . . . 0.453 ' HB2' ' HB3' ' A' ' 101' ' ' SER . 94.8 p -73.5 -8.8 57.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.973 0.416 . . . . 0.0 111.437 -177.68 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 31.7 t -95.28 -2.26 49.74 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.217 179.659 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 48.8 m-80 -125.81 0.53 7.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.864 0.364 . . . . 0.0 111.22 -179.527 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 43' ' ' ILE . . . . . 0.498 HG13 ' N ' ' B' ' 44' ' ' ALA . 6.3 pt -61.71 -41.44 90.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.193 179.041 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 44' ' ' ALA . . . . . 0.498 ' N ' HG13 ' B' ' 43' ' ' ILE . . . -77.21 -15.97 59.26 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.006 0.431 . . . . 0.0 110.904 -175.099 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -77.24 -50.86 11.97 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.296 0.569 . . . . 0.0 110.027 179.814 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 46' ' ' ILE . . . . . 0.437 HG21 ' HB3' ' B' ' 87' ' ' LEU . 29.8 mt -67.14 -32.08 56.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.188 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 47' ' ' ALA . . . . . 0.785 ' HB1' HD13 ' A' ' 96' ' ' ILE . . . -64.37 -25.63 68.11 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.342 178.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 68.7 m -103.6 -6.65 21.46 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 112.369 0.507 . . . . 0.0 112.369 -176.419 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -124.73 -32.54 0.81 Allowed Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.101 -1.047 . . . . 0.0 113.23 -177.922 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 78.56 -78.37 1.64 Allowed Glycine 0 N--CA 1.444 -0.782 0 N-CA-C 111.122 -0.791 . . . . 0.0 111.122 -177.607 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -117.33 -20.98 8.92 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 120.88 0.371 . . . . 0.0 110.912 -178.514 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 14.6 p -72.3 -16.49 61.9 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.027 -176.575 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -92.55 -15.72 26.62 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.114 -177.63 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 54' ' ' LEU . . . . . 0.453 HD11 HG11 ' A' ' 88' ' ' VAL . 49.1 mt -53.42 -57.78 15.53 Favored Pre-proline 0 CA--C 1.534 0.356 0 N-CA-C 112.375 0.509 . . . . 0.0 112.375 -175.431 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 55' ' ' PRO . . . . . 0.424 ' HD2' ' N ' ' B' ' 54' ' ' LEU . 25.8 Cg_endo -62.93 -19.73 69.66 Favored 'Trans proline' 0 C--N 1.353 0.792 0 C-N-CA 122.221 1.947 . . . . 0.0 112.565 -176.748 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 14.9 m -91.88 -32.88 15.14 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.978 0.418 . . . . 0.0 111.039 -178.547 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 76.0 t -85.68 -37.46 11.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.403 -174.869 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 58' ' ' ILE . . . . . 0.507 HG12 HD22 ' B' ' 83' ' ' LEU . 70.3 mt -57.97 -41.85 81.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.291 176.028 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 18.6 t -67.06 -32.85 74.32 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.176 -177.669 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 88.7 m-20 -62.97 -51.43 66.9 Favored 'General case' 0 CA--C 1.519 -0.222 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.214 177.366 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 61' ' ' ILE . . . . . 0.409 ' O ' HG23 ' B' ' 65' ' ' VAL . 63.3 mt -73.96 -46.78 45.09 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-N 115.256 -0.883 . . . . 0.0 111.735 -176.027 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 62' ' ' TYR . . . . . 0.472 ' O ' HG23 ' B' ' 66' ' ' VAL . 42.1 t80 -55.08 -48.68 73.2 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.582 -0.281 . . . . 0.0 110.952 -177.626 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 33.3 t -61.63 -32.74 72.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.961 0.41 . . . . 0.0 110.471 179.338 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -71.67 -33.3 63.59 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.865 -0.683 . . . . 0.0 111.523 -179.602 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 65' ' ' VAL . . . . . 0.669 HG12 HG11 ' B' ' 70' ' ' VAL . 64.5 t -77.7 -45.82 27.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-O 120.774 0.321 . . . . 0.0 110.998 179.349 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 66' ' ' VAL . . . . . 0.472 HG23 ' O ' ' B' ' 62' ' ' TYR . 98.6 t -61.04 -30.27 47.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 120.912 0.387 . . . . 0.0 110.749 -178.809 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.57 -18.31 51.89 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 116.119 -0.491 . . . . 0.0 112.104 177.362 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 23.7 m -74.55 -19.17 60.44 Favored 'General case' 0 N--CA 1.448 -0.547 0 N-CA-C 112.057 0.391 . . . . 0.0 112.057 179.261 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 90.08 17.16 54.47 Favored Glycine 0 C--N 1.33 0.204 0 C-N-CA 120.586 -0.816 . . . . 0.0 111.473 -175.203 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 70' ' ' VAL . . . . . 0.669 HG11 HG12 ' B' ' 65' ' ' VAL . 13.1 p -70.58 163.31 3.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 115.233 -0.483 . . . . 0.0 110.413 179.249 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 71' ' ' SER . . . . . 0.417 ' N ' HG22 ' B' ' 70' ' ' VAL . 42.6 t -60.21 138.72 57.87 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 173.746 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 24.4 t -57.97 -43.24 86.36 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.021 0.439 . . . . 0.0 110.999 -175.77 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -77.11 -28.45 54.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.468 -177.033 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -74.31 -32.47 62.87 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 176.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 75' ' ' ALA . . . . . 0.506 ' HB2' HG13 ' B' ' 70' ' ' VAL . . . -61.35 -35.96 78.88 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.811 176.581 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 76' ' ' LEU . . . . . 0.482 HD23 ' HB3' ' B' ' 118' ' ' TYR . 2.4 tm? -54.29 -50.72 66.66 Favored 'General case' 0 CA--C 1.519 -0.243 0 O-C-N 123.504 0.503 . . . . 0.0 109.682 176.417 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 77' ' ' ILE . . . . . 0.593 ' O ' ' HG ' ' B' ' 81' ' ' LEU . 36.3 mm -63.9 -53.91 38.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.9 -178.285 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 78' ' ' GLN . . . . . 0.407 ' N ' ' HB1' ' B' ' 26' ' ' ALA . 41.3 tp60 -53.08 -49.4 66.48 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-O 120.906 0.384 . . . . 0.0 110.915 179.23 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.88 -42.24 97.54 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.904 -178.471 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 80' ' ' LEU . . . . . 0.624 ' O ' HD23 ' B' ' 84' ' ' LEU . 2.1 mm? -62.05 -45.74 92.21 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.784 177.198 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 81' ' ' LEU . . . . . 0.593 ' HG ' ' O ' ' B' ' 77' ' ' ILE . 24.6 mt -67.55 -38.23 83.85 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 120.503 0.192 . . . . 0.0 111.387 -176.237 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 82' ' ' GLU . . . . . 0.544 ' OE1' ' HD2' ' B' ' 38' ' ' ARG . 43.3 mt-10 -59.82 -40.61 89.0 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.068 0.461 . . . . 0.0 110.081 172.21 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 83' ' ' LEU . . . . . 0.507 HD22 HG12 ' B' ' 58' ' ' ILE . 39.2 tp -63.15 -46.31 87.81 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 175.684 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 84' ' ' LEU . . . . . 0.64 HD21 HD21 ' A' ' 84' ' ' LEU . 4.0 mm? -62.17 -12.29 19.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.552 -179.029 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 85' ' ' SER . . . . . 0.462 ' OG ' HG11 ' A' ' 111' ' ' VAL . 23.3 m -92.86 -29.03 16.15 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 120.84 0.353 . . . . 0.0 110.661 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 86' ' ' ALA . . . . . 0.454 ' HB2' HG13 ' B' ' 39' ' ' VAL . . . -73.26 -43.78 60.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.479 0.657 . . . . 0.0 110.488 -177.008 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 87' ' ' LEU . . . . . 0.474 HD12 ' N ' ' B' ' 88' ' ' VAL . 1.4 pp -80.86 -18.72 46.4 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.335 -0.848 . . . . 0.0 113.161 -171.342 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 88' ' ' VAL . . . . . 0.474 ' N ' HD12 ' B' ' 87' ' ' LEU . 16.6 m -89.83 -26.88 5.25 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.261 0 C-N-CA 120.151 -0.62 . . . . 0.0 110.561 176.926 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 89' ' ' HIS . . . . . . . . . . . . . 71.4 t60 -65.41 -38.55 90.3 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.013 178.877 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 90' ' ' VAL . . . . . 0.461 ' HA ' HG11 ' A' ' 99' ' ' VAL . 33.2 m -64.61 -26.46 40.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.538 -175.132 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 91' ' ' LEU . . . . . 0.581 ' HA ' ' HB3' ' B' ' 94' ' ' ALA . 3.5 mm? -66.3 -22.04 66.28 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.09 179.519 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 34.7 t -66.19 -20.42 66.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.771 0.319 . . . . 0.0 110.973 -179.104 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 49.9 m -128.19 15.59 6.72 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-O 121.475 0.655 . . . . 0.0 110.565 177.613 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 94' ' ' ALA . . . . . 0.581 ' HB3' ' HA ' ' B' ' 91' ' ' LEU . . . -106.72 102.28 11.67 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.384 177.791 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 13.3 t -77.44 82.82 3.88 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.219 0.533 . . . . 0.0 109.584 179.647 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 96' ' ' ILE . . . . . 0.784 HD13 ' HB1' ' A' ' 47' ' ' ALA . 15.3 tt -64.87 146.31 13.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 115.547 -0.751 . . . . 0.0 111.14 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 97' ' ' GLY . . . . . . . . . . . . . . . -89.34 -102.46 1.06 Allowed Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 120.546 -0.835 . . . . 0.0 111.314 176.814 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 98' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -131.05 135.21 47.36 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 110.121 -0.326 . . . . 0.0 110.121 175.698 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 99' ' ' VAL . . . . . 0.682 HG12 ' HB2' ' A' ' 93' ' ' SER . 8.1 m -114.72 131.34 67.16 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.53 178.398 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 100' ' ' SER . . . . . . . . . . . . . 42.7 m -100.04 156.42 17.18 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.281 -179.676 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 17.7 m -79.38 23.98 0.37 Allowed 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.011 0.434 . . . . 0.0 112.039 -175.313 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 5.3 p -114.93 124.81 71.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-O 121.175 0.512 . . . . 0.0 110.574 -176.463 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . 114.3 -15.67 20.27 Favored Glycine 0 N--CA 1.45 -0.43 0 CA-C-N 115.617 -0.719 . . . . 0.0 112.356 177.933 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 104' ' ' VAL . . . . . . . . . . . . . 38.4 t -60.85 -31.79 50.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 N-CA-C 110.087 -0.338 . . . . 0.0 110.087 178.294 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -51.01 -40.7 58.81 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.122 176.551 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 20.0 m -84.35 -36.08 22.77 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.537 -0.756 . . . . 0.0 111.56 -178.134 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 25.9 m -61.66 -32.53 72.71 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.198 0.523 . . . . 0.0 110.505 178.653 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 108' ' ' LEU . . . . . 0.634 ' O ' HG12 ' B' ' 111' ' ' VAL . 4.1 mt -61.18 -38.15 85.47 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.208 176.419 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 109' ' ' ASN . . . . . . . . . . . . . 20.0 m-80 -64.09 -22.88 67.11 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.987 0.422 . . . . 0.0 111.12 178.667 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 110' ' ' VAL . . . . . . . . . . . . . 40.0 t -84.16 -38.26 13.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.616 -179.313 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 111' ' ' VAL . . . . . 0.634 HG12 ' O ' ' B' ' 108' ' ' LEU . 8.0 p -66.52 -28.32 42.98 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.183 0 CA-C-O 121.321 0.581 . . . . 0.0 110.25 -179.384 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 112' ' ' GLN . . . . . 0.552 ' HG3' ' O ' ' B' ' 108' ' ' LEU . 24.9 mt-30 -70.29 -24.6 63.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.652 179.33 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 113' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -82.87 -29.02 29.66 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.227 -0.897 . . . . 0.0 110.635 -173.274 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 12.1 p -88.46 -41.82 12.52 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.749 -0.659 . . . . 0.0 112.234 -173.678 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 115' ' ' VAL . . . . . 0.701 HG11 HD22 ' A' ' 81' ' ' LEU . 11.1 p -104.9 -19.97 6.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 120.932 0.396 . . . . 0.0 111.151 -173.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 116' ' ' GLY . . . . . . . . . . . . . . . -63.22 -18.72 60.9 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 121.193 -0.527 . . . . 0.0 112.838 -176.884 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -93.83 4.12 54.4 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.709 0.29 . . . . 0.0 111.209 179.793 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 118' ' ' TYR . . . . . 0.482 ' HB3' HD23 ' B' ' 76' ' ' LEU . 82.1 m-85 -116.11 -29.43 6.29 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.919 0.39 . . . . 0.0 110.406 177.774 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 119' ' ' VAL . . . . . 0.469 ' O ' ' HB3' ' A' ' 22' ' ' SER . 35.9 m -88.86 -0.58 8.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.866 176.875 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.51 -1.161 . . . . 0.0 111.409 178.791 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.465 ' HB3' ' O ' ' B' ' 119' ' ' VAL . 21.3 m . . . . . 0 N--CA 1.446 -0.661 0 CA-C-O 120.719 0.295 . . . . 0.0 110.857 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -146.97 127.61 14.22 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 116.089 -0.505 . . . . 0.0 109.786 179.048 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -86.81 -15.3 39.65 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.686 -176.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -66.62 -31.68 79.28 Favored Glycine 0 CA--C 1.509 -0.297 0 C-N-CA 121.008 -0.615 . . . . 0.0 112.37 -178.877 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.598 ' HB1' ' HB2' ' A' ' 78' ' ' GLN . . . -71.76 -11.27 60.74 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.108 0.48 . . . . 0.0 110.583 179.35 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.1 t -98.1 -47.43 12.42 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.46 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.119 -172.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -77.75 2.72 16.1 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 120.212 -0.595 . . . . 0.0 111.655 -175.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 78.9 ttt180 -90.04 -12.92 37.11 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.537 0.684 . . . . 0.0 110.081 175.83 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.663 ' HB3' HD12 ' B' ' 108' ' ' LEU . 69.4 mt -70.95 -24.1 62.36 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.714 -174.594 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 23.2 t -72.73 -8.43 55.34 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.223 0.535 . . . . 0.0 110.274 -178.751 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 46.4 m -82.63 159.95 22.58 Favored 'General case' 0 N--CA 1.443 -0.797 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.05 176.54 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.74 -18.92 61.65 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 111.873 0.323 . . . . 0.0 111.873 -178.175 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -52.35 -59.23 4.66 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.082 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.679 ' O ' HG23 ' A' ' 39' ' ' VAL . . . -60.67 -57.17 13.83 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.592 179.104 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.96 -32.73 21.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 112.025 -175.774 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 22.3 t -73.93 -20.63 60.32 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.513 -178.731 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.546 ' HD2' ' OE1' ' A' ' 82' ' ' GLU . 56.2 mtt180 -100.82 -45.05 5.58 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.646 0.736 . . . . 0.0 109.469 -179.22 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.679 HG23 ' O ' ' A' ' 35' ' ' ALA . 28.1 t -58.95 -45.05 92.24 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 114.481 -1.236 . . . . 0.0 110.965 -177.938 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.47 ' HB2' ' CB ' ' B' ' 101' ' ' SER . 92.6 p -72.82 -13.19 61.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.874 0.369 . . . . 0.0 111.341 -177.675 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 12.3 t -89.72 -6.94 55.57 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.004 0.43 . . . . 0.0 110.255 -178.049 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 39.0 m-80 -122.41 -2.31 9.01 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.539 -176.557 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.501 HG13 ' N ' ' A' ' 44' ' ' ALA . 5.0 pt -60.43 -39.73 81.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.074 178.734 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.501 ' N ' HG13 ' A' ' 43' ' ' ILE . . . -80.05 -8.17 59.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.041 0.448 . . . . 0.0 111.008 -177.482 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -87.13 -50.51 6.57 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.123 179.263 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.423 HG21 ' HB3' ' A' ' 87' ' ' LEU . 39.0 mt -66.23 -34.21 68.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.361 179.582 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.627 ' HB1' HD13 ' B' ' 96' ' ' ILE . . . -62.5 -18.73 62.55 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.976 -0.557 . . . . 0.0 111.595 178.937 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 36.1 t -93.83 -46.97 6.96 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.157 -177.704 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -94.33 -22.79 23.73 Favored Glycine 0 CA--C 1.517 0.204 0 C-N-CA 120.26 -0.971 . . . . 0.0 113.427 -174.302 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 75.2 -75.16 1.37 Allowed Glycine 0 N--CA 1.45 -0.393 0 N-CA-C 111.534 -0.626 . . . . 0.0 111.534 -177.445 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -115.76 -27.51 7.02 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.189 0.519 . . . . 0.0 110.294 179.382 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 6.7 m -69.36 -12.7 61.89 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.665 -179.309 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.417 ' CB ' ' HA ' ' A' ' 46' ' ' ILE . . . -89.27 -15.43 33.54 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.72 -178.443 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.406 ' HB2' ' HD3' ' A' ' 55' ' ' PRO . 65.3 mt -57.95 -56.16 37.58 Favored Pre-proline 0 CA--C 1.539 0.525 0 CA-C-N 116.146 -0.479 . . . . 0.0 112.071 -177.668 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.406 ' HD3' ' HB2' ' A' ' 54' ' ' LEU . 30.6 Cg_endo -67.29 -5.29 13.49 Favored 'Trans proline' 0 C--N 1.355 0.879 0 C-N-CA 122.195 1.93 . . . . 0.0 112.813 -178.373 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 10.9 m -98.92 -47.55 5.22 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.312 0.577 . . . . 0.0 110.015 175.728 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 78.3 t -77.43 -40.91 29.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.925 -172.525 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.49 HG12 ' HG ' ' A' ' 83' ' ' LEU . 54.8 mt -58.13 -43.01 84.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.099 176.851 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 69.6 m -72.13 -25.28 61.66 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.329 -0.85 . . . . 0.0 110.853 -178.252 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 -70.69 -52.86 18.27 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.044 0.45 . . . . 0.0 110.451 175.391 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 63.8 mt -70.41 -43.71 77.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.811 -175.567 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.448 ' O ' HG23 ' A' ' 66' ' ' VAL . 69.0 t80 -54.47 -48.01 72.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.168 -178.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 43.9 t -57.52 -36.79 72.03 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.134 0.492 . . . . 0.0 110.432 178.464 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -70.11 -36.36 71.92 Favored Glycine 0 N--CA 1.45 -0.426 0 CA-C-N 115.551 -0.75 . . . . 0.0 111.919 -177.059 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.659 HG12 HG11 ' A' ' 70' ' ' VAL . 66.0 t -74.46 -44.48 47.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 115.611 -0.294 . . . . 0.0 110.874 -179.872 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.448 HG23 ' O ' ' A' ' 62' ' ' TYR . 91.9 t -61.72 -42.57 94.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.36 -177.848 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -69.63 -3.81 16.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.811 -179.354 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 35.5 t -85.54 -11.91 52.95 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.11 179.783 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 90.54 36.64 6.84 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.284 -0.96 . . . . 0.0 112.143 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.659 HG11 HG12 ' A' ' 65' ' ' VAL . 14.5 p -94.01 161.39 2.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 176.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 45.3 t -61.97 147.84 45.71 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.711 0.291 . . . . 0.0 110.292 176.821 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 6.7 m -53.98 -57.84 9.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.014 -0.539 . . . . 0.0 112.258 -173.311 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -76.67 -26.96 55.37 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.079 0.466 . . . . 0.0 110.258 -174.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -70.86 -28.79 64.84 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.261 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.533 ' HB2' HG13 ' A' ' 70' ' ' VAL . . . -60.1 -39.87 87.66 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.681 -0.69 . . . . 0.0 111.393 177.905 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.449 HD23 ' HB3' ' A' ' 118' ' ' TYR . 2.7 tm? -54.28 -48.35 71.32 Favored 'General case' 0 CA--C 1.519 -0.233 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 177.815 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.716 ' O ' ' HG ' ' A' ' 81' ' ' LEU . 30.6 mm -63.61 -56.03 19.31 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 CA-C-N 115.343 -0.844 . . . . 0.0 111.313 -176.899 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' GLN . . . . . 0.598 ' HB2' ' HB1' ' A' ' 26' ' ' ALA . 52.0 tt0 -55.69 -48.71 74.64 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-O 120.895 0.379 . . . . 0.0 110.918 -178.833 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.46 -37.98 82.72 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.158 -179.282 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.488 ' O ' HD23 ' A' ' 84' ' ' LEU . 2.6 mm? -68.13 -35.05 77.49 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-O 120.697 0.284 . . . . 0.0 111.016 175.906 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.716 ' HG ' ' O ' ' A' ' 77' ' ' ILE . 65.7 mt -69.06 -37.2 78.4 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.058 0.456 . . . . 0.0 110.452 179.139 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.546 ' OE1' ' HD2' ' A' ' 38' ' ' ARG . 55.8 mt-10 -73.69 -17.28 61.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.293 0.568 . . . . 0.0 110.58 175.422 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.49 ' HG ' HG12 ' A' ' 58' ' ' ILE . 3.4 tm? -84.63 -43.09 14.74 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.993 -0.548 . . . . 0.0 109.73 176.338 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.488 HD23 ' O ' ' A' ' 80' ' ' LEU . 3.7 mm? -69.69 -3.63 16.07 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.517 -0.765 . . . . 0.0 112.334 -176.653 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -101.61 -32.08 10.52 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 120.759 0.314 . . . . 0.0 111.189 -179.768 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -66.69 -44.7 81.02 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.265 0.555 . . . . 0.0 110.96 -177.618 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.495 HD12 ' N ' ' A' ' 88' ' ' VAL . 1.0 OUTLIER -78.95 -21.05 47.77 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.605 -0.725 . . . . 0.0 112.76 -173.097 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.569 HG11 HD11 ' B' ' 54' ' ' LEU . 17.2 m -87.87 -25.78 5.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 C-N-CA 120.32 -0.552 . . . . 0.0 110.634 178.367 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 69.1 t60 -69.48 -35.57 75.7 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.486 179.189 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.485 ' HA ' HG11 ' B' ' 99' ' ' VAL . 25.7 m -66.7 -28.92 44.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.484 -175.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.621 ' HA ' ' HB3' ' A' ' 94' ' ' ALA . 3.0 mm? -61.22 -28.52 69.21 Favored 'General case' 0 CA--C 1.52 -0.178 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.987 178.89 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 66.9 m -54.96 -33.27 62.19 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.824 -0.626 . . . . 0.0 111.588 -179.416 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 10.7 t -119.12 10.85 12.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.503 0.668 . . . . 0.0 110.003 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.621 ' HB3' ' HA ' ' A' ' 91' ' ' LEU . . . -98.5 98.39 9.58 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.782 -0.645 . . . . 0.0 109.874 177.928 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 25.9 t -71.56 86.58 0.89 Allowed 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.918 -0.583 . . . . 0.0 109.764 178.35 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.662 HD13 ' HB1' ' B' ' 47' ' ' ALA . 15.7 tt -65.53 140.65 19.29 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.383 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.84 178.297 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -86.43 -88.83 0.99 Allowed Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.4 -179.153 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 9.5 t30 -144.87 117.18 8.46 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.725 0.298 . . . . 0.0 110.488 -179.784 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.459 HG13 HD11 ' A' ' 96' ' ' ILE . 2.8 m -106.58 161.62 5.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.704 178.344 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 36.5 m -148.91 161.9 40.94 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 -179.498 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' SER . . . . . 0.426 ' HB3' ' HB2' ' B' ' 40' ' ' SER . 16.3 m -77.18 41.14 0.29 Allowed 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.019 0.438 . . . . 0.0 111.545 -176.003 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 56.4 t -114.76 112.33 39.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.846 -175.277 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 100.26 0.12 55.87 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.753 -0.737 . . . . 0.0 113.71 175.458 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.446 ' O ' HD23 ' A' ' 108' ' ' LEU . 11.1 t -62.54 -31.23 51.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 117.253 0.527 . . . . 0.0 110.559 -179.188 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -50.05 -44.2 51.43 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-O 121.388 0.613 . . . . 0.0 110.717 177.572 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 20.0 m -74.49 -25.47 59.39 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.637 -0.71 . . . . 0.0 111.507 -178.208 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 20.5 m -70.29 -38.45 75.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.918 0.389 . . . . 0.0 110.208 -179.631 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.701 HD12 ' HB3' ' B' ' 30' ' ' LEU . 4.5 mm? -58.37 -33.52 69.68 Favored 'General case' 0 C--O 1.223 -0.328 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.801 177.618 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 14.5 m-80 -71.35 -23.17 61.86 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.868 -178.756 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 38.9 t -86.56 -36.91 10.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-O 120.756 0.312 . . . . 0.0 110.762 -177.37 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.576 HG12 ' O ' ' A' ' 108' ' ' LEU . 9.4 p -63.42 -28.28 44.7 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.337 0 CA-C-O 121.423 0.63 . . . . 0.0 110.611 -178.669 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 112' ' ' GLN . . . . . 0.554 ' HG3' ' O ' ' A' ' 108' ' ' LEU . 22.7 mt-30 -67.5 -21.02 65.52 Favored 'General case' 0 CA--C 1.518 -0.265 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.947 -179.238 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -79.02 -39.83 32.99 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.583 -177.159 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 5.3 m -77.02 -44.94 28.98 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.131 -0.941 . . . . 0.0 111.934 -170.561 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.673 HG11 HD22 ' B' ' 81' ' ' LEU . 12.8 p -106.48 -18.16 7.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 121.09 0.471 . . . . 0.0 111.376 -172.827 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -63.52 -17.0 59.37 Favored Glycine 0 CA--C 1.517 0.21 0 CA-C-N 116.078 -0.51 . . . . 0.0 113.193 -177.291 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -92.54 1.98 56.95 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.829 0.315 . . . . 0.0 111.239 179.589 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 118' ' ' TYR . . . . . 0.449 ' HB3' HD23 ' A' ' 76' ' ' LEU . 79.6 m-85 -113.79 -36.72 4.75 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.241 0.543 . . . . 0.0 109.685 178.678 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.432 HG21 HG21 ' B' ' 27' ' ' VAL . 33.9 m . . . . . 0 C--N 1.324 -0.524 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.913 178.579 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 6.4 m . . . . . 0 N--CA 1.443 -0.809 0 N-CA-C 110.3 -0.259 . . . . 0.0 110.3 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 23' ' ' TYR . . . . . 0.529 ' CE1' ' HA ' ' B' ' 74' ' ' GLU . 0.1 OUTLIER -148.8 119.32 7.41 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.084 -0.507 . . . . 0.0 109.889 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -79.99 -11.99 59.74 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.823 179.395 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 25' ' ' GLY . . . . . 0.456 ' HA2' ' ND2' ' B' ' 28' ' ' ASN . . . -66.24 -34.25 87.54 Favored Glycine 0 CA--C 1.505 -0.575 0 N-CA-C 111.541 -0.624 . . . . 0.0 111.541 176.793 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 26' ' ' ALA . . . . . 0.449 ' HB1' ' HB2' ' B' ' 78' ' ' GLN . . . -75.43 1.61 13.55 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.037 0.446 . . . . 0.0 110.887 178.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 27' ' ' VAL . . . . . 0.476 ' O ' ' HG ' ' B' ' 30' ' ' LEU . 2.3 t -114.8 -48.93 4.98 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.494 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.9 -177.872 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 28' ' ' ASN . . . . . 0.456 ' ND2' ' HA2' ' B' ' 25' ' ' GLY . 9.1 p30 -75.46 -4.68 41.01 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.303 -0.559 . . . . 0.0 110.966 -175.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 78.9 ttt180 -91.65 -4.31 55.35 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.377 0.608 . . . . 0.0 110.034 175.778 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 30' ' ' LEU . . . . . 0.701 ' HB3' HD12 ' A' ' 108' ' ' LEU . 84.6 mt -70.04 -33.71 72.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.168 -178.414 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 32.8 t -71.1 -6.18 37.3 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.64 -178.265 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 70.8 m -77.2 151.78 35.06 Favored 'General case' 0 N--CA 1.442 -0.841 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.58 176.78 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.31 -23.07 62.14 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.309 -179.265 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -49.71 -56.17 11.17 Favored 'General case' 0 CA--C 1.515 -0.384 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.031 177.871 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 35' ' ' ALA . . . . . 0.548 ' O ' HG23 ' B' ' 39' ' ' VAL . . . -68.37 -56.01 9.98 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.686 -178.611 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -48.38 -40.38 25.51 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 112.419 0.526 . . . . 0.0 112.419 -175.462 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 23.9 t -67.78 -28.53 67.68 Favored 'General case' 0 CA--C 1.538 0.49 0 N-CA-C 111.787 0.291 . . . . 0.0 111.787 -178.48 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 38' ' ' ARG . . . . . 0.408 HH11 ' HD2' ' B' ' 38' ' ' ARG . 44.7 mtm105 -96.05 -39.43 9.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.285 0.564 . . . . 0.0 109.98 -176.641 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 39' ' ' VAL . . . . . 0.548 HG23 ' O ' ' B' ' 35' ' ' ALA . 67.8 t -59.77 -41.93 87.13 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-N 115.103 -0.953 . . . . 0.0 110.53 176.881 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 40' ' ' SER . . . . . 0.464 ' O ' HG12 ' B' ' 43' ' ' ILE . 93.7 p -76.71 -8.32 57.04 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.714 -177.681 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 23.1 t -93.82 -6.28 46.22 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.351 0.596 . . . . 0.0 109.788 178.503 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 39.7 m-80 -118.93 -4.05 10.67 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.869 -177.612 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 43' ' ' ILE . . . . . 0.536 HG13 ' N ' ' B' ' 44' ' ' ALA . 5.8 pt -60.32 -39.64 81.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 121.039 0.447 . . . . 0.0 110.746 176.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 44' ' ' ALA . . . . . 0.536 ' N ' HG13 ' B' ' 43' ' ' ILE . . . -82.05 -3.83 55.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.69 -176.367 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -92.16 -53.1 4.38 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.221 178.747 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 46' ' ' ILE . . . . . 0.415 ' HA ' ' CB ' ' B' ' 53' ' ' ALA . 44.5 mt -63.35 -37.13 78.71 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.392 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 47' ' ' ALA . . . . . 0.662 ' HB1' HD13 ' A' ' 96' ' ' ILE . . . -61.02 -25.45 66.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.142 0.496 . . . . 0.0 111.642 -179.296 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 27.3 t -97.69 -7.35 31.06 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.471 -175.472 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -121.11 -32.65 1.04 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.372 -0.918 . . . . 0.0 112.899 -177.539 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 81.95 -71.29 2.98 Favored Glycine 0 N--CA 1.446 -0.687 0 N-CA-C 111.658 -0.577 . . . . 0.0 111.658 -178.221 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -126.74 -28.28 2.99 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.662 0.267 . . . . 0.0 111.199 -179.145 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 34.4 p -74.01 -7.77 53.68 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.168 0.508 . . . . 0.0 110.954 -177.616 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 53' ' ' ALA . . . . . 0.415 ' CB ' ' HA ' ' B' ' 46' ' ' ILE . . . -88.82 -17.65 29.31 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.632 178.868 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 54' ' ' LEU . . . . . 0.569 HD11 HG11 ' A' ' 88' ' ' VAL . 28.6 mt -56.11 -57.05 24.66 Favored Pre-proline 0 CA--C 1.534 0.346 0 CA-C-N 116.301 -0.409 . . . . 0.0 112.04 -178.008 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 55' ' ' PRO . . . . . 0.459 ' HD2' ' N ' ' B' ' 54' ' ' LEU . 20.9 Cg_endo -61.77 -16.11 46.75 Favored 'Trans proline' 0 C--N 1.35 0.645 0 C-N-CA 122.274 1.982 . . . . 0.0 112.493 -176.869 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 6.3 m -94.05 -45.23 7.67 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.498 179.23 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 68.1 t -76.89 -40.49 31.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.582 -173.774 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 58' ' ' ILE . . . . . 0.529 HG12 ' HG ' ' B' ' 83' ' ' LEU . 73.3 mt -59.1 -35.24 56.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.444 175.178 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 17.6 t -69.64 -44.02 71.44 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-N 115.501 -0.772 . . . . 0.0 109.972 -179.371 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 89.3 m-20 -58.39 -49.46 77.16 Favored 'General case' 0 CA--C 1.52 -0.21 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.672 179.635 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 61' ' ' ILE . . . . . 0.486 ' O ' HG23 ' B' ' 65' ' ' VAL . 63.5 mt -70.62 -48.1 60.57 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-N 115.347 -0.842 . . . . 0.0 111.606 -177.049 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 62' ' ' TYR . . . . . 0.434 ' O ' HG23 ' B' ' 66' ' ' VAL . 58.0 t80 -53.81 -51.53 63.21 Favored 'General case' 0 N--CA 1.465 0.314 0 O-C-N 123.151 0.282 . . . . 0.0 111.356 -178.387 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 10.0 t -60.34 -33.18 72.04 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.232 0.539 . . . . 0.0 110.148 -178.899 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -71.9 -32.12 63.96 Favored Glycine 0 N--CA 1.451 -0.33 0 CA-C-N 115.75 -0.659 . . . . 0.0 112.069 -179.255 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 65' ' ' VAL . . . . . 0.702 HG12 HG11 ' B' ' 70' ' ' VAL . 60.6 t -78.03 -43.3 28.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-O 120.889 0.376 . . . . 0.0 110.598 179.566 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 66' ' ' VAL . . . . . 0.434 HG23 ' O ' ' B' ' 62' ' ' TYR . 92.2 t -61.58 -40.29 86.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.122 -178.449 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -66.55 -13.92 61.63 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-O 120.905 0.383 . . . . 0.0 111.828 179.515 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 34.8 t -76.72 -18.15 58.67 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.121 -178.893 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 94.69 39.33 4.7 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.332 -0.937 . . . . 0.0 111.953 -177.541 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 70' ' ' VAL . . . . . 0.702 HG11 HG12 ' B' ' 65' ' ' VAL . 14.1 p -93.54 162.46 2.4 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 176.636 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 34.7 t -64.33 141.92 58.6 Favored 'General case' 0 N--CA 1.451 -0.393 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 174.747 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 8.7 m -52.65 -45.55 66.77 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 112.562 0.579 . . . . 0.0 112.562 -173.068 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -85.09 -23.8 28.35 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.725 -0.39 . . . . 0.0 110.7 -176.451 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 74' ' ' GLU . . . . . 0.529 ' HA ' ' CE1' ' B' ' 23' ' ' TYR . 39.9 tt0 -71.92 -29.89 64.78 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-O 121.181 0.515 . . . . 0.0 109.772 178.261 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 75' ' ' ALA . . . . . 0.419 ' HB2' HG13 ' B' ' 70' ' ' VAL . . . -57.51 -38.06 74.02 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-N 115.348 -0.842 . . . . 0.0 111.397 177.331 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 76' ' ' LEU . . . . . 0.511 HD23 ' HB3' ' B' ' 118' ' ' TYR . 2.6 tm? -55.88 -51.4 67.71 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.045 0.45 . . . . 0.0 109.827 179.617 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 77' ' ' ILE . . . . . 0.643 ' O ' ' HG ' ' B' ' 81' ' ' LEU . 35.5 mm -62.19 -52.7 57.14 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 115.562 -0.745 . . . . 0.0 111.099 -176.197 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 78' ' ' GLN . . . . . 0.449 ' HB2' ' HB1' ' B' ' 26' ' ' ALA . 29.9 tt0 -57.95 -47.99 81.26 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 121.017 -0.273 . . . . 0.0 110.648 179.68 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -59.19 -41.46 88.55 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.914 0.388 . . . . 0.0 110.903 -178.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 80' ' ' LEU . . . . . 0.694 ' O ' ' HG ' ' B' ' 84' ' ' LEU . 3.6 mm? -67.18 -43.52 81.97 Favored 'General case' 0 C--O 1.22 -0.451 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.249 178.273 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 81' ' ' LEU . . . . . 0.673 HD22 HG11 ' A' ' 115' ' ' VAL . 13.3 mt -66.23 -41.74 89.64 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.926 0.393 . . . . 0.0 111.261 -176.717 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 91.6 mt-10 -63.43 -37.0 85.59 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.403 0.621 . . . . 0.0 109.882 174.427 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 83' ' ' LEU . . . . . 0.529 ' HG ' HG12 ' B' ' 58' ' ' ILE . 3.4 tm? -62.31 -44.46 96.47 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.121 175.888 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 84' ' ' LEU . . . . . 0.694 ' HG ' ' O ' ' B' ' 80' ' ' LEU . 14.0 mt -63.1 -17.92 62.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.852 -178.087 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 27.8 m -89.38 -30.39 18.41 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 120.788 0.327 . . . . 0.0 110.75 -175.47 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -68.59 -42.91 77.55 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.311 0.576 . . . . 0.0 110.558 -177.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 87' ' ' LEU . . . . . 0.566 HD12 ' N ' ' B' ' 88' ' ' VAL . 1.8 pp -81.2 -25.46 36.73 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 112.885 0.698 . . . . 0.0 112.885 -172.126 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 88' ' ' VAL . . . . . 0.566 ' N ' HD12 ' B' ' 87' ' ' LEU . 17.8 m -83.7 -22.16 8.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 C-N-CA 120.243 -0.583 . . . . 0.0 110.509 176.672 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 89' ' ' HIS . . . . . . . . . . . . . 72.1 t60 -68.71 -39.72 80.31 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.202 178.299 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 90' ' ' VAL . . . . . 0.562 HG22 ' O ' ' B' ' 87' ' ' LEU . 17.7 m -62.51 -26.57 40.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.533 -175.872 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 91' ' ' LEU . . . . . 0.64 ' HA ' ' HB3' ' B' ' 94' ' ' ALA . 3.0 mm? -63.11 -23.38 67.42 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.239 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 27.9 t -58.19 -31.24 67.11 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.884 178.819 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 63.9 m -125.53 20.6 7.92 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-O 121.159 0.504 . . . . 0.0 110.698 179.027 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 94' ' ' ALA . . . . . 0.64 ' HB3' ' HA ' ' B' ' 91' ' ' LEU . . . -110.62 99.38 8.35 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.407 177.546 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 8.6 t -76.57 85.43 3.25 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.202 -0.454 . . . . 0.0 109.92 179.549 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 96' ' ' ILE . . . . . 0.627 HD13 ' HB1' ' A' ' 47' ' ' ALA . 15.2 tt -65.48 137.67 24.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.876 179.268 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 97' ' ' GLY . . . . . . . . . . . . . . . -84.34 -88.01 0.85 Allowed Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.535 -0.841 . . . . 0.0 112.463 -177.81 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 98' ' ' ASN . . . . . . . . . . . . . 9.3 t30 -151.35 113.69 4.58 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.79 0.329 . . . . 0.0 110.648 -178.316 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 99' ' ' VAL . . . . . 0.485 HG11 ' HA ' ' A' ' 90' ' ' VAL . 7.2 m -102.69 140.43 21.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.556 -177.338 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 100' ' ' SER . . . . . . . . . . . . . 25.0 m -110.1 161.16 15.82 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.259 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 101' ' ' SER . . . . . 0.47 ' CB ' ' HB2' ' A' ' 40' ' ' SER . 3.4 p -82.59 6.56 17.26 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.128 0.489 . . . . 0.0 111.68 -177.606 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 54.8 t -92.11 113.9 28.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.696 -179.082 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . 114.82 -6.68 22.13 Favored Glycine 0 N--CA 1.448 -0.519 0 CA-C-N 115.662 -0.699 . . . . 0.0 112.661 174.642 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 104' ' ' VAL . . . . . . . . . . . . . 23.5 t -64.25 -32.87 59.23 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.152 0 N-CA-C 110.068 -0.345 . . . . 0.0 110.068 178.83 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -49.14 -41.68 36.97 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.945 179.316 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 14.9 m -75.33 -27.84 59.39 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.463 -178.44 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 24.7 m -73.46 -29.43 62.53 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.993 0.425 . . . . 0.0 110.22 -175.693 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 108' ' ' LEU . . . . . 0.663 HD12 ' HB3' ' A' ' 30' ' ' LEU . 4.1 mm? -59.98 -39.81 87.0 Favored 'General case' 0 C--O 1.223 -0.32 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.522 175.421 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 109' ' ' ASN . . . . . . . . . . . . . 7.2 m120 -65.1 -25.32 67.73 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.376 -178.898 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 110' ' ' VAL . . . . . . . . . . . . . 25.9 t -84.83 -36.05 10.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.912 0.387 . . . . 0.0 110.978 -178.191 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 111' ' ' VAL . . . . . 0.653 HG12 ' O ' ' B' ' 108' ' ' LEU . 10.0 p -65.12 -30.37 50.11 Favored 'Isoleucine or valine' 0 C--O 1.234 0.269 0 CA-C-O 121.255 0.55 . . . . 0.0 109.902 178.797 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 112' ' ' GLN . . . . . 0.615 ' HG3' ' O ' ' B' ' 108' ' ' LEU . 24.3 mt-30 -65.24 -28.51 69.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.428 -0.806 . . . . 0.0 110.534 178.653 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 113' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -82.66 -29.9 29.67 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.554 -176.152 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 114' ' ' SER . . . . . 0.439 ' OG ' ' HD3' ' B' ' 55' ' ' PRO . 13.3 m -78.73 -47.64 16.46 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.146 -0.933 . . . . 0.0 111.54 -173.948 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 115' ' ' VAL . . . . . 0.431 HG12 ' O ' ' B' ' 111' ' ' VAL . 11.7 p -109.3 -17.2 8.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 121.082 0.468 . . . . 0.0 111.309 -173.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 116' ' ' GLY . . . . . . . . . . . . . . . -59.38 -25.61 60.71 Favored Glycine 0 C--O 1.229 -0.186 0 CA-C-N 116.034 -0.53 . . . . 0.0 112.905 -178.732 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -88.7 5.8 41.55 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.556 0.217 . . . . 0.0 111.517 -179.018 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 118' ' ' TYR . . . . . 0.511 ' HB3' HD23 ' B' ' 76' ' ' LEU . 65.2 m-85 -117.62 -27.08 6.39 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.12 0.486 . . . . 0.0 109.827 177.201 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 119' ' ' VAL . . . . . 0.465 ' O ' ' HB3' ' A' ' 22' ' ' SER . 31.0 m -87.8 0.15 7.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.067 173.127 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.23 0 CA-C-O 118.199 -1.334 . . . . 0.0 110.879 175.711 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 34.8 m . . . . . 0 N--CA 1.446 -0.671 0 N-CA-C 110.083 -0.34 . . . . 0.0 110.083 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.674 ' CE1' ' HA ' ' A' ' 74' ' ' GLU . 0.0 OUTLIER -156.73 120.71 4.33 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.032 -177.434 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.85 -22.62 49.62 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.368 -179.741 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.0 -32.71 83.14 Favored Glycine 0 N--CA 1.453 -0.225 0 C-N-CA 120.959 -0.639 . . . . 0.0 111.916 -178.616 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.496 ' HB1' ' HB2' ' A' ' 78' ' ' GLN . . . -69.19 -15.56 63.42 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.11 0.481 . . . . 0.0 110.418 179.381 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.426 HG12 ' HG2' ' B' ' 112' ' ' GLN . 2.9 t -93.94 -42.83 13.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.431 -178.208 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 29.0 m120 -64.39 -34.5 78.32 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 121.045 0.45 . . . . 0.0 110.881 -177.044 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 71.1 ttt180 -63.33 -19.15 64.37 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.416 -178.097 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.759 ' HB3' HD12 ' B' ' 108' ' ' LEU . 89.5 mt -61.92 -30.32 70.82 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.965 -176.688 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 28.3 p -78.96 5.42 11.67 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.01 0.433 . . . . 0.0 111.528 -176.1 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 50.2 m -95.04 160.48 14.55 Favored 'General case' 0 N--CA 1.441 -0.904 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 174.559 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.65 -17.0 53.62 Favored 'General case' 0 N--CA 1.466 0.363 0 N-CA-C 112.586 0.587 . . . . 0.0 112.586 -175.259 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -56.74 -61.09 2.67 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.592 -0.276 . . . . 0.0 111.132 -179.354 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.683 ' O ' HG23 ' A' ' 39' ' ' VAL . . . -56.6 -59.98 4.21 Favored 'General case' 0 CA--C 1.515 -0.389 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.772 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -47.07 -34.91 6.33 Favored 'General case' 0 C--N 1.33 -0.243 0 O-C-N 123.543 0.527 . . . . 0.0 112.252 -175.91 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 9.6 t -67.8 -32.75 73.52 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.484 -178.379 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 84.6 mtt-85 -95.08 -36.42 11.52 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.382 0.611 . . . . 0.0 109.817 -177.006 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.683 HG23 ' O ' ' A' ' 35' ' ' ALA . 41.5 t -61.14 -46.08 97.32 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-N 115.227 -0.897 . . . . 0.0 110.664 178.844 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 80.8 p -74.67 -6.17 47.26 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.541 -178.481 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 38.0 t -92.41 -11.23 35.41 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.589 179.322 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 42.9 m-80 -118.67 0.36 11.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.967 0.413 . . . . 0.0 111.064 -176.533 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.453 HG13 ' N ' ' A' ' 44' ' ' ALA . 4.6 pt -61.35 -40.32 85.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.022 177.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.453 ' N ' HG13 ' A' ' 43' ' ' ILE . . . -81.1 -3.96 53.73 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.086 0.47 . . . . 0.0 111.032 -178.139 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -86.72 -52.5 5.48 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.28 0.562 . . . . 0.0 109.673 176.635 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 50.4 mt -65.04 -36.03 76.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.632 179.806 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.653 ' HB1' HD13 ' B' ' 96' ' ' ILE . . . -64.87 -14.05 58.33 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.729 -178.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 29.8 t -103.66 -28.04 11.93 Favored 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 121.027 -0.269 . . . . 0.0 111.469 -178.191 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -109.49 -21.77 7.07 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.33 -0.938 . . . . 0.0 113.359 -175.619 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 74.86 -80.45 0.93 Allowed Glycine 0 N--CA 1.447 -0.588 0 N-CA-C 111.204 -0.758 . . . . 0.0 111.204 -178.854 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -114.08 -23.21 9.64 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-O 121.203 0.525 . . . . 0.0 110.177 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 8.9 t -78.84 3.04 17.97 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.502 -176.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.42 ' O ' HG23 ' A' ' 57' ' ' VAL . . . -101.63 -20.15 15.15 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.184 177.359 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.432 ' N ' ' HD2' ' A' ' 55' ' ' PRO . 54.9 mt -52.54 -57.97 13.62 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 115.679 -0.692 . . . . 0.0 111.978 -175.713 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.432 ' HD2' ' N ' ' A' ' 54' ' ' LEU . 18.1 Cg_endo -61.37 -23.73 77.36 Favored 'Trans proline' 0 C--N 1.353 0.784 0 C-N-CA 122.075 1.85 . . . . 0.0 112.419 -176.558 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 20.8 m -87.41 -38.15 16.4 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.901 -178.446 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.42 HG23 ' O ' ' A' ' 53' ' ' ALA . 78.4 t -77.99 -40.48 26.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.034 -175.743 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.5 HG12 HD22 ' A' ' 83' ' ' LEU . 69.8 mt -56.68 -42.73 77.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.114 174.41 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 32.9 t -67.89 -37.73 82.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.427 -178.345 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 86.8 m-20 -58.12 -55.79 30.39 Favored 'General case' 0 CA--C 1.516 -0.346 0 CA-C-O 121.347 0.594 . . . . 0.0 110.237 177.609 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.502 ' O ' HG23 ' A' ' 65' ' ' VAL . 57.7 mt -69.44 -47.24 73.65 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-N 115.178 -0.919 . . . . 0.0 111.554 -176.197 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.474 ' O ' HG23 ' A' ' 66' ' ' VAL . 53.7 t80 -51.83 -59.56 4.17 Favored 'General case' 0 N--CA 1.466 0.354 0 O-C-N 123.061 0.225 . . . . 0.0 111.393 -177.402 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 17.9 t -62.34 -26.77 68.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.093 0.473 . . . . 0.0 110.739 -177.026 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -71.25 -45.43 48.71 Favored Glycine 0 N--CA 1.447 -0.594 0 C-N-CA 120.868 -0.682 . . . . 0.0 111.543 177.185 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.654 HG12 HG11 ' A' ' 70' ' ' VAL . 58.7 t -68.72 -41.14 82.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.686 -0.257 . . . . 0.0 111.09 -179.736 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.474 HG23 ' O ' ' A' ' 62' ' ' TYR . 84.3 t -59.07 -43.81 90.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.979 0.419 . . . . 0.0 110.339 178.784 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -75.24 -0.27 18.94 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.302 179.364 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.444 ' HB3' ' O ' ' A' ' 65' ' ' VAL . 48.2 t -90.43 -11.57 40.04 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.76 178.263 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 104.81 21.33 9.17 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.104 -1.046 . . . . 0.0 113.342 177.633 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.654 HG11 HG12 ' A' ' 65' ' ' VAL . 7.3 p -86.95 163.94 2.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 177.218 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 9.0 t -70.79 153.92 42.32 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 174.521 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 8.4 p -57.37 -62.44 1.77 Allowed 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 112.678 0.621 . . . . 0.0 112.678 -171.386 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -71.76 -28.44 63.65 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.048 0.451 . . . . 0.0 110.369 -176.734 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.674 ' HA ' ' CE1' ' A' ' 23' ' ' TYR . 39.1 tt0 -64.53 -28.83 69.91 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.257 179.506 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.438 ' HB2' ' CG1' ' A' ' 70' ' ' VAL . . . -63.02 -32.45 73.82 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.339 -0.846 . . . . 0.0 111.423 177.878 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -58.29 -48.66 79.78 Favored 'General case' 0 CA--C 1.518 -0.276 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 179.157 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.725 ' O ' ' HG ' ' A' ' 81' ' ' LEU . 30.8 mm -62.77 -55.71 22.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.92 -178.897 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' GLN . . . . . 0.496 ' HB2' ' HB1' ' A' ' 26' ' ' ALA . 9.2 tt0 -56.96 -48.07 79.22 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 121.072 -0.251 . . . . 0.0 111.465 179.314 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.16 -38.01 81.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.704 0.288 . . . . 0.0 111.04 -178.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.727 ' O ' ' HG ' ' A' ' 84' ' ' LEU . 10.0 mt -69.11 -44.26 72.79 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.894 176.584 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.725 ' HG ' ' O ' ' A' ' 77' ' ' ILE . 61.2 mt -61.4 -37.83 84.86 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.84 0.353 . . . . 0.0 110.849 179.712 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -68.69 -25.7 64.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.937 175.207 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.5 HD22 HG12 ' A' ' 58' ' ' ILE . 26.3 tp -77.64 -40.86 40.4 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.038 0.447 . . . . 0.0 110.256 175.746 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.727 ' HG ' ' O ' ' A' ' 80' ' ' LEU . 15.7 mt -63.44 -16.23 59.99 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.383 -0.826 . . . . 0.0 111.366 -176.177 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.4 p -96.83 -23.59 16.3 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.706 0.289 . . . . 0.0 111.372 -176.701 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -74.75 -45.42 44.05 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.423 0.63 . . . . 0.0 110.371 -179.607 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.509 HD12 ' N ' ' A' ' 88' ' ' VAL . 1.3 pp -77.47 -22.13 51.82 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.384 -0.826 . . . . 0.0 112.66 -172.673 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.509 ' N ' HD12 ' A' ' 87' ' ' LEU . 14.4 m -85.69 -22.78 7.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 C-N-CA 120.26 -0.576 . . . . 0.0 110.817 177.873 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 72.6 t60 -71.34 -37.69 71.69 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.178 178.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.453 HG22 ' O ' ' A' ' 87' ' ' LEU . 22.5 m -65.17 -26.71 40.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.484 -174.885 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.591 ' HA ' ' HB3' ' A' ' 94' ' ' ALA . 3.9 mm? -65.99 -21.07 66.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.566 -0.288 . . . . 0.0 111.409 179.026 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 32.4 t -66.55 -26.69 67.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.947 0.403 . . . . 0.0 110.572 179.2 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' SER . . . . . 0.623 ' HB2' HG12 ' B' ' 99' ' ' VAL . 61.1 m -108.89 -17.61 13.88 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.677 0.751 . . . . 0.0 110.131 -179.224 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.591 ' HB3' ' HA ' ' A' ' 91' ' ' LEU . . . -83.91 100.24 10.88 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.09 -0.959 . . . . 0.0 111.182 179.828 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 9.2 t -80.52 91.4 5.77 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 177.506 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.674 HD11 HG13 ' A' ' 99' ' ' VAL . 9.2 tt -64.68 147.55 12.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.419 -0.81 . . . . 0.0 112.248 -178.246 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -89.75 -89.72 1.25 Allowed Glycine 0 N--CA 1.45 -0.41 0 CA-C-N 115.895 -0.593 . . . . 0.0 112.29 176.055 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 8.5 t30 -147.61 108.51 4.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.955 0.377 . . . . 0.0 111.125 -178.336 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.674 HG13 HD11 ' A' ' 96' ' ' ILE . 3.2 m -91.61 147.34 5.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.286 179.551 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 57.7 m -117.45 158.33 24.69 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.447 -179.739 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 4.2 p -76.4 -10.95 59.78 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.231 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 23.8 t -81.74 109.21 15.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.956 -176.488 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 123.15 -15.78 8.2 Favored Glycine 0 N--CA 1.448 -0.524 0 CA-C-N 115.606 -0.724 . . . . 0.0 112.819 174.88 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 37.0 t -58.27 -33.31 46.95 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.194 0 CA-C-O 120.876 0.37 . . . . 0.0 110.112 179.271 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -49.0 -45.24 42.08 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.313 -0.858 . . . . 0.0 111.156 179.573 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 35.4 t -73.88 -26.06 60.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.784 -179.349 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 14.1 m -71.42 -30.25 65.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.271 0.557 . . . . 0.0 109.544 -178.091 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.558 HD12 ' HB3' ' B' ' 30' ' ' LEU . 4.1 mm? -62.79 -32.06 73.16 Favored 'General case' 0 C--O 1.223 -0.308 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.832 175.542 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -71.12 -29.84 65.76 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.945 0.403 . . . . 0.0 110.28 -178.07 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 23.2 t -80.92 -39.08 17.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.965 -176.364 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.556 HG12 ' O ' ' A' ' 108' ' ' LEU . 9.8 p -60.81 -29.49 45.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 121.175 0.512 . . . . 0.0 110.639 -178.3 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 112' ' ' GLN . . . . . 0.515 ' HG3' ' O ' ' A' ' 108' ' ' LEU . 26.0 mt-30 -65.38 -35.55 81.31 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.622 -179.463 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -66.07 -36.34 82.94 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.164 -0.926 . . . . 0.0 110.812 -175.57 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 4.0 m -78.39 -34.54 48.06 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.225 -0.898 . . . . 0.0 112.515 -170.625 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.675 HG11 HD22 ' B' ' 81' ' ' LEU . 14.9 p -113.35 -23.88 4.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 N-CA-C 112.344 0.498 . . . . 0.0 112.344 -170.037 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -56.15 -30.41 57.72 Favored Glycine 0 C--N 1.332 0.361 0 C-N-CA 121.386 -0.435 . . . . 0.0 113.407 -175.419 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -79.33 -5.28 54.17 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 111.971 0.36 . . . . 0.0 111.971 -176.577 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 80.5 m-85 -108.78 -33.52 6.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.772 0.32 . . . . 0.0 110.848 178.697 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.4 ' O ' ' HB3' ' B' ' 22' ' ' SER . 29.6 m . . . . . 0 C--N 1.327 -0.41 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.374 -179.44 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 22' ' ' SER . . . . . 0.4 ' HB3' ' O ' ' A' ' 119' ' ' VAL . 15.1 m . . . . . 0 N--CA 1.452 -0.369 0 CA-C-O 120.927 0.394 . . . . 0.0 111.639 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -151.71 130.0 12.02 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.859 -0.61 . . . . 0.0 109.819 179.459 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -84.51 -22.89 30.03 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.829 0.347 . . . . 0.0 110.966 176.78 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.56 -28.12 73.28 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.831 -0.699 . . . . 0.0 112.492 -178.403 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 26' ' ' ALA . . . . . 0.496 ' HB1' ' HB2' ' B' ' 78' ' ' GLN . . . -68.43 -16.78 64.03 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.48 0.657 . . . . 0.0 110.255 177.318 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 27' ' ' VAL . . . . . 0.485 HG22 ' CD1' ' B' ' 81' ' ' LEU . 2.9 t -94.78 -37.35 7.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.045 179.462 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 66.0 m-20 -76.88 -10.46 59.39 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.584 -0.735 . . . . 0.0 111.257 -174.696 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 79.8 ttt180 -90.47 -3.3 57.75 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.406 0.622 . . . . 0.0 110.193 178.63 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 30' ' ' LEU . . . . . 0.558 ' HB3' HD12 ' A' ' 108' ' ' LEU . 90.6 mt -74.59 -29.34 61.28 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.899 -176.226 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 5.1 p -71.73 -8.96 57.35 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.049 0.452 . . . . 0.0 111.32 -179.083 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 71.1 m -74.39 154.99 38.57 Favored 'General case' 0 N--CA 1.442 -0.851 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.776 176.911 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.4 -20.44 63.06 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.924 178.545 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -49.93 -60.82 2.56 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.734 177.239 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 35' ' ' ALA . . . . . 0.643 ' O ' HG23 ' B' ' 39' ' ' VAL . . . -63.49 -54.28 38.82 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.947 -179.086 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -48.83 -33.47 10.59 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 112.466 0.543 . . . . 0.0 112.466 -176.326 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 33.9 m -76.32 -23.71 54.28 Favored 'General case' 0 CA--C 1.536 0.405 0 N-CA-C 112.025 0.379 . . . . 0.0 112.025 -179.114 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 38' ' ' ARG . . . . . 0.418 HH11 ' HD3' ' B' ' 38' ' ' ARG . 53.0 mtm-85 -96.07 -43.4 7.79 Favored 'General case' 0 CA--C 1.514 -0.427 0 CA-C-O 121.604 0.716 . . . . 0.0 109.725 -177.67 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 39' ' ' VAL . . . . . 0.643 HG23 ' O ' ' B' ' 35' ' ' ALA . 36.0 t -59.62 -42.29 87.82 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.847 0 CA-C-N 114.681 -1.145 . . . . 0.0 110.848 -179.544 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 40' ' ' SER . . . . . 0.472 ' O ' HG12 ' B' ' 43' ' ' ILE . 69.8 p -74.09 -13.02 60.77 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.627 -178.42 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 22.2 t -88.34 -12.99 41.83 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.191 0.519 . . . . 0.0 110.021 -178.388 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 42.7 m-80 -115.94 -3.29 12.16 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.19 -175.036 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 43' ' ' ILE . . . . . 0.486 HG13 ' N ' ' B' ' 44' ' ' ALA . 4.3 pt -60.54 -42.55 91.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 120.904 0.383 . . . . 0.0 111.093 178.803 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 44' ' ' ALA . . . . . 0.486 ' N ' HG13 ' B' ' 43' ' ' ILE . . . -77.07 -11.75 59.85 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.098 0.475 . . . . 0.0 110.87 -177.099 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -83.69 -53.29 5.75 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.952 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 46' ' ' ILE . . . . . 0.45 ' HA ' ' HB3' ' B' ' 53' ' ' ALA . 46.1 mt -64.65 -36.3 77.1 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.238 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.546 179.858 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.83 -21.84 66.22 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.699 -178.845 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 33.1 t -93.67 -40.44 10.25 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.132 -177.606 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -96.26 -19.88 26.92 Favored Glycine 0 CA--C 1.52 0.344 0 C-N-CA 120.449 -0.882 . . . . 0.0 113.261 -175.702 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 72.31 -75.16 0.82 Allowed Glycine 0 N--CA 1.451 -0.325 0 N-CA-C 111.498 -0.641 . . . . 0.0 111.498 -178.22 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -117.95 -23.12 7.58 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-O 120.986 0.422 . . . . 0.0 110.494 179.17 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 46.7 m -71.44 -14.44 62.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.968 -177.821 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 53' ' ' ALA . . . . . 0.45 ' HB3' ' HA ' ' B' ' 46' ' ' ILE . . . -89.52 -17.55 28.4 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.899 -178.511 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 54' ' ' LEU . . . . . 0.473 HD11 HG11 ' A' ' 88' ' ' VAL . 46.8 mt -53.65 -57.31 17.88 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 115.911 -0.586 . . . . 0.0 112.08 -176.494 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 55' ' ' PRO . . . . . 0.411 ' HD2' ' N ' ' B' ' 54' ' ' LEU . 36.0 Cg_endo -65.94 -7.04 15.68 Favored 'Trans proline' 0 C--N 1.354 0.817 0 C-N-CA 122.186 1.924 . . . . 0.0 112.9 -175.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 20.1 m -104.36 -37.13 7.34 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.969 0.414 . . . . 0.0 110.747 177.885 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 55.4 t -80.52 -39.43 18.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.406 -174.69 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 58' ' ' ILE . . . . . 0.596 HG12 HD22 ' B' ' 83' ' ' LEU . 54.6 mt -61.0 -38.68 80.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.877 177.889 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 22.8 t -66.99 -39.71 87.21 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.182 179.688 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 96.7 m-20 -58.09 -53.82 53.89 Favored 'General case' 0 CA--C 1.518 -0.286 0 CA-C-O 121.425 0.631 . . . . 0.0 110.643 178.595 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 61' ' ' ILE . . . . . 0.459 ' O ' HG23 ' B' ' 65' ' ' VAL . 54.8 mt -70.56 -46.34 70.43 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 115.205 -0.907 . . . . 0.0 111.4 -176.306 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 62' ' ' TYR . . . . . 0.561 ' O ' HG23 ' B' ' 66' ' ' VAL . 67.6 t80 -54.33 -59.32 4.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.078 -178.127 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 7.6 t -65.11 -27.15 68.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.482 -177.097 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -65.62 -42.99 95.2 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.874 -0.679 . . . . 0.0 111.566 177.358 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 65' ' ' VAL . . . . . 0.66 HG12 HG11 ' B' ' 70' ' ' VAL . 52.3 t -71.3 -42.71 74.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 120.874 0.369 . . . . 0.0 110.527 177.659 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 66' ' ' VAL . . . . . 0.561 HG23 ' O ' ' B' ' 62' ' ' TYR . 99.1 t -58.01 -33.73 47.06 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.249 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.033 -179.525 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.25 -23.48 64.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.7 178.836 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 40.1 t -74.32 -11.17 60.19 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 116.582 -0.281 . . . . 0.0 111.169 -178.794 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 95.06 25.77 13.8 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.604 -0.808 . . . . 0.0 112.199 178.275 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 70' ' ' VAL . . . . . 0.66 HG11 HG12 ' B' ' 65' ' ' VAL . 14.9 p -90.38 155.12 3.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 N-CA-C 109.94 -0.393 . . . . 0.0 109.94 179.77 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 36.9 t -60.12 137.73 58.04 Favored 'General case' 0 N--CA 1.453 -0.325 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 174.545 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 27.1 m -54.96 -39.76 69.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.87 0.367 . . . . 0.0 111.763 -176.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -72.21 -37.38 69.23 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.752 -177.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -71.6 -34.96 70.32 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 176.72 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 75' ' ' ALA . . . . . 0.604 ' HB2' HG13 ' B' ' 70' ' ' VAL . . . -61.05 -40.32 93.18 Favored 'General case' 0 C--O 1.224 -0.265 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.742 175.318 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 76' ' ' LEU . . . . . 0.465 HD23 ' HB3' ' B' ' 118' ' ' TYR . 3.3 tm? -51.02 -53.16 35.94 Favored 'General case' 0 CA--C 1.519 -0.232 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.852 177.866 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 77' ' ' ILE . . . . . 0.727 ' O ' ' HG ' ' B' ' 81' ' ' LEU . 36.1 mm -60.96 -53.72 45.3 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-N 115.306 -0.861 . . . . 0.0 111.104 -178.199 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 78' ' ' GLN . . . . . 0.496 ' HB2' ' HB1' ' B' ' 26' ' ' ALA . 49.7 tt0 -57.79 -48.41 79.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.861 0.362 . . . . 0.0 111.029 -179.202 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.26 -39.8 94.1 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.294 -177.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 80' ' ' LEU . . . . . 0.712 ' O ' ' HG ' ' B' ' 84' ' ' LEU . 2.8 mm? -62.42 -38.41 89.57 Favored 'General case' 0 C--O 1.221 -0.446 0 C-N-CA 121.068 -0.253 . . . . 0.0 110.627 175.48 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 81' ' ' LEU . . . . . 0.727 ' HG ' ' O ' ' B' ' 77' ' ' ILE . 26.8 mt -74.75 -35.48 62.61 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 120.84 0.352 . . . . 0.0 111.0 -178.095 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -66.13 -23.85 66.57 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.357 0.599 . . . . 0.0 110.121 171.563 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 83' ' ' LEU . . . . . 0.596 HD22 HG12 ' B' ' 58' ' ' ILE . 40.2 tp -79.27 -43.73 23.12 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.666 176.01 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 84' ' ' LEU . . . . . 0.712 ' HG ' ' O ' ' B' ' 80' ' ' LEU . 13.6 mt -66.08 -9.17 28.5 Favored 'General case' 0 C--O 1.223 -0.341 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.362 -175.028 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 1.6 p -99.27 -26.62 14.11 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.127 179.827 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 86' ' ' ALA . . . . . 0.423 ' O ' HG13 ' B' ' 90' ' ' VAL . . . -72.45 -44.94 61.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.415 0.626 . . . . 0.0 110.469 -178.389 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 87' ' ' LEU . . . . . 0.481 HD12 HG13 ' B' ' 88' ' ' VAL . 1.2 pp -80.48 -12.53 59.53 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.358 -0.837 . . . . 0.0 112.608 -172.94 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 88' ' ' VAL . . . . . 0.481 HG13 HD12 ' B' ' 87' ' ' LEU . 16.3 m -97.29 -24.31 4.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 C-N-CA 120.516 -0.474 . . . . 0.0 110.675 176.355 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 89' ' ' HIS . . . . . . . . . . . . . 68.2 t60 -69.05 -31.15 69.72 Favored 'General case' 0 N--CA 1.449 -0.511 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 177.661 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 90' ' ' VAL . . . . . 0.659 ' HA ' HG11 ' A' ' 99' ' ' VAL . 21.8 m -64.22 -27.2 42.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 C-N-CA 120.63 -0.428 . . . . 0.0 110.98 -177.248 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 91' ' ' LEU . . . . . 0.541 ' HA ' ' HB3' ' B' ' 94' ' ' ALA . 4.0 mm? -65.75 -20.14 66.16 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.977 179.139 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 34.8 t -62.42 -25.91 68.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.894 178.696 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 21.0 t -129.87 12.82 5.77 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.183 0.516 . . . . 0.0 110.436 179.655 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 94' ' ' ALA . . . . . 0.541 ' HB3' ' HA ' ' B' ' 91' ' ' LEU . . . -106.11 92.23 4.06 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.192 178.138 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 1.4 m -64.22 93.03 0.09 Allowed 'General case' 0 N--CA 1.429 -1.502 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.51 176.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 96' ' ' ILE . . . . . 0.653 HD13 ' HB1' ' A' ' 47' ' ' ALA . 18.7 tt -78.92 147.2 6.97 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.627 0 CA-C-O 120.818 0.342 . . . . 0.0 110.77 -179.195 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 97' ' ' GLY . . . . . . . . . . . . . . . -92.56 -112.07 1.99 Allowed Glycine 0 N--CA 1.446 -0.67 0 C-N-CA 120.5 -0.857 . . . . 0.0 111.849 178.846 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 98' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -125.41 103.71 8.05 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 110.165 -0.309 . . . . 0.0 110.165 -179.738 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 99' ' ' VAL . . . . . 0.623 HG12 ' HB2' ' A' ' 93' ' ' SER . 14.3 m -82.73 141.68 14.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-O 121.095 0.474 . . . . 0.0 110.766 179.872 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 100' ' ' SER . . . . . . . . . . . . . 15.0 m -108.72 155.08 21.14 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.948 -178.702 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 46.7 m -83.9 31.6 0.48 Allowed 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 120.954 0.407 . . . . 0.0 110.971 -178.492 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 40.3 t -118.81 117.43 54.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.584 -0.28 . . . . 0.0 110.445 -177.816 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . 115.62 -14.68 17.51 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 121.011 -0.614 . . . . 0.0 112.388 176.674 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 104' ' ' VAL . . . . . 0.429 ' O ' HD23 ' B' ' 108' ' ' LEU . 17.8 t -60.16 -31.68 48.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.889 0.376 . . . . 0.0 110.036 -179.604 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -52.53 -42.98 64.84 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.761 179.554 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 23.3 t -77.56 -23.2 50.11 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.487 -179.084 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 14.2 m -71.96 -32.73 67.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.918 0.39 . . . . 0.0 110.461 -178.848 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 108' ' ' LEU . . . . . 0.759 HD12 ' HB3' ' A' ' 30' ' ' LEU . 4.5 mm? -59.8 -34.36 72.94 Favored 'General case' 0 C--O 1.224 -0.257 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.969 177.599 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 109' ' ' ASN . . . . . . . . . . . . . 18.6 m-80 -69.5 -20.01 63.72 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.603 -178.221 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 110' ' ' VAL . . . . . . . . . . . . . 25.0 t -90.9 -38.22 10.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.995 -177.756 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 111' ' ' VAL . . . . . 0.574 HG12 ' O ' ' B' ' 108' ' ' LEU . 10.6 p -60.94 -30.67 47.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 121.135 0.493 . . . . 0.0 110.617 -178.681 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 112' ' ' GLN . . . . . 0.435 ' HG3' ' O ' ' B' ' 108' ' ' LEU . 26.0 mt-30 -65.34 -30.04 70.84 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.699 -179.693 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 113' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -77.33 -31.69 54.72 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.134 -0.939 . . . . 0.0 111.076 -173.253 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 13.7 m -85.11 -36.77 20.92 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.715 -0.675 . . . . 0.0 112.263 -170.775 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 115' ' ' VAL . . . . . 0.411 HG12 ' O ' ' B' ' 111' ' ' VAL . 7.2 p -113.82 -21.27 5.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 N-CA-C 111.953 0.353 . . . . 0.0 111.953 -174.783 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 116' ' ' GLY . . . . . . . . . . . . . . . -63.08 -20.07 62.2 Favored Glycine 0 CA--C 1.518 0.265 0 C-N-CA 120.946 -0.645 . . . . 0.0 113.074 -175.809 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -85.3 3.33 40.13 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 111.622 0.23 . . . . 0.0 111.622 -178.712 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 118' ' ' TYR . . . . . 0.465 ' HB3' HD23 ' B' ' 76' ' ' LEU . 84.4 m-85 -112.52 -34.46 5.84 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.843 0.354 . . . . 0.0 110.45 177.782 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 119' ' ' VAL . . . . . . . . . . . . . 33.5 m -77.5 -4.82 6.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.072 179.5 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.743 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 178.178 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 11.7 m . . . . . 0 N--CA 1.447 -0.583 0 CA-C-O 120.675 0.274 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.459 ' CE1' ' HA ' ' A' ' 74' ' ' GLU . 0.1 OUTLIER -151.42 125.43 9.21 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 179.545 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -86.29 -22.14 26.95 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 112.328 0.492 . . . . 0.0 112.328 -176.104 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.94 -29.87 76.08 Favored Glycine 0 CA--C 1.506 -0.487 0 N-CA-C 111.87 -0.492 . . . . 0.0 111.87 -178.614 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.552 ' HB1' ' HB2' ' A' ' 78' ' ' GLN . . . -67.52 -10.96 56.57 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 114.939 -0.63 . . . . 0.0 110.411 176.226 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.518 HG22 ' CD1' ' A' ' 81' ' ' LEU . 3.1 t -103.09 -42.38 8.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.581 -179.65 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 26.3 m120 -65.91 -33.13 75.13 Favored 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 120.55 -0.46 . . . . 0.0 110.972 -177.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 73.2 ttt180 -67.45 -8.59 34.54 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.358 -178.246 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.514 ' HB3' HD22 ' B' ' 108' ' ' LEU . 84.6 mt -68.78 -19.95 64.33 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.88 0.372 . . . . 0.0 111.208 179.788 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 65.6 p -83.12 5.7 21.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.274 0.559 . . . . 0.0 110.694 179.522 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 45.9 t -87.59 158.72 18.81 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.266 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.83 -26.63 68.84 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.59 177.67 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -53.05 -59.37 4.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.675 178.561 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.661 ' O ' HG23 ' A' ' 39' ' ' VAL . . . -60.23 -59.51 5.3 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.322 -0.854 . . . . 0.0 110.82 179.017 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -48.15 -38.11 17.22 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 111.921 0.341 . . . . 0.0 111.921 -175.422 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 22.7 t -72.31 -27.43 62.44 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 112.272 0.471 . . . . 0.0 112.272 -179.232 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 87.5 mtt-85 -96.65 -38.57 9.88 Favored 'General case' 0 CA--C 1.514 -0.414 0 CA-C-O 121.406 0.622 . . . . 0.0 110.373 -176.063 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.661 HG23 ' O ' ' A' ' 35' ' ' ALA . 32.9 t -63.98 -38.68 83.03 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.866 0 CA-C-N 114.986 -1.006 . . . . 0.0 110.35 179.128 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.474 ' O ' HG12 ' A' ' 43' ' ' ILE . 88.1 p -77.97 -11.67 59.92 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.273 0.558 . . . . 0.0 110.956 179.585 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 44.8 t -82.9 -23.19 33.67 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.283 0.564 . . . . 0.0 110.099 179.516 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 32.4 m-80 -111.63 -0.48 16.06 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.528 -172.435 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.474 HG12 ' O ' ' A' ' 40' ' ' SER . 3.4 pt -59.8 -42.23 88.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.927 0.394 . . . . 0.0 110.705 176.453 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.435 ' N ' HG13 ' A' ' 43' ' ' ILE . . . -75.78 -15.61 60.23 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.888 -176.857 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -79.69 -51.8 8.77 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.145 -179.098 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 46.2 mt -64.89 -36.82 78.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.149 179.138 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.73 ' HB1' HD13 ' B' ' 96' ' ' ILE . . . -65.17 -15.85 62.87 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.446 -179.757 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 28.6 m -112.81 -1.15 14.73 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.394 -177.54 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -126.85 -25.97 1.18 Allowed Glycine 0 CA--C 1.518 0.28 0 C-N-CA 120.524 -0.846 . . . . 0.0 112.929 -179.249 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 77.27 -76.41 1.66 Allowed Glycine 0 N--CA 1.448 -0.535 0 N-CA-C 111.377 -0.689 . . . . 0.0 111.377 179.312 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -126.02 -18.89 4.93 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-O 120.908 0.385 . . . . 0.0 110.61 178.583 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 33.0 t -75.79 -8.46 56.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.883 0.373 . . . . 0.0 110.718 -176.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -95.67 -16.15 22.22 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.753 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.49 HD11 HG11 ' B' ' 88' ' ' VAL . 65.2 mt -53.19 -58.88 10.67 Favored Pre-proline 0 CA--C 1.534 0.353 0 CA-C-N 116.116 -0.493 . . . . 0.0 112.045 -176.849 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.424 ' HD2' ' N ' ' A' ' 54' ' ' LEU . 24.7 Cg_endo -62.26 -20.9 71.6 Favored 'Trans proline' 0 C--N 1.352 0.723 0 C-N-CA 122.273 1.982 . . . . 0.0 112.344 -176.366 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 14.1 m -90.86 -37.37 13.63 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.93 -178.799 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 62.3 t -77.56 -38.98 26.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 121.051 0.453 . . . . 0.0 109.908 -176.549 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.493 HG12 HD22 ' A' ' 83' ' ' LEU . 79.7 mt -57.39 -39.24 67.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.661 -0.7 . . . . 0.0 109.603 173.775 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 42.4 t -66.76 -41.1 88.29 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.006 -179.099 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 93.0 m-20 -60.44 -44.77 95.47 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.075 179.777 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.463 HG21 ' HB2' ' A' ' 82' ' ' GLU . 56.9 mt -80.24 -46.03 22.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.59 -177.084 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.472 ' O ' HG23 ' A' ' 66' ' ' VAL . 62.0 t80 -53.83 -54.28 40.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.431 -177.144 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 10.2 t -62.54 -29.53 70.63 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.914 0.388 . . . . 0.0 110.127 -178.475 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -68.3 -41.78 84.79 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.942 -0.647 . . . . 0.0 111.781 179.151 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.657 HG12 HG11 ' A' ' 70' ' ' VAL . 43.6 t -70.98 -43.75 76.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 121.024 0.44 . . . . 0.0 110.622 178.769 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.472 HG23 ' O ' ' A' ' 62' ' ' TYR . 98.1 t -59.8 -34.32 55.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.905 -179.627 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.36 -17.05 63.35 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.869 179.233 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 33.0 t -76.2 -18.84 58.88 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.027 0.441 . . . . 0.0 110.558 179.742 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 96.84 37.09 4.8 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.661 -0.781 . . . . 0.0 111.873 -177.687 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.657 HG11 HG12 ' A' ' 65' ' ' VAL . 15.0 p -96.9 161.92 2.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 N-CA-C 109.77 -0.456 . . . . 0.0 109.77 178.77 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 41.9 t -65.08 144.18 57.42 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 174.094 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 10.6 t -60.66 -41.9 95.94 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.643 0.258 . . . . 0.0 111.339 -176.379 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -72.57 -33.27 66.65 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.06 0.457 . . . . 0.0 109.944 -176.884 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.459 ' HA ' ' CE1' ' A' ' 23' ' ' TYR . 35.8 tt0 -74.95 -33.47 61.93 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.178 179.274 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.471 ' HB2' HG13 ' A' ' 70' ' ' VAL . . . -62.01 -36.74 82.45 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.251 178.199 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.474 HD23 ' HB3' ' A' ' 118' ' ' TYR . 3.0 tm? -55.07 -45.07 75.32 Favored 'General case' 0 N--CA 1.463 0.188 0 O-C-N 123.316 0.385 . . . . 0.0 110.042 178.64 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.705 ' O ' ' HG ' ' A' ' 81' ' ' LEU . 40.2 mm -62.41 -56.91 14.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.866 -178.881 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' GLN . . . . . 0.552 ' HB2' ' HB1' ' A' ' 26' ' ' ALA . 49.1 tt0 -59.13 -49.4 78.0 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.699 0.285 . . . . 0.0 111.074 -178.627 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.11 -34.43 73.48 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.182 -177.224 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.6 ' O ' HD23 ' A' ' 84' ' ' LEU . 5.2 mt -70.76 -41.52 71.66 Favored 'General case' 0 N--CA 1.449 -0.499 0 C-N-CA 120.692 -0.403 . . . . 0.0 110.722 176.149 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.705 ' HG ' ' O ' ' A' ' 77' ' ' ILE . 20.0 mt -69.26 -33.34 73.1 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 120.998 0.428 . . . . 0.0 110.631 -177.437 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.463 ' HB2' HG21 ' A' ' 61' ' ' ILE . 41.9 mt-10 -67.24 -21.04 65.75 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.636 171.745 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.515 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 37.0 tp -84.47 -41.83 16.2 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.013 0.435 . . . . 0.0 110.43 175.478 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.681 HD21 HD21 ' B' ' 84' ' ' LEU . 4.1 mm? -65.05 -9.52 22.81 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.555 -0.748 . . . . 0.0 112.048 -177.544 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.9 p -100.82 -25.86 13.97 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 120.846 0.355 . . . . 0.0 110.99 179.591 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -73.21 -46.8 48.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.459 0.647 . . . . 0.0 110.577 -178.646 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.515 ' HG ' ' O ' ' A' ' 83' ' ' LEU . 1.1 pp -77.98 -14.33 59.56 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.348 -0.842 . . . . 0.0 112.877 -171.652 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.462 HG13 HD12 ' A' ' 87' ' ' LEU . 17.6 m -96.2 -21.63 5.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 C-N-CA 120.442 -0.503 . . . . 0.0 110.654 176.249 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 65.5 t60 -69.26 -33.96 74.03 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 176.715 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.477 ' HA ' HG11 ' B' ' 99' ' ' VAL . 23.2 m -64.96 -25.63 38.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.424 -176.346 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.704 ' HA ' ' HB3' ' A' ' 94' ' ' ALA . 3.9 mm? -63.88 -22.55 66.97 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.006 -179.286 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 25.9 t -57.21 -31.44 65.49 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.964 178.616 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 9.4 t -123.44 13.26 9.46 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-O 121.587 0.708 . . . . 0.0 109.842 -178.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.704 ' HB3' ' HA ' ' A' ' 91' ' ' LEU . . . -103.77 92.99 4.66 Favored 'General case' 0 N--CA 1.445 -0.708 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.131 178.846 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 21.4 t -72.61 91.48 1.44 Allowed 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.659 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.793 HD13 ' HB1' ' B' ' 47' ' ' ALA . 20.4 tt -73.82 142.79 14.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.429 -179.029 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -87.54 -98.69 0.88 Allowed Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.052 179.216 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 8.6 t30 -138.6 111.52 7.81 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.825 0.345 . . . . 0.0 110.249 177.675 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.634 HG13 HD11 ' A' ' 96' ' ' ILE . 7.4 m -85.91 148.64 4.6 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.019 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 43.7 t -109.55 146.64 34.32 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.868 -0.605 . . . . 0.0 109.83 -179.055 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 54.8 m -76.51 -6.8 53.39 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.22 0.534 . . . . 0.0 110.411 176.917 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 60.3 t -93.02 108.61 20.6 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.432 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.625 -178.402 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 130.72 -16.27 5.36 Favored Glycine 0 N--CA 1.453 -0.182 0 C-N-CA 120.853 -0.689 . . . . 0.0 112.998 176.507 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.403 HG22 ' CD2' ' B' ' 89' ' ' HIS . 21.6 t -58.36 -28.33 35.3 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.378 0 C-N-CA 122.139 0.176 . . . . 0.0 111.112 -178.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -49.65 -46.43 49.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.465 178.212 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 18.6 m -74.65 -36.37 62.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.66 -176.461 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 9.6 m -64.32 -27.12 68.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.615 0.722 . . . . 0.0 110.094 178.59 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.633 HD21 HG21 ' B' ' 39' ' ' VAL . 2.7 mt -71.7 -16.45 62.24 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.506 -0.77 . . . . 0.0 111.64 177.477 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -82.54 -30.06 29.96 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 120.701 0.286 . . . . 0.0 110.763 -179.741 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 7.3 p -85.51 -29.68 6.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 120.793 0.33 . . . . 0.0 111.258 -177.846 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 14.4 p -62.77 -31.73 53.29 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.346 0 CA-C-O 121.203 0.525 . . . . 0.0 110.232 178.073 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 112' ' ' GLN . . . . . 0.498 ' HG3' ' O ' ' A' ' 108' ' ' LEU . 26.8 mt-30 -63.95 -32.57 74.15 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.945 -178.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -81.13 -19.9 42.54 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.575 -0.738 . . . . 0.0 110.429 -175.701 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 114' ' ' SER . . . . . 0.401 ' OG ' ' HD3' ' A' ' 55' ' ' PRO . 15.0 m -83.43 -41.32 18.23 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.441 -175.264 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.692 HG11 HD22 ' B' ' 81' ' ' LEU . 12.3 p -112.64 -22.42 4.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.716 -173.454 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -57.84 -27.32 59.13 Favored Glycine 0 C--N 1.331 0.292 0 C-N-CA 121.458 -0.401 . . . . 0.0 113.366 -176.122 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -83.27 0.89 43.6 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 111.619 0.229 . . . . 0.0 111.619 -178.059 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 118' ' ' TYR . . . . . 0.474 ' HB3' HD23 ' A' ' 76' ' ' LEU . 92.9 m-85 -114.06 -32.22 6.11 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.181 0.515 . . . . 0.0 110.293 177.871 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.49 ' O ' ' HB3' ' B' ' 22' ' ' SER . 30.9 m . . . . . 0 C--N 1.326 -0.454 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.065 178.254 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 22' ' ' SER . . . . . 0.49 ' HB3' ' O ' ' A' ' 119' ' ' VAL . 7.1 m . . . . . 0 CA--C 1.514 -0.413 0 CA-C-O 120.603 0.239 . . . . 0.0 110.741 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 23' ' ' TYR . . . . . 0.451 ' OH ' ' HB3' ' B' ' 73' ' ' ASN . 0.3 OUTLIER -147.31 136.28 22.26 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.258 -177.835 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 24' ' ' ALA . . . . . 0.427 ' HA ' HG23 ' B' ' 27' ' ' VAL . . . -101.34 -13.37 18.05 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.927 -178.155 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -67.52 -31.48 76.64 Favored Glycine 0 CA--C 1.509 -0.291 0 C-N-CA 120.456 -0.878 . . . . 0.0 111.594 -178.341 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 26' ' ' ALA . . . . . 0.468 ' HB1' ' HB2' ' B' ' 78' ' ' GLN . . . -64.78 -20.59 66.46 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.349 0.595 . . . . 0.0 110.809 175.903 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 27' ' ' VAL . . . . . 0.444 HG22 ' CD1' ' B' ' 81' ' ' LEU . 2.3 t -91.18 -44.33 14.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.176 -178.471 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 59.3 m-20 -68.92 -15.26 63.44 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.348 -0.842 . . . . 0.0 111.491 -173.333 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 68.4 ttt180 -88.22 -6.02 58.05 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.828 -178.471 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 30' ' ' LEU . . . . . 0.607 HD11 ' HB3' ' B' ' 81' ' ' LEU . 87.0 mt -71.38 -25.73 62.49 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.233 -176.478 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 10.3 p -79.09 1.3 24.66 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.983 0.42 . . . . 0.0 111.113 179.463 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 55.6 m -89.12 152.66 21.51 Favored 'General case' 0 N--CA 1.442 -0.835 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.472 177.587 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.73 -21.02 65.5 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.239 -179.606 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -52.74 -58.4 6.99 Favored 'General case' 0 CA--C 1.52 -0.186 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.271 176.548 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 35' ' ' ALA . . . . . 0.666 ' O ' HG23 ' B' ' 39' ' ' VAL . . . -60.42 -55.96 27.24 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.562 179.086 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -47.54 -36.36 10.34 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 115.945 -0.571 . . . . 0.0 112.141 -176.175 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 23.1 t -68.08 -32.82 73.42 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.331 -0.395 . . . . 0.0 112.064 -178.546 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 38' ' ' ARG . . . . . 0.435 ' NH1' ' HA3' ' B' ' 64' ' ' GLY . 49.3 mtt-85 -96.99 -37.5 10.15 Favored 'General case' 0 CA--C 1.516 -0.336 0 CA-C-O 121.384 0.611 . . . . 0.0 110.572 -175.237 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 39' ' ' VAL . . . . . 0.666 HG23 ' O ' ' B' ' 35' ' ' ALA . 24.2 t -61.94 -39.2 82.75 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.868 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.181 178.736 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 91.2 p -78.15 -6.75 55.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.974 0.416 . . . . 0.0 111.07 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 48.5 t -90.3 -15.32 31.45 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.321 0.581 . . . . 0.0 110.177 179.786 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 42' ' ' ASN . . . . . 0.4 ' HB3' HG13 ' B' ' 57' ' ' VAL . 39.8 m-80 -117.65 -3.63 11.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.215 -175.094 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 43' ' ' ILE . . . . . 0.499 HG23 ' O ' ' B' ' 39' ' ' VAL . 6.4 pt -57.8 -43.62 84.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.971 0.415 . . . . 0.0 111.086 177.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 44' ' ' ALA . . . . . 0.497 ' N ' HG13 ' B' ' 43' ' ' ILE . . . -77.13 -12.04 59.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.84 -175.559 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -79.89 -51.82 8.64 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.839 -0.618 . . . . 0.0 109.76 178.341 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 46' ' ' ILE . . . . . 0.42 HG21 ' HB3' ' B' ' 87' ' ' LEU . 37.3 mt -66.98 -35.32 74.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.264 -179.635 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 47' ' ' ALA . . . . . 0.793 ' HB1' HD13 ' A' ' 96' ' ' ILE . . . -63.54 -19.92 65.19 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.445 178.93 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 44.1 m -104.68 -35.18 7.89 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.548 -176.795 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -95.86 -19.31 29.45 Favored Glycine 0 CA--C 1.519 0.313 0 C-N-CA 120.463 -0.875 . . . . 0.0 113.191 -177.863 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 73.39 -75.46 0.99 Allowed Glycine 0 C--O 1.225 -0.43 0 N-CA-C 111.721 -0.552 . . . . 0.0 111.721 179.635 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -124.58 -21.1 4.93 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.478 -0.361 . . . . 0.0 110.794 -179.292 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 15.3 t -75.3 -13.02 60.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.097 0.475 . . . . 0.0 110.223 -178.364 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -87.85 -19.4 27.46 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.606 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 54' ' ' LEU . . . . . 0.446 HD11 HG11 ' A' ' 88' ' ' VAL . 49.5 mt -52.98 -57.98 14.07 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.979 -176.481 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 55' ' ' PRO . . . . . 0.44 ' HD2' ' N ' ' B' ' 54' ' ' LEU . 20.5 Cg_endo -61.34 -25.12 79.82 Favored 'Trans proline' 0 C--N 1.352 0.74 0 C-N-CA 122.157 1.904 . . . . 0.0 112.453 -177.42 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 48.5 m -84.23 -39.59 19.12 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.788 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 57' ' ' VAL . . . . . 0.4 HG13 ' HB3' ' B' ' 42' ' ' ASN . 63.1 t -76.22 -39.08 34.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.094 -174.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 58' ' ' ILE . . . . . 0.495 HG12 HD22 ' B' ' 83' ' ' LEU . 62.2 mt -57.03 -43.64 81.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.031 174.766 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 32.6 t -67.43 -39.53 85.46 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.571 -177.774 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 81.9 m-20 -61.01 -43.81 98.33 Favored 'General case' 0 CA--C 1.519 -0.224 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.095 179.119 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 61' ' ' ILE . . . . . 0.458 ' O ' HG23 ' B' ' 65' ' ' VAL . 63.2 mt -79.54 -48.36 21.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 115.714 -0.676 . . . . 0.0 111.428 -178.315 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 62' ' ' TYR . . . . . 0.495 ' O ' HG23 ' B' ' 66' ' ' VAL . 45.7 t80 -55.22 -54.39 44.03 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.566 -0.288 . . . . 0.0 110.894 -176.05 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 19.6 m -60.94 -29.75 69.81 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.83 -179.232 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 64' ' ' GLY . . . . . 0.435 ' HA3' ' NH1' ' B' ' 38' ' ' ARG . . . -73.21 -44.42 35.23 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.947 -0.644 . . . . 0.0 111.799 178.413 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 65' ' ' VAL . . . . . 0.681 HG12 HG11 ' B' ' 70' ' ' VAL . 85.7 t -65.17 -42.56 94.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-O 120.874 0.369 . . . . 0.0 111.083 179.841 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 66' ' ' VAL . . . . . 0.495 HG23 ' O ' ' B' ' 62' ' ' TYR . 90.1 t -60.58 -46.3 95.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.746 179.661 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.91 -14.92 63.35 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.313 178.92 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 27.8 t -78.22 -15.5 58.74 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.848 -179.105 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 101.28 27.91 7.05 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.216 -0.992 . . . . 0.0 113.211 176.911 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 70' ' ' VAL . . . . . 0.681 HG11 HG12 ' B' ' 65' ' ' VAL . 11.6 p -80.31 166.36 2.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 N-CA-C 110.25 -0.278 . . . . 0.0 110.25 177.787 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 71' ' ' SER . . . . . 0.443 ' N ' HG22 ' B' ' 70' ' ' VAL . 47.2 t -69.38 151.32 46.29 Favored 'General case' 0 N--CA 1.454 -0.255 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 172.616 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 7.2 p -56.5 -64.02 1.0 Allowed 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.985 0.735 . . . . 0.0 112.985 -170.426 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 73' ' ' ASN . . . . . 0.451 ' HB3' ' OH ' ' B' ' 23' ' ' TYR . 3.2 t30 -76.72 -18.53 58.45 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 120.634 -0.426 . . . . 0.0 110.818 -176.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 74' ' ' GLU . . . . . 0.403 ' HB3' ' HB3' ' B' ' 71' ' ' SER . 38.6 tt0 -74.27 -23.41 59.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.143 0.497 . . . . 0.0 109.855 177.725 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.26 -39.9 88.44 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.538 176.036 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 76' ' ' LEU . . . . . 0.479 HD23 ' HB3' ' B' ' 118' ' ' TYR . 2.8 tm? -56.0 -48.3 76.16 Favored 'General case' 0 CA--C 1.516 -0.335 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.628 177.496 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 77' ' ' ILE . . . . . 0.624 ' O ' ' HG ' ' B' ' 81' ' ' LEU . 40.2 mm -64.27 -53.75 39.47 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-N 115.399 -0.819 . . . . 0.0 111.242 -177.547 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 78' ' ' GLN . . . . . 0.468 ' HB2' ' HB1' ' B' ' 26' ' ' ALA . 14.3 tt0 -58.4 -46.74 85.82 Favored 'General case' 0 N--CA 1.465 0.32 0 C-N-CA 121.176 -0.21 . . . . 0.0 111.024 179.533 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -59.82 -41.02 90.36 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.037 0.446 . . . . 0.0 110.451 -179.702 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 80' ' ' LEU . . . . . 0.611 ' O ' HD23 ' B' ' 84' ' ' LEU . 2.2 mm? -64.99 -45.65 84.71 Favored 'General case' 0 N--CA 1.446 -0.673 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.073 176.215 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 81' ' ' LEU . . . . . 0.692 HD22 HG11 ' A' ' 115' ' ' VAL . 14.0 mt -68.17 -36.72 80.06 Favored 'General case' 0 C--N 1.322 -0.591 0 O-C-N 122.238 -0.288 . . . . 0.0 111.613 -175.645 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -64.8 -27.2 68.72 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.091 0.472 . . . . 0.0 110.785 172.608 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 83' ' ' LEU . . . . . 0.55 ' O ' ' HG ' ' B' ' 87' ' ' LEU . 35.1 tp -76.97 -43.25 35.75 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.035 0.445 . . . . 0.0 110.56 174.586 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 84' ' ' LEU . . . . . 0.681 HD21 HD21 ' A' ' 84' ' ' LEU . 4.0 mm? -63.46 -11.66 25.32 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.518 -0.765 . . . . 0.0 112.053 -177.94 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 1.5 p -101.11 -27.59 13.16 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 120.645 0.259 . . . . 0.0 110.909 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -70.64 -46.73 62.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.293 0.568 . . . . 0.0 110.554 -178.752 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 87' ' ' LEU . . . . . 0.55 ' HG ' ' O ' ' B' ' 83' ' ' LEU . 1.1 pp -77.2 -17.13 58.75 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.485 -0.779 . . . . 0.0 112.822 -172.783 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 88' ' ' VAL . . . . . 0.49 HG11 HD11 ' A' ' 54' ' ' LEU . 18.7 m -93.02 -24.61 5.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 C-N-CA 120.3 -0.56 . . . . 0.0 110.812 176.702 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 89' ' ' HIS . . . . . 0.403 ' CD2' HG22 ' A' ' 104' ' ' VAL . 73.5 t60 -67.55 -32.74 73.72 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.106 178.006 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 90' ' ' VAL . . . . . 0.476 ' HA ' HG11 ' A' ' 99' ' ' VAL . 19.1 m -64.79 -27.86 43.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.201 -177.031 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 91' ' ' LEU . . . . . 0.63 ' HA ' ' HB3' ' B' ' 94' ' ' ALA . 3.7 mm? -62.48 -25.49 68.03 Favored 'General case' 0 CA--C 1.52 -0.199 0 CA-C-O 120.983 0.42 . . . . 0.0 110.641 178.508 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 48.8 m -60.87 -22.57 64.39 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.272 179.677 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 23.2 t -130.01 18.63 5.53 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-O 121.201 0.524 . . . . 0.0 110.037 177.146 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 94' ' ' ALA . . . . . 0.63 ' HB3' ' HA ' ' B' ' 91' ' ' LEU . . . -115.19 90.65 3.39 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.286 178.569 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 8.6 t -73.09 94.48 1.92 Allowed 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 179.174 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 96' ' ' ILE . . . . . 0.73 HD13 ' HB1' ' A' ' 47' ' ' ALA . 20.4 tt -69.01 146.72 12.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.679 -175.78 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 97' ' ' GLY . . . . . . . . . . . . . . . -89.95 -86.83 1.32 Allowed Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 121.08 -0.581 . . . . 0.0 112.8 -179.181 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 98' ' ' ASN . . . . . . . . . . . . . 9.3 t30 -150.47 111.68 4.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.733 0.267 . . . . 0.0 110.702 -176.429 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 99' ' ' VAL . . . . . 0.532 ' CG1' HD11 ' B' ' 96' ' ' ILE . 8.4 m -103.25 148.65 8.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 120.969 0.414 . . . . 0.0 111.465 -178.031 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 100' ' ' SER . . . . . . . . . . . . . 50.5 m -123.19 162.84 21.78 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.375 -178.725 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 101' ' ' SER . . . . . 0.453 ' CB ' ' HB2' ' A' ' 40' ' ' SER . 6.7 p -82.55 24.48 0.7 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.853 -176.831 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 43.3 t -109.29 114.32 46.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 120.769 0.318 . . . . 0.0 110.995 -174.285 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . 111.61 -8.2 28.1 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 121.085 -0.579 . . . . 0.0 112.543 175.91 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 104' ' ' VAL . . . . . . . . . . . . . 33.5 t -60.96 -34.01 58.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 178.683 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -50.07 -48.11 53.23 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.233 -0.894 . . . . 0.0 110.284 175.435 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 39.9 m -78.21 -32.85 50.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.49 -0.777 . . . . 0.0 111.506 -177.292 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 28.0 m -59.5 -36.4 75.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.379 0.609 . . . . 0.0 109.998 175.216 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 108' ' ' LEU . . . . . 0.613 ' O ' ' HG3' ' B' ' 112' ' ' GLN . 3.3 mt -62.52 -28.38 69.81 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.345 -0.843 . . . . 0.0 111.424 177.684 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 109' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -68.63 -28.94 67.35 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.229 0.538 . . . . 0.0 110.215 178.818 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 110' ' ' VAL . . . . . . . . . . . . . 23.1 t -82.69 -37.34 14.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.888 -177.831 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 111' ' ' VAL . . . . . 0.545 HG12 ' O ' ' B' ' 108' ' ' LEU . 7.8 p -64.31 -31.83 55.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-O 121.128 0.489 . . . . 0.0 110.038 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 112' ' ' GLN . . . . . 0.613 ' HG3' ' O ' ' B' ' 108' ' ' LEU . 27.2 mt-30 -65.3 -32.79 74.63 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.381 178.568 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 113' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -73.35 -34.49 65.64 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.289 -0.869 . . . . 0.0 110.789 -178.136 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 15.3 m -76.84 -37.58 55.38 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.312 -0.858 . . . . 0.0 112.204 -170.126 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 115' ' ' VAL . . . . . 0.69 HG11 HD22 ' A' ' 81' ' ' LEU . 14.7 p -118.87 -19.89 5.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 C-N-CA 120.779 -0.369 . . . . 0.0 111.98 -173.934 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 116' ' ' GLY . . . . . . . . . . . . . . . -61.51 -17.48 53.58 Favored Glycine 0 C--O 1.228 -0.269 0 C-N-CA 121.218 -0.515 . . . . 0.0 113.027 -176.842 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -91.75 1.76 56.94 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.664 0.269 . . . . 0.0 111.236 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 118' ' ' TYR . . . . . 0.479 ' HB3' HD23 ' B' ' 76' ' ' LEU . 77.9 m-85 -112.99 -32.35 6.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.043 0.449 . . . . 0.0 110.163 177.522 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 119' ' ' VAL . . . . . . . . . . . . . 33.8 m -88.16 -2.47 8.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.35 178.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.215 0 CA-C-O 118.262 -1.299 . . . . 0.0 112.055 179.859 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.508 ' HB3' ' O ' ' B' ' 119' ' ' VAL . 26.7 m . . . . . 0 N--CA 1.444 -0.769 0 N-CA-C 109.941 -0.392 . . . . 0.0 109.941 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -149.54 129.22 13.2 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.262 -177.784 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -89.41 -14.0 36.44 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.071 -179.685 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -66.17 -32.37 82.04 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.814 -0.707 . . . . 0.0 112.236 -178.767 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.58 ' HB1' ' HB2' ' A' ' 78' ' ' GLN . . . -77.71 -3.29 40.4 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.0 0.429 . . . . 0.0 111.18 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.2 t -100.65 -51.87 9.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 C-N-CA 120.762 -0.375 . . . . 0.0 110.655 -176.151 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 3.7 p-10 -68.11 -18.42 64.64 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.027 0.441 . . . . 0.0 110.774 -176.823 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 10.9 ttt85 -72.95 -14.65 61.5 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.053 178.287 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.782 HD11 ' HB3' ' A' ' 81' ' ' LEU . 92.3 mt -65.13 -27.15 68.54 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.804 -178.434 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 63.7 p -75.25 1.87 12.47 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.938 0.399 . . . . 0.0 111.232 -177.191 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 39.0 t -84.58 151.44 24.53 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 177.276 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.87 -19.79 53.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.289 -178.839 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.462 ' HB3' ' NH2' ' A' ' 38' ' ' ARG . 30.0 mt-10 -54.1 -56.63 16.21 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.558 -0.747 . . . . 0.0 110.885 178.141 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.451 ' O ' HG23 ' A' ' 39' ' ' VAL . . . -59.9 -48.13 82.95 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.552 179.009 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.07 -7.02 7.43 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.047 -0.524 . . . . 0.0 112.165 -176.844 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 49.6 m -99.94 -22.64 15.2 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.647 0.261 . . . . 0.0 111.506 176.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.462 ' NH2' ' HB3' ' A' ' 34' ' ' GLU . 49.6 mtt180 -94.8 -53.13 3.97 Favored 'General case' 0 CA--C 1.512 -0.489 0 N-CA-C 108.979 -0.749 . . . . 0.0 108.979 -179.404 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.513 ' O ' HG23 ' A' ' 43' ' ' ILE . 52.0 t -54.85 -36.8 38.76 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 114.04 -1.437 . . . . 0.0 111.273 -179.106 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.405 ' O ' HG12 ' A' ' 43' ' ' ILE . 48.7 p -74.09 -10.92 60.11 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.778 -177.673 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 22.7 t -97.22 -10.71 25.29 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.747 0.784 . . . . 0.0 109.066 177.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 14.0 m120 -99.24 -25.17 14.59 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.038 -0.983 . . . . 0.0 109.746 -175.289 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.587 HG13 ' N ' ' A' ' 44' ' ' ALA . 7.1 pt -54.97 -41.75 60.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.138 -0.937 . . . . 0.0 111.363 179.403 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.587 ' N ' HG13 ' A' ' 43' ' ' ILE . . . -81.63 -5.14 57.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.148 0.499 . . . . 0.0 111.121 -175.422 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -95.68 -51.91 4.32 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.102 178.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.424 HG21 ' HB3' ' A' ' 87' ' ' LEU . 53.3 mt -66.37 -34.78 72.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.649 -179.114 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.692 ' HB1' HD13 ' B' ' 96' ' ' ILE . . . -63.26 -20.29 65.33 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.293 179.439 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 14.0 t -95.85 -39.88 9.6 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.154 -176.317 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -100.26 -20.26 16.25 Favored Glycine 0 CA--C 1.519 0.32 0 C-N-CA 120.627 -0.797 . . . . 0.0 113.55 -174.946 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 75.7 -79.66 1.1 Allowed Glycine 0 N--CA 1.447 -0.596 0 N-CA-C 111.399 -0.68 . . . . 0.0 111.399 -179.054 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -117.97 -19.67 9.06 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-O 121.058 0.456 . . . . 0.0 110.386 178.679 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 16.0 m -71.06 -14.99 62.51 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.458 -179.024 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -92.27 -13.68 30.03 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.835 -179.191 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.449 ' N ' ' HD2' ' A' ' 55' ' ' PRO . 45.5 mt -56.2 -57.91 19.71 Favored Pre-proline 0 C--N 1.326 -0.416 0 CA-C-N 116.089 -0.505 . . . . 0.0 112.069 -176.419 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.449 ' HD2' ' N ' ' A' ' 54' ' ' LEU . 18.2 Cg_endo -60.26 -26.59 82.98 Favored 'Trans proline' 0 C--N 1.351 0.672 0 C-N-CA 121.967 1.778 . . . . 0.0 112.191 -176.682 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 9.0 m -82.6 -41.09 19.95 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.03 -178.623 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 75.6 t -80.04 -38.06 18.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.731 -172.57 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.549 HG12 HD22 ' A' ' 83' ' ' LEU . 66.0 mt -57.25 -43.14 81.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.323 176.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 6.1 t -67.49 -36.84 81.88 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.035 -177.867 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 90.7 m-20 -61.25 -54.26 46.32 Favored 'General case' 0 CA--C 1.518 -0.252 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.982 178.234 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.465 ' O ' HG23 ' A' ' 65' ' ' VAL . 38.9 mt -66.76 -43.62 89.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.191 -177.522 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.479 ' O ' HG23 ' A' ' 66' ' ' VAL . 46.6 t80 -57.18 -55.56 33.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.891 -176.723 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 23.2 m -59.14 -34.01 71.56 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.647 179.405 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -65.71 -42.02 95.52 Favored Glycine 0 N--CA 1.453 -0.221 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.909 178.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.672 HG12 HG11 ' A' ' 70' ' ' VAL . 79.3 t -73.03 -42.4 59.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-O 120.566 0.222 . . . . 0.0 111.191 -179.395 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.479 HG23 ' O ' ' A' ' 62' ' ' TYR . 85.1 t -59.77 -39.2 79.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 121.065 0.46 . . . . 0.0 110.854 -179.876 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -74.13 -2.12 23.2 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.537 179.444 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 14.5 t -94.16 -6.06 45.7 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.607 -179.575 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 92.92 26.62 16.09 Favored Glycine 0 CA--C 1.521 0.408 0 C-N-CA 120.601 -0.809 . . . . 0.0 112.943 176.737 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.672 HG11 HG12 ' A' ' 65' ' ' VAL . 9.9 p -80.82 160.77 3.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 N-CA-C 110.307 -0.257 . . . . 0.0 110.307 178.561 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 42.0 t -64.59 145.11 56.65 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 172.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 16.4 p -53.62 -63.13 1.25 Allowed 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 112.599 0.592 . . . . 0.0 112.599 -171.703 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -69.96 -24.92 63.42 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.945 0.402 . . . . 0.0 110.626 -176.186 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -73.77 -23.78 59.77 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.04 0.448 . . . . 0.0 110.526 -179.226 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.65 -36.05 75.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.85 -0.613 . . . . 0.0 111.021 178.142 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.451 HD23 ' HB3' ' A' ' 118' ' ' TYR . 2.3 tm? -59.44 -47.18 86.47 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 178.071 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.721 ' O ' ' HG ' ' A' ' 81' ' ' LEU . 41.1 mm -63.7 -56.37 17.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.787 -179.263 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' GLN . . . . . 0.58 ' HB2' ' HB1' ' A' ' 26' ' ' ALA . 30.5 tp60 -53.8 -48.38 69.9 Favored 'General case' 0 N--CA 1.466 0.337 0 O-C-N 123.166 0.291 . . . . 0.0 111.032 179.294 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.47 -39.86 94.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.127 -179.011 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.552 ' O ' HD23 ' A' ' 84' ' ' LEU . 6.6 mt -69.18 -41.44 77.17 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.936 178.092 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.782 ' HB3' HD11 ' A' ' 30' ' ' LEU . 84.4 mt -60.98 -40.23 92.64 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.055 0.455 . . . . 0.0 110.438 179.234 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.461 ' OE1' ' HD2' ' A' ' 38' ' ' ARG . 44.3 mt-10 -67.85 -35.35 78.41 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.611 174.554 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.549 HD22 HG12 ' A' ' 58' ' ' ILE . 54.0 tp -67.73 -44.39 77.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.022 0.439 . . . . 0.0 110.764 178.66 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.697 HD21 HD21 ' B' ' 84' ' ' LEU . 4.2 mm? -63.15 -11.71 22.43 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.419 -179.005 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.417 ' OG ' HD13 ' B' ' 108' ' ' LEU . 41.4 m -94.13 -31.7 14.06 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.843 0.354 . . . . 0.0 110.912 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.434 ' HB2' HG13 ' A' ' 39' ' ' VAL . . . -70.29 -43.15 70.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.232 0.539 . . . . 0.0 110.724 -176.702 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.463 HD12 HG13 ' A' ' 88' ' ' VAL . 1.2 pp -81.59 -15.82 53.53 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.56 -0.745 . . . . 0.0 112.889 -172.439 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.463 HG13 HD12 ' A' ' 87' ' ' LEU . 18.1 m -94.56 -23.88 5.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 C-N-CA 120.478 -0.489 . . . . 0.0 110.636 175.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 73.7 t60 -65.44 -35.43 80.91 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.792 177.921 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 26.9 m -65.88 -27.9 42.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.697 -175.611 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.62 ' HA ' ' HB3' ' A' ' 94' ' ' ALA . 3.4 mm? -64.56 -23.05 67.14 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.214 -178.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 44.3 t -59.31 -30.43 68.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.002 0.429 . . . . 0.0 110.944 -179.82 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 9.5 t -121.42 9.9 10.41 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.458 0.647 . . . . 0.0 109.992 -178.509 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.62 ' HB3' ' HA ' ' A' ' 91' ' ' LEU . . . -104.94 93.04 4.5 Favored 'General case' 0 N--CA 1.447 -0.615 0 CA-C-N 115.833 -0.622 . . . . 0.0 110.377 -179.703 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 10.7 t -73.18 88.71 1.49 Allowed 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 178.868 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.639 HD13 ' HB1' ' B' ' 47' ' ' ALA . 19.6 tt -66.89 144.83 14.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 115.465 -0.789 . . . . 0.0 111.668 -177.829 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -88.22 -110.93 1.07 Allowed Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.072 178.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -125.46 111.81 15.53 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.931 0.396 . . . . 0.0 110.851 -179.747 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.51 HG11 ' HA ' ' B' ' 90' ' ' VAL . 4.2 m -94.29 136.35 25.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.996 179.502 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 20.7 m -91.47 147.63 22.89 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 115.901 -0.59 . . . . 0.0 109.878 179.108 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 13.5 m -86.52 7.62 25.33 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.227 0.537 . . . . 0.0 110.563 -179.411 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 5.8 p -109.82 123.5 65.76 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.659 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.91 -178.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 116.02 -11.56 17.57 Favored Glycine 0 N--CA 1.448 -0.512 0 CA-C-N 115.635 -0.711 . . . . 0.0 112.158 179.414 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 61.7 t -58.51 -32.24 45.29 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-O 120.666 0.27 . . . . 0.0 110.658 178.729 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -46.69 -42.03 15.89 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.261 178.114 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 46.8 m -73.54 -25.65 60.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.736 -0.666 . . . . 0.0 111.546 -177.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 14.3 m -72.53 -28.72 63.03 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.408 0.623 . . . . 0.0 109.766 179.001 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.506 HD11 HG21 ' B' ' 39' ' ' VAL . 4.3 mm? -65.1 -24.75 67.53 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.567 175.05 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -74.17 -36.9 64.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.007 -179.003 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 10.7 p -83.55 -27.13 7.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.768 0.318 . . . . 0.0 111.639 -174.289 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.439 HG12 ' O ' ' A' ' 108' ' ' LEU . 8.8 p -67.27 -28.46 42.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 121.379 0.609 . . . . 0.0 110.238 178.859 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 112' ' ' GLN . . . . . 0.524 ' HG2' HG12 ' B' ' 27' ' ' VAL . 24.7 mt-30 -70.89 -20.59 62.49 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.843 179.5 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -83.32 -34.0 25.78 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.622 -173.474 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 114' ' ' SER . . . . . 0.417 ' HB2' HD12 ' A' ' 58' ' ' ILE . 14.3 p -84.11 -46.89 11.47 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.277 -0.874 . . . . 0.0 112.034 -171.449 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.509 HG11 HD22 ' B' ' 81' ' ' LEU . 13.8 p -106.09 -14.11 9.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-O 121.121 0.486 . . . . 0.0 111.179 -174.785 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -63.86 -16.69 59.7 Favored Glycine 0 N--CA 1.452 -0.295 0 CA-C-N 115.885 -0.598 . . . . 0.0 112.726 -178.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -96.75 9.29 42.16 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.824 0.345 . . . . 0.0 110.837 178.726 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 118' ' ' TYR . . . . . 0.451 ' HB3' HD23 ' A' ' 76' ' ' LEU . 61.3 m-85 -119.98 -31.09 4.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.964 0.412 . . . . 0.0 110.24 176.877 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.443 HG21 HG21 ' B' ' 27' ' ' VAL . 30.9 m . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.132 176.096 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 8.3 m . . . . . 0 N--CA 1.444 -0.764 0 CA-C-O 120.629 0.252 . . . . 0.0 110.532 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 23' ' ' TYR . . . . . 0.421 ' CE1' ' HA ' ' B' ' 74' ' ' GLU . 0.3 OUTLIER -148.57 117.45 6.71 Favored 'General case' 0 N--CA 1.446 -0.644 0 CA-C-N 116.123 -0.49 . . . . 0.0 109.693 -178.038 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -87.16 -15.34 38.65 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.574 -177.551 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -70.54 -18.8 75.83 Favored Glycine 0 CA--C 1.506 -0.486 0 C-N-CA 120.818 -0.706 . . . . 0.0 111.999 179.05 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 26' ' ' ALA . . . . . 0.748 ' HB1' ' HB2' ' B' ' 78' ' ' GLN . . . -88.33 6.37 37.48 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-O 121.294 0.569 . . . . 0.0 110.144 177.165 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 27' ' ' VAL . . . . . 0.531 HG13 HD13 ' B' ' 81' ' ' LEU . 2.6 t -114.95 -50.68 4.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.398 -179.522 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 2.0 p-10 -72.08 -1.21 13.96 Favored 'General case' 0 N--CA 1.465 0.283 0 N-CA-C 112.25 0.463 . . . . 0.0 112.25 -175.271 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -104.33 8.55 35.95 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.517 -0.473 . . . . 0.0 110.2 174.689 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 30' ' ' LEU . . . . . 0.542 HD11 ' HB3' ' B' ' 81' ' ' LEU . 75.7 mt -72.13 -32.35 66.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.589 176.663 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 14.1 p -73.82 3.46 6.58 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.936 179.214 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 35.8 t -85.69 157.78 20.22 Favored 'General case' 0 N--CA 1.45 -0.464 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 175.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -58.97 -22.88 61.09 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.256 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -50.98 -55.68 16.13 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.131 -179.744 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 35' ' ' ALA . . . . . 0.43 ' O ' HG23 ' B' ' 39' ' ' VAL . . . -69.81 -49.16 55.4 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.247 -179.072 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.36 -13.51 13.53 Favored 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 112.248 0.462 . . . . 0.0 112.248 -177.632 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 50.8 m -89.98 -20.31 23.43 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.635 0.255 . . . . 0.0 111.454 175.731 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 61.0 mtm-85 -101.91 -51.95 3.29 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 -177.601 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 39' ' ' VAL . . . . . 0.506 HG21 HD11 ' A' ' 108' ' ' LEU . 59.2 t -53.1 -42.8 46.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 114.784 -1.098 . . . . 0.0 111.629 -178.866 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 4.5 m -72.27 -6.98 46.86 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.846 -176.618 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 21.4 t -99.3 -7.16 26.74 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.735 0.779 . . . . 0.0 109.183 176.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -100.14 -24.78 14.49 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.318 -0.856 . . . . 0.0 109.765 -176.854 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 43' ' ' ILE . . . . . 0.593 HG13 ' N ' ' B' ' 44' ' ' ALA . 6.2 pt -55.73 -40.51 61.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 114.898 -1.046 . . . . 0.0 111.76 -177.881 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 44' ' ' ALA . . . . . 0.593 ' N ' HG13 ' B' ' 43' ' ' ILE . . . -81.47 -11.0 59.37 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.193 0.521 . . . . 0.0 110.912 -176.069 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -89.86 -49.57 6.54 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.097 -178.603 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 56.2 mt -67.26 -36.11 75.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.556 -179.736 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 47' ' ' ALA . . . . . 0.639 ' HB1' HD13 ' A' ' 96' ' ' ILE . . . -64.84 -15.05 61.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.496 -178.678 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 25.4 t -108.98 -5.8 15.94 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.174 -177.356 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -126.78 -31.08 0.78 Allowed Glycine 0 CA--C 1.518 0.276 0 C-N-CA 120.274 -0.965 . . . . 0.0 113.444 -176.283 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 80.72 -78.27 1.9 Allowed Glycine 0 N--CA 1.446 -0.677 0 N-CA-C 111.307 -0.717 . . . . 0.0 111.307 -179.343 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -121.24 -19.09 7.19 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-O 121.245 0.545 . . . . 0.0 110.455 179.543 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 4.6 m -70.79 -18.86 62.74 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.87 -176.62 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -90.64 -16.15 29.16 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.971 -176.493 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 54' ' ' LEU . . . . . 0.45 HD11 HG11 ' A' ' 88' ' ' VAL . 55.5 mt -53.75 -58.09 14.68 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.984 -175.052 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 55' ' ' PRO . . . . . 0.432 ' HD2' ' N ' ' B' ' 54' ' ' LEU . 18.7 Cg_endo -60.59 -25.96 81.87 Favored 'Trans proline' 0 C--N 1.351 0.703 0 C-N-CA 122.095 1.863 . . . . 0.0 112.439 -176.903 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 18.6 m -87.1 -34.07 19.25 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.145 0.498 . . . . 0.0 111.107 -177.537 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 73.1 t -82.18 -41.08 17.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.43 -175.701 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 58' ' ' ILE . . . . . 0.537 HG12 HD22 ' B' ' 83' ' ' LEU . 85.4 mt -55.91 -40.5 62.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-O 121.1 0.476 . . . . 0.0 110.303 175.936 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 8.0 t -64.54 -43.15 94.89 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.245 -178.44 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -63.88 -47.6 80.02 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.596 -0.729 . . . . 0.0 111.482 -179.501 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 44.9 mt -67.27 -47.05 82.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.108 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 62' ' ' TYR . . . . . 0.496 ' O ' HG23 ' B' ' 66' ' ' VAL . 44.5 t80 -55.66 -52.28 64.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.567 -177.522 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 22.6 t -60.17 -33.9 72.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.017 0.437 . . . . 0.0 110.335 179.144 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -67.78 -38.81 89.88 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.971 -0.633 . . . . 0.0 112.14 179.732 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 65' ' ' VAL . . . . . 0.672 HG12 HG11 ' B' ' 70' ' ' VAL . 69.2 t -73.72 -41.67 54.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-O 120.958 0.409 . . . . 0.0 111.001 178.63 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 66' ' ' VAL . . . . . 0.496 HG23 ' O ' ' B' ' 62' ' ' TYR . 93.4 t -61.8 -35.79 69.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.99 -178.893 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.28 -12.18 59.44 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.727 177.197 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 68' ' ' SER . . . . . 0.456 ' HB3' ' O ' ' B' ' 65' ' ' VAL . 43.8 t -83.62 -8.98 59.19 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.856 -179.783 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 88.67 30.45 15.46 Favored Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.582 -0.818 . . . . 0.0 112.338 179.272 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 70' ' ' VAL . . . . . 0.672 HG11 HG12 ' B' ' 65' ' ' VAL . 13.3 p -82.1 161.5 3.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 N-CA-C 109.998 -0.371 . . . . 0.0 109.998 179.099 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 36.4 t -68.29 154.16 42.31 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 175.611 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 5.7 p -57.11 -63.57 1.17 Allowed 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.421 0.526 . . . . 0.0 112.421 -172.855 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -72.13 -21.93 61.4 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.082 0.468 . . . . 0.0 110.514 -176.739 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 74' ' ' GLU . . . . . 0.421 ' HA ' ' CE1' ' B' ' 23' ' ' TYR . 42.5 tt0 -72.0 -30.19 64.98 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.378 178.878 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.97 -33.59 72.14 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.135 178.879 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 76' ' ' LEU . . . . . 0.441 HD23 ' HB3' ' B' ' 118' ' ' TYR . 2.0 tm? -58.06 -52.57 64.99 Favored 'General case' 0 C--N 1.332 -0.154 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 179.062 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 77' ' ' ILE . . . . . 0.699 ' O ' ' HG ' ' B' ' 81' ' ' LEU . 37.8 mm -60.94 -55.06 27.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.432 -0.803 . . . . 0.0 110.734 -178.833 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 78' ' ' GLN . . . . . 0.748 ' HB2' ' HB1' ' B' ' 26' ' ' ALA . 37.2 tp60 -54.06 -48.16 70.87 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.447 -179.357 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.05 -38.88 89.45 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.184 -178.861 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 80' ' ' LEU . . . . . 0.566 ' O ' HD23 ' B' ' 84' ' ' LEU . 5.3 mt -68.87 -42.83 76.49 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.908 -0.317 . . . . 0.0 111.198 179.843 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 81' ' ' LEU . . . . . 0.699 ' HG ' ' O ' ' B' ' 77' ' ' ILE . 59.5 mt -60.87 -35.03 75.54 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.13 0.49 . . . . 0.0 110.487 -179.619 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -66.96 -41.37 87.02 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.83 173.443 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 83' ' ' LEU . . . . . 0.537 ' O ' ' HG ' ' B' ' 87' ' ' LEU . 49.2 tp -64.35 -42.03 96.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.0 0.429 . . . . 0.0 110.463 178.368 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 84' ' ' LEU . . . . . 0.697 HD21 HD21 ' A' ' 84' ' ' LEU . 4.3 mm? -63.01 -12.4 25.7 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.46 -179.781 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 85' ' ' SER . . . . . 0.407 ' OG ' HD13 ' A' ' 108' ' ' LEU . 39.2 m -95.15 -34.66 12.18 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.802 0.334 . . . . 0.0 110.678 179.595 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 86' ' ' ALA . . . . . 0.442 ' HB2' HG13 ' B' ' 39' ' ' VAL . . . -66.5 -43.55 85.0 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.239 0.542 . . . . 0.0 110.856 -176.264 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 87' ' ' LEU . . . . . 0.537 ' HG ' ' O ' ' B' ' 83' ' ' LEU . 1.2 pp -82.34 -17.45 45.65 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.553 -0.749 . . . . 0.0 112.838 -172.108 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 88' ' ' VAL . . . . . 0.455 HG13 HD12 ' B' ' 87' ' ' LEU . 16.9 m -91.58 -27.35 4.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 C-N-CA 120.213 -0.595 . . . . 0.0 110.874 177.218 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 89' ' ' HIS . . . . . . . . . . . . . 61.9 t60 -64.71 -37.69 88.45 Favored 'General case' 0 N--CA 1.455 -0.215 0 CA-C-O 120.855 0.36 . . . . 0.0 110.032 178.174 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 90' ' ' VAL . . . . . 0.51 ' HA ' HG11 ' A' ' 99' ' ' VAL . 31.7 m -65.2 -26.19 39.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.418 -175.844 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 91' ' ' LEU . . . . . 0.625 ' HA ' ' HB3' ' B' ' 94' ' ' ALA . 3.4 mm? -65.6 -21.52 66.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.194 -179.616 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 22.3 t -64.86 -25.99 68.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.967 0.413 . . . . 0.0 110.529 -179.658 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 93' ' ' SER . . . . . 0.46 ' HB3' HG12 ' A' ' 99' ' ' VAL . 22.6 t -120.86 13.4 11.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.376 0.608 . . . . 0.0 110.05 178.576 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 94' ' ' ALA . . . . . 0.625 ' HB3' ' HA ' ' B' ' 91' ' ' LEU . . . -110.28 92.64 4.13 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.243 178.752 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 21.5 t -75.93 91.46 3.03 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.41 179.244 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 96' ' ' ILE . . . . . 0.692 HD13 ' HB1' ' A' ' 47' ' ' ALA . 20.5 tt -63.98 146.18 13.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.254 -0.885 . . . . 0.0 111.64 -177.258 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 97' ' ' GLY . . . . . . . . . . . . . . . -92.07 -110.4 1.78 Allowed Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 120.925 -0.655 . . . . 0.0 112.296 179.317 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 98' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -115.2 108.55 16.75 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.689 0.28 . . . . 0.0 111.035 -178.408 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 99' ' ' VAL . . . . . 0.521 ' CG1' HD11 ' B' ' 96' ' ' ILE . 2.7 m -104.03 128.62 57.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 120.908 0.385 . . . . 0.0 110.631 174.485 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 100' ' ' SER . . . . . . . . . . . . . 70.9 m -105.99 147.6 28.66 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.523 -179.779 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 101' ' ' SER . . . . . 0.4 ' HB3' ' HB2' ' A' ' 40' ' ' SER . 36.9 m -76.6 56.5 1.14 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.11 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 9.1 p -146.17 135.97 17.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 116.074 -0.512 . . . . 0.0 109.919 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . 92.46 -1.34 72.37 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 121.05 -0.595 . . . . 0.0 112.128 179.048 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 104' ' ' VAL . . . . . . . . . . . . . 29.1 t -63.46 -31.8 54.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.576 0.227 . . . . 0.0 110.566 179.527 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -49.44 -45.22 46.26 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.332 -179.117 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 54.1 m -70.21 -23.73 62.99 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.606 -178.342 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 13.2 m -72.49 -32.0 65.82 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.201 0.524 . . . . 0.0 109.616 177.846 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 108' ' ' LEU . . . . . 0.534 ' O ' ' HG3' ' B' ' 112' ' ' GLN . 4.3 mm? -63.87 -27.67 69.32 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.512 175.637 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 109' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -72.09 -39.32 69.02 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.321 -178.036 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 110' ' ' VAL . . . . . . . . . . . . . 11.7 p -80.66 -31.57 12.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 C-N-CA 120.901 -0.32 . . . . 0.0 111.373 -174.094 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 111' ' ' VAL . . . . . 0.504 HG12 ' O ' ' B' ' 108' ' ' LEU . 8.5 p -62.47 -31.24 51.21 Favored 'Isoleucine or valine' 0 C--O 1.235 0.293 0 CA-C-O 121.239 0.542 . . . . 0.0 110.258 -179.783 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 112' ' ' GLN . . . . . 0.534 ' HG3' ' O ' ' B' ' 108' ' ' LEU . 27.8 mt-30 -62.8 -30.59 71.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.434 -0.803 . . . . 0.0 111.142 -178.884 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 113' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -80.96 -32.75 34.31 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.383 -175.88 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 9.0 m -75.16 -40.15 59.8 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.192 -0.913 . . . . 0.0 112.125 -172.594 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 115' ' ' VAL . . . . . . . . . . . . . 8.1 p -116.01 -17.87 7.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-O 121.013 0.435 . . . . 0.0 111.592 -174.66 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 116' ' ' GLY . . . . . . . . . . . . . . . -60.91 -24.73 63.07 Favored Glycine 0 C--O 1.228 -0.253 0 C-N-CA 121.182 -0.533 . . . . 0.0 113.277 -177.635 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.84 9.12 28.7 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.816 0.341 . . . . 0.0 111.057 -179.493 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 118' ' ' TYR . . . . . 0.441 ' HB3' HD23 ' B' ' 76' ' ' LEU . 96.9 m-85 -117.31 -27.08 6.52 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.116 0.484 . . . . 0.0 109.93 177.779 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 119' ' ' VAL . . . . . 0.508 ' O ' ' HB3' ' A' ' 22' ' ' SER . 34.6 m -87.05 1.25 6.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.026 172.685 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.019 0 CA-C-N 115.086 -0.961 . . . . 0.0 110.953 177.25 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.415 ' HB3' ' O ' ' B' ' 119' ' ' VAL . 25.1 m . . . . . 0 N--CA 1.449 -0.492 0 CA-C-O 120.629 0.252 . . . . 0.0 111.426 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.427 ' OH ' ' HB3' ' A' ' 73' ' ' ASN . 0.3 OUTLIER -152.03 122.19 7.17 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 174.943 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -76.27 -22.64 54.85 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-O 121.274 0.559 . . . . 0.0 110.649 176.472 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -67.3 -27.45 73.51 Favored Glycine 0 N--CA 1.449 -0.453 0 CA-C-N 115.893 -0.594 . . . . 0.0 112.176 -178.655 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -74.88 -0.17 17.62 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.333 0.587 . . . . 0.0 109.991 177.427 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.516 HG22 ' CD1' ' A' ' 81' ' ' LEU . 3.2 t -109.31 -45.32 6.59 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.645 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.439 178.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 25.1 m120 -64.05 -34.29 77.69 Favored 'General case' 0 N--CA 1.465 0.285 0 C-N-CA 120.718 -0.393 . . . . 0.0 110.609 -178.835 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 30.1 ttp180 -63.22 -12.22 26.97 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.74 -179.277 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.662 ' HB3' HD12 ' B' ' 108' ' ' LEU . 85.3 mt -69.64 -26.02 64.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.429 -179.768 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 62.0 p -75.92 -7.02 53.58 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.144 0.497 . . . . 0.0 111.143 -176.567 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 39.1 t -81.88 166.89 19.53 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.017 179.223 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.27 -14.44 49.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.185 179.124 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -55.92 -63.08 1.29 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.869 178.872 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.453 ' O ' HG23 ' A' ' 39' ' ' VAL . . . -61.28 -51.69 67.84 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.615 -0.721 . . . . 0.0 111.46 -177.757 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.59 -13.32 20.89 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.949 0.404 . . . . 0.0 111.861 -177.289 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 34.3 t -89.8 -19.95 24.08 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.464 -0.334 . . . . 0.0 111.559 175.572 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.591 ' HD2' ' OE1' ' A' ' 82' ' ' GLU . 55.3 mtt180 -104.21 -54.14 2.6 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.551 -0.536 . . . . 0.0 109.551 -177.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.482 HG21 HD11 ' B' ' 108' ' ' LEU . 61.9 t -51.23 -43.51 28.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 114.834 -1.075 . . . . 0.0 111.704 -178.732 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.426 ' HB3' ' HB3' ' B' ' 101' ' ' SER . 2.8 m -72.53 -8.04 53.1 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.58 -175.841 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 28.4 t -95.0 -12.97 25.71 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.884 0.85 . . . . 0.0 109.17 174.807 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ASN . . . . . 0.463 ' HB3' HG11 ' A' ' 57' ' ' VAL . 12.2 m120 -98.96 -26.55 14.22 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.033 -0.985 . . . . 0.0 110.162 -174.31 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.602 HG13 ' N ' ' A' ' 44' ' ' ALA . 8.9 pt -55.38 -41.58 62.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.309 -0.859 . . . . 0.0 111.285 179.272 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.602 ' N ' HG13 ' A' ' 43' ' ' ILE . . . -80.43 -3.18 48.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.058 0.456 . . . . 0.0 110.841 -176.384 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -100.95 -52.43 3.29 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.394 178.855 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.467 ' HA ' ' CB ' ' A' ' 53' ' ' ALA . 45.1 mt -64.47 -34.09 67.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.712 -178.797 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.562 ' HB1' HD13 ' B' ' 96' ' ' ILE . . . -63.78 -17.91 63.54 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.733 -179.345 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 32.7 t -98.88 -29.08 13.15 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.192 -176.562 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -105.78 -27.6 5.66 Favored Glycine 0 CA--C 1.518 0.241 0 C-N-CA 120.4 -0.905 . . . . 0.0 113.155 -176.768 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 75.02 -78.84 1.04 Allowed Glycine 0 N--CA 1.447 -0.622 0 N-CA-C 111.315 -0.714 . . . . 0.0 111.315 -177.7 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -110.59 -29.19 8.14 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-O 121.358 0.599 . . . . 0.0 110.226 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 13.9 m -72.21 -11.71 60.85 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.788 -177.6 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.467 ' CB ' ' HA ' ' A' ' 46' ' ' ILE . . . -94.47 -13.72 25.89 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.776 -178.761 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.423 HD11 HG11 ' B' ' 88' ' ' VAL . 49.7 mt -55.64 -57.82 19.04 Favored Pre-proline 0 CA--C 1.534 0.36 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.696 -178.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.423 ' HD3' ' HB2' ' A' ' 54' ' ' LEU . 36.9 Cg_endo -66.45 -24.25 49.7 Favored 'Trans proline' 0 C--N 1.352 0.749 0 C-N-CA 121.884 1.723 . . . . 0.0 112.342 -179.301 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.9 m -77.74 -31.29 52.04 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.071 0.462 . . . . 0.0 110.74 -179.659 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.463 HG11 ' HB3' ' A' ' 42' ' ' ASN . 68.9 t -96.73 -43.16 12.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.609 -174.105 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.433 HG12 ' HG ' ' A' ' 83' ' ' LEU . 47.2 mt -56.89 -42.08 77.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.699 0.285 . . . . 0.0 110.862 -179.808 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 70.4 m -70.61 -15.24 62.73 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.051 0.453 . . . . 0.0 111.103 -178.403 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 74.7 m-20 -82.54 -49.36 9.97 Favored 'General case' 0 CA--C 1.516 -0.333 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.528 173.542 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.472 ' O ' HG23 ' A' ' 65' ' ' VAL . 34.2 mt -67.47 -46.79 82.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.907 -178.674 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.518 ' O ' HG23 ' A' ' 66' ' ' VAL . 49.4 t80 -54.9 -56.31 20.96 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.686 -177.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 26.0 t -61.47 -29.8 70.2 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.501 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -65.12 -44.68 93.74 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.871 -0.681 . . . . 0.0 111.638 178.195 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.735 HG12 HG11 ' A' ' 70' ' ' VAL . 24.4 t -71.76 -40.2 69.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-O 120.911 0.386 . . . . 0.0 110.548 178.865 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.518 HG23 ' O ' ' A' ' 62' ' ' TYR . 89.6 t -63.96 -31.7 54.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.702 178.673 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -68.32 -12.92 61.82 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.433 -0.348 . . . . 0.0 111.301 176.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 21.9 t -81.87 -14.88 55.61 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.034 0.445 . . . . 0.0 109.858 176.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 90.57 36.36 6.95 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.943 -0.646 . . . . 0.0 112.355 179.125 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.735 HG11 HG12 ' A' ' 65' ' ' VAL . 13.9 p -94.05 163.84 2.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 C-N-CA 122.14 0.176 . . . . 0.0 110.736 -179.521 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.433 ' N ' HG22 ' A' ' 70' ' ' VAL . 40.0 t -65.84 146.54 54.62 Favored 'General case' 0 C--O 1.233 0.21 0 N-CA-C 110.205 -0.294 . . . . 0.0 110.205 175.605 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 13.7 m -55.08 -46.94 75.49 Favored 'General case' 0 CA--C 1.534 0.361 0 N-CA-C 112.433 0.531 . . . . 0.0 112.433 -174.57 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' ASN . . . . . 0.427 ' HB3' ' OH ' ' A' ' 23' ' ' TYR . 0.2 OUTLIER -76.35 -33.76 58.96 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.747 -0.381 . . . . 0.0 110.74 -174.253 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -69.85 -32.62 71.11 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 178.289 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.563 ' HB2' HG13 ' A' ' 70' ' ' VAL . . . -62.55 -38.84 91.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.671 176.255 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.514 HD23 ' HB3' ' A' ' 118' ' ' TYR . 2.8 tm? -56.45 -53.76 53.63 Favored 'General case' 0 CA--C 1.518 -0.281 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.758 177.729 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.66 ' O ' ' HG ' ' A' ' 81' ' ' LEU . 40.5 mm -61.11 -54.57 33.53 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.013 -178.722 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 33.6 tp60 -52.77 -50.08 64.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.012 179.374 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.64 -40.17 94.98 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.12 -177.892 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.603 ' O ' HD23 ' A' ' 84' ' ' LEU . 2.3 mm? -63.42 -40.0 96.0 Favored 'General case' 0 C--O 1.22 -0.47 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.977 178.024 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.686 HD22 HG11 ' B' ' 115' ' ' VAL . 25.2 mt -73.32 -33.39 65.11 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 120.816 0.341 . . . . 0.0 111.055 -176.95 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.591 ' OE1' ' HD2' ' A' ' 38' ' ' ARG . 43.3 mt-10 -68.43 -26.67 65.64 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.493 0.664 . . . . 0.0 110.508 171.115 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.433 ' HG ' HG12 ' A' ' 58' ' ' ILE . 3.4 tm? -76.87 -41.83 42.37 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.649 177.279 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.603 HD23 ' O ' ' A' ' 80' ' ' LEU . 4.0 mm? -70.72 -7.14 42.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.767 -0.651 . . . . 0.0 112.194 -177.648 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -99.62 -30.89 11.86 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 120.989 0.423 . . . . 0.0 110.649 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.506 ' O ' HG13 ' A' ' 90' ' ' VAL . . . -65.26 -46.78 79.15 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.779 -179.049 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.481 ' O ' HG22 ' A' ' 90' ' ' VAL . 1.2 pp -78.52 -13.79 59.66 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 113.275 0.843 . . . . 0.0 113.275 -172.196 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.452 HG11 HD11 ' B' ' 54' ' ' LEU . 15.7 m -94.91 -21.59 5.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 121.926 -0.484 . . . . 0.0 110.676 176.561 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' HIS . . . . . 0.431 ' CD2' HG22 ' B' ' 104' ' ' VAL . 65.1 t60 -73.8 -29.96 62.47 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 176.388 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.589 ' HA ' HG11 ' B' ' 99' ' ' VAL . 15.1 m -65.76 -27.79 42.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 C-N-CA 120.594 -0.442 . . . . 0.0 111.324 -177.197 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.621 ' HA ' ' HB3' ' A' ' 94' ' ' ALA . 3.7 mm? -65.99 -19.71 65.95 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.203 179.738 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 32.9 t -57.33 -30.06 64.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.284 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 8.9 t -131.96 16.24 4.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.445 0.641 . . . . 0.0 110.126 -179.805 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.621 ' HB3' ' HA ' ' A' ' 91' ' ' LEU . . . -101.38 95.56 6.58 Favored 'General case' 0 N--CA 1.446 -0.627 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.018 176.48 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 26.1 t -71.56 95.68 1.44 Allowed 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.903 -0.589 . . . . 0.0 109.764 179.055 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.799 HD13 ' HB1' ' B' ' 47' ' ' ALA . 15.1 tt -70.56 144.33 13.75 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.506 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.146 179.051 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -98.35 -90.69 1.96 Allowed Glycine 0 N--CA 1.448 -0.512 0 C-N-CA 120.921 -0.657 . . . . 0.0 112.673 -177.553 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -139.92 101.3 4.14 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.814 0.34 . . . . 0.0 111.127 -176.748 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.48 ' CG1' HD11 ' A' ' 96' ' ' ILE . 15.4 m -93.53 142.4 13.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.75 178.253 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 15.4 m -111.65 147.52 35.33 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.264 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 2.8 p -78.8 -0.87 32.21 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.937 0.399 . . . . 0.0 111.691 -178.689 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 44.9 t -97.61 114.38 34.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.473 -177.164 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 121.1 -6.41 10.96 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 121.01 -0.614 . . . . 0.0 112.477 179.081 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 42.9 t -61.82 -30.5 48.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 120.461 0.172 . . . . 0.0 110.901 179.58 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -48.72 -41.03 30.58 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.204 179.524 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 40.9 m -73.83 -27.37 61.06 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.849 -177.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 21.9 m -71.65 -30.96 66.31 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.984 0.421 . . . . 0.0 110.326 -178.062 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.538 ' O ' HG12 ' A' ' 111' ' ' VAL . 4.5 mm? -60.48 -29.87 69.34 Favored 'General case' 0 C--O 1.224 -0.249 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.688 176.397 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 16.2 m-80 -73.5 -19.86 60.82 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.336 -179.494 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 28.3 t -89.83 -36.25 8.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 120.938 0.399 . . . . 0.0 110.865 -176.891 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.538 HG12 ' O ' ' A' ' 108' ' ' LEU . 11.1 p -63.26 -26.99 42.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 121.43 0.633 . . . . 0.0 110.49 -179.785 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 112' ' ' GLN . . . . . 0.51 ' HG2' HG12 ' B' ' 27' ' ' VAL . 22.7 mt-30 -69.13 -21.72 64.0 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.972 179.783 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -81.53 -39.72 24.24 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.807 -176.332 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 114' ' ' SER . . . . . 0.416 ' HB2' HD12 ' A' ' 58' ' ' ILE . 10.0 p -78.93 -39.32 35.03 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.418 -0.81 . . . . 0.0 112.318 -169.067 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 12.7 p -114.73 -18.97 7.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-O 120.822 0.344 . . . . 0.0 111.812 -173.861 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -61.45 -26.0 65.82 Favored Glycine 0 N--CA 1.453 -0.179 0 C-N-CA 120.874 -0.679 . . . . 0.0 112.648 -177.318 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -86.4 9.28 18.54 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.662 0.267 . . . . 0.0 111.43 -178.441 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 118' ' ' TYR . . . . . 0.514 ' HB3' HD23 ' A' ' 76' ' ' LEU . 75.7 m-85 -120.67 -31.3 4.29 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.746 0.308 . . . . 0.0 111.094 176.631 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 28.9 m . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 0.0 112.079 -178.755 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 14.6 m . . . . . 0 N--CA 1.443 -0.815 0 CA-C-O 120.608 0.242 . . . . 0.0 111.432 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 23' ' ' TYR . . . . . 0.578 ' CE1' ' HA ' ' B' ' 74' ' ' GLU . 0.2 OUTLIER -150.89 128.95 11.8 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 171.032 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -76.82 -32.82 57.86 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 120.799 0.333 . . . . 0.0 111.148 179.7 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.32 -30.48 67.84 Favored Glycine 0 N--CA 1.453 -0.217 0 C-N-CA 121.386 -0.435 . . . . 0.0 112.809 -179.458 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -72.17 -15.32 61.96 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.585 0.707 . . . . 0.0 110.013 179.162 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 27' ' ' VAL . . . . . 0.51 HG12 ' HG2' ' A' ' 112' ' ' GLN . 3.9 t -94.19 -40.01 11.05 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 CA-C-N 115.571 -0.741 . . . . 0.0 110.626 -177.759 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 28.3 m120 -64.27 -28.47 69.75 Favored 'General case' 0 N--CA 1.465 0.3 0 N-CA-C 111.846 0.313 . . . . 0.0 111.846 -176.8 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 14.2 ptt180 -89.0 14.78 9.79 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.994 0.426 . . . . 0.0 111.145 -175.761 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 30' ' ' LEU . . . . . 0.651 HD11 ' HB3' ' B' ' 81' ' ' LEU . 96.1 mt -80.07 -26.7 39.52 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.59 177.619 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 56.0 p -71.99 -6.36 41.63 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.369 0.604 . . . . 0.0 110.536 179.793 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 67.9 m -76.96 153.01 35.01 Favored 'General case' 0 N--CA 1.441 -0.919 0 CA-C-N 115.569 -0.741 . . . . 0.0 111.052 179.84 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.09 -20.43 53.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.28 179.419 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -51.6 -58.29 6.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.446 176.608 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 35' ' ' ALA . . . . . 0.57 ' O ' HG23 ' B' ' 39' ' ' VAL . . . -63.88 -52.19 61.09 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.436 -0.802 . . . . 0.0 111.096 -178.521 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -57.79 -22.26 46.33 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 112.014 0.376 . . . . 0.0 112.014 -175.786 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 24.1 t -86.48 -12.41 49.02 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 111.752 0.278 . . . . 0.0 111.752 179.138 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 38' ' ' ARG . . . . . 0.56 ' HD2' ' OE1' ' B' ' 82' ' ' GLU . 59.9 mtt180 -104.21 -52.61 2.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.592 0.711 . . . . 0.0 109.112 178.689 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 39' ' ' VAL . . . . . 0.57 HG23 ' O ' ' B' ' 35' ' ' ALA . 39.6 t -55.27 -37.89 45.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 114.139 -1.391 . . . . 0.0 111.814 -176.421 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 40' ' ' SER . . . . . 0.425 ' O ' HG12 ' B' ' 43' ' ' ILE . 63.9 p -71.75 -11.58 60.89 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.917 0.389 . . . . 0.0 111.773 -177.834 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 12.8 t -94.67 -14.71 24.6 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.595 0.712 . . . . 0.0 109.335 178.012 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 11.3 m120 -93.44 -25.58 17.58 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.186 -0.915 . . . . 0.0 109.926 -174.883 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 43' ' ' ILE . . . . . 0.58 HG13 ' N ' ' B' ' 44' ' ' ALA . 4.9 pt -56.99 -37.34 54.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 114.978 -1.01 . . . . 0.0 111.108 -179.697 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 44' ' ' ALA . . . . . 0.58 ' N ' HG13 ' B' ' 43' ' ' ILE . . . -82.19 -2.49 52.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.614 -175.759 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -102.13 -51.12 3.46 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.962 0.411 . . . . 0.0 110.636 178.794 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 46' ' ' ILE . . . . . 0.471 ' HA ' ' CB ' ' B' ' 53' ' ' ALA . 38.1 mt -66.27 -32.68 59.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.615 -178.258 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 47' ' ' ALA . . . . . 0.799 ' HB1' HD13 ' A' ' 96' ' ' ILE . . . -60.22 -26.48 66.44 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.224 179.322 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 73.8 m -98.39 -42.27 7.43 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.923 -176.606 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -87.11 -22.12 46.53 Favored Glycine 0 CA--C 1.518 0.239 0 C-N-CA 120.568 -0.825 . . . . 0.0 113.198 -175.576 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 72.88 -78.2 0.77 Allowed Glycine 0 N--CA 1.448 -0.508 0 N-CA-C 111.968 -0.453 . . . . 0.0 111.968 179.839 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -117.28 -30.07 5.7 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-O 121.053 0.454 . . . . 0.0 110.592 -178.788 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 39.7 m -73.57 -7.33 51.45 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.315 0.579 . . . . 0.0 110.428 -179.342 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 53' ' ' ALA . . . . . 0.471 ' CB ' ' HA ' ' B' ' 46' ' ' ILE . . . -84.12 -25.25 29.84 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.381 179.049 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 54' ' ' LEU . . . . . 0.501 ' O ' HG13 ' B' ' 58' ' ' ILE . 52.3 mt -52.44 -58.52 11.42 Favored Pre-proline 0 CA--C 1.535 0.395 0 CA-C-N 115.882 -0.599 . . . . 0.0 112.223 -176.504 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 55' ' ' PRO . . . . . 0.428 ' HD3' ' HB2' ' B' ' 54' ' ' LEU . 36.2 Cg_endo -66.24 -13.58 40.5 Favored 'Trans proline' 0 C--N 1.352 0.714 0 C-N-CA 121.988 1.792 . . . . 0.0 112.573 -176.766 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 16.1 m -96.02 -18.25 20.36 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.798 -179.129 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 57' ' ' VAL . . . . . 0.402 HG23 ' O ' ' B' ' 53' ' ' ALA . 68.9 t -104.61 -40.52 6.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.36 -175.463 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 58' ' ' ILE . . . . . 0.603 HG12 HD22 ' B' ' 83' ' ' LEU . 43.6 mt -56.27 -43.81 77.79 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.227 0 CA-C-O 120.857 0.36 . . . . 0.0 110.822 -179.07 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 22.5 t -67.5 -29.03 68.34 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.681 -177.325 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 63.9 m-20 -69.14 -49.57 55.74 Favored 'General case' 0 CA--C 1.517 -0.313 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.727 178.343 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 33.8 mt -67.59 -43.76 86.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.803 179.37 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 62' ' ' TYR . . . . . 0.478 ' O ' HG23 ' B' ' 66' ' ' VAL . 39.5 t80 -54.4 -56.44 18.65 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.715 -178.679 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 14.1 t -61.46 -30.87 70.87 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.495 -179.111 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -62.5 -44.9 96.93 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 121.199 -0.524 . . . . 0.0 111.991 178.751 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 65' ' ' VAL . . . . . 0.626 HG11 ' HG2' ' B' ' 78' ' ' GLN . 21.1 t -75.98 -39.76 37.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 120.834 0.35 . . . . 0.0 110.928 -179.345 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 66' ' ' VAL . . . . . 0.478 HG23 ' O ' ' B' ' 62' ' ' TYR . 84.5 t -58.4 -40.43 78.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.923 0.392 . . . . 0.0 110.823 179.509 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -69.64 -11.18 60.64 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.651 179.557 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 15.3 t -84.05 -22.15 31.34 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.729 0.299 . . . . 0.0 110.47 -179.359 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 105.9 31.91 4.01 Favored Glycine 0 C--N 1.33 0.206 0 C-N-CA 120.636 -0.792 . . . . 0.0 112.595 -179.227 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 70' ' ' VAL . . . . . 0.519 HG11 HG12 ' B' ' 65' ' ' VAL . 11.6 p -85.46 160.36 3.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 178.139 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 46.9 t -64.89 142.84 58.3 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 174.04 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 3.7 m -51.39 -51.72 52.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 112.171 -174.436 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -80.14 -23.81 40.89 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.93 0.395 . . . . 0.0 110.555 -174.578 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 74' ' ' GLU . . . . . 0.578 ' HA ' ' CE1' ' B' ' 23' ' ' TYR . 38.4 tt0 -72.79 -27.17 61.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.222 179.034 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.63 -36.68 81.47 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.387 179.527 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -58.9 -48.98 79.51 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.795 0.331 . . . . 0.0 110.266 179.338 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 77' ' ' ILE . . . . . 0.727 ' O ' ' HG ' ' B' ' 81' ' ' LEU . 32.9 mm -63.06 -55.42 23.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.872 -179.397 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 78' ' ' GLN . . . . . 0.626 ' HG2' HG11 ' B' ' 65' ' ' VAL . 28.5 tp60 -53.88 -50.11 67.05 Favored 'General case' 0 C--N 1.33 -0.267 0 O-C-N 123.326 0.391 . . . . 0.0 111.313 179.536 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.28 -36.78 83.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.135 -178.226 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 80' ' ' LEU . . . . . 0.591 ' O ' HD23 ' B' ' 84' ' ' LEU . 6.8 mt -69.75 -42.41 73.93 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.864 -0.334 . . . . 0.0 110.831 177.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 81' ' ' LEU . . . . . 0.727 ' HG ' ' O ' ' B' ' 77' ' ' ILE . 61.0 mt -57.29 -43.21 82.97 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.19 0.519 . . . . 0.0 110.433 178.647 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 82' ' ' GLU . . . . . 0.56 ' OE1' ' HD2' ' B' ' 38' ' ' ARG . 43.4 mt-10 -65.77 -38.25 88.54 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.717 176.649 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 83' ' ' LEU . . . . . 0.603 HD22 HG12 ' B' ' 58' ' ' ILE . 38.9 tp -64.21 -43.13 95.97 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.184 0.516 . . . . 0.0 110.573 178.587 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 84' ' ' LEU . . . . . 0.591 HD23 ' O ' ' B' ' 80' ' ' LEU . 4.2 mm? -65.78 -8.02 19.15 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.355 -0.839 . . . . 0.0 111.707 -178.211 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 85' ' ' SER . . . . . 0.429 ' OG ' HD13 ' A' ' 108' ' ' LEU . 20.5 m -97.91 -27.36 14.31 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 120.819 0.343 . . . . 0.0 110.871 179.136 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 86' ' ' ALA . . . . . 0.443 ' HB2' HG13 ' B' ' 39' ' ' VAL . . . -74.71 -45.31 45.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.406 0.622 . . . . 0.0 110.669 -177.088 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 87' ' ' LEU . . . . . 0.48 HD12 ' N ' ' B' ' 88' ' ' VAL . 1.1 pp -78.15 -18.86 55.04 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.402 -0.817 . . . . 0.0 112.687 -172.634 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 88' ' ' VAL . . . . . 0.48 ' N ' HD12 ' B' ' 87' ' ' LEU . 17.0 m -89.62 -26.63 5.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 C-N-CA 120.383 -0.527 . . . . 0.0 110.73 177.586 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 89' ' ' HIS . . . . . . . . . . . . . 45.6 t60 -67.72 -35.43 78.77 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.051 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 90' ' ' VAL . . . . . 0.467 ' HA ' HG11 ' A' ' 99' ' ' VAL . 27.5 m -66.44 -26.01 36.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.591 -175.923 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 91' ' ' LEU . . . . . 0.631 ' HA ' ' HB3' ' B' ' 94' ' ' ALA . 3.3 mm? -66.28 -22.57 66.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.673 -0.239 . . . . 0.0 110.934 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 31.2 t -57.7 -31.78 66.72 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.412 179.295 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 10.4 t -123.51 19.84 9.58 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-O 121.593 0.711 . . . . 0.0 109.889 -179.602 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 94' ' ' ALA . . . . . 0.631 ' HB3' ' HA ' ' B' ' 91' ' ' LEU . . . -110.53 94.81 5.19 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.096 176.433 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 22.7 t -76.47 94.02 3.62 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.223 0.535 . . . . 0.0 109.868 -179.199 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 96' ' ' ILE . . . . . 0.562 HD13 ' HB1' ' A' ' 47' ' ' ALA . 12.8 tt -72.28 149.86 8.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.124 177.868 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 97' ' ' GLY . . . . . . . . . . . . . . . -84.53 -86.82 0.89 Allowed Glycine 0 N--CA 1.451 -0.339 0 N-CA-C 110.651 -0.979 . . . . 0.0 110.651 172.736 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 98' ' ' ASN . . . . . . . . . . . . . 57.7 t30 -153.3 149.87 28.34 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 108.814 -0.81 . . . . 0.0 108.814 169.766 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 99' ' ' VAL . . . . . 0.589 HG11 ' HA ' ' A' ' 90' ' ' VAL . 3.6 m -127.12 120.45 55.41 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.834 0 CA-C-O 121.168 0.508 . . . . 0.0 110.602 178.932 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 100' ' ' SER . . . . . . . . . . . . . 48.5 m -84.51 156.22 21.79 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.679 -0.692 . . . . 0.0 110.927 -177.934 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 101' ' ' SER . . . . . 0.426 ' HB3' ' HB3' ' A' ' 40' ' ' SER . 16.9 m -77.83 38.39 0.26 Allowed 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.686 -176.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 56.8 t -124.66 120.44 58.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.13 -176.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . 106.84 -9.84 40.6 Favored Glycine 0 N--CA 1.447 -0.575 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.559 178.443 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 104' ' ' VAL . . . . . 0.431 HG22 ' CD2' ' A' ' 89' ' ' HIS . 21.9 t -63.26 -31.99 54.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 120.631 0.253 . . . . 0.0 110.392 179.856 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -48.46 -45.15 36.24 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.54 179.745 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 12.8 m -74.73 -23.74 58.61 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.198 -0.91 . . . . 0.0 111.616 -177.775 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 25.1 m -75.57 -31.89 60.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.024 0.44 . . . . 0.0 109.944 -178.089 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 108' ' ' LEU . . . . . 0.662 HD12 ' HB3' ' A' ' 30' ' ' LEU . 3.9 mm? -57.34 -38.06 73.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.516 175.388 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 109' ' ' ASN . . . . . . . . . . . . . 20.0 m-80 -66.29 -24.32 66.53 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.199 -178.727 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 110' ' ' VAL . . . . . . . . . . . . . 29.0 t -81.79 -42.56 19.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.953 0.406 . . . . 0.0 110.587 -178.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 111' ' ' VAL . . . . . 0.6 HG12 ' O ' ' B' ' 108' ' ' LEU . 9.8 p -62.71 -28.37 44.76 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.269 0 CA-C-O 121.296 0.57 . . . . 0.0 110.387 -177.87 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 112' ' ' GLN . . . . . 0.565 ' HG3' ' O ' ' B' ' 108' ' ' LEU . 26.2 mt-30 -66.4 -29.39 69.54 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.991 179.883 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 113' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -73.25 -34.89 66.1 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.479 -175.07 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 5.9 m -82.63 -35.89 26.57 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.412 -0.813 . . . . 0.0 112.184 -170.358 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 115' ' ' VAL . . . . . 0.686 HG11 HD22 ' A' ' 81' ' ' LEU . 12.5 p -108.66 -23.22 4.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 C-N-CA 120.917 -0.313 . . . . 0.0 111.783 -172.138 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 116' ' ' GLY . . . . . . . . . . . . . . . -59.2 -25.56 60.23 Favored Glycine 0 C--N 1.332 0.361 0 C-N-CA 121.383 -0.437 . . . . 0.0 113.163 -175.528 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -85.16 2.25 44.44 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 112.041 0.385 . . . . 0.0 112.041 -177.784 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 118' ' ' TYR . . . . . . . . . . . . . 71.6 m-85 -117.55 -30.52 5.48 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.721 0.296 . . . . 0.0 110.989 177.23 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 119' ' ' VAL . . . . . 0.42 HG21 HG21 ' A' ' 27' ' ' VAL . 29.6 m -85.77 -2.3 7.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.318 179.605 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.255 1.467 0 N-CA-C 109.983 -1.247 . . . . 0.0 109.983 177.029 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.846 0 N-CA-C 111.867 -0.493 . . . . 0.0 111.867 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 35.2 p -149.8 -31.65 0.21 Allowed 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.82 0.343 . . . . 0.0 111.277 -178.286 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . 86.46 -53.88 4.61 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.851 -0.69 . . . . 0.0 111.814 -177.272 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' -2' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -67.64 97.26 0.6 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.955 0.407 . . . . 0.0 110.619 177.613 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 15.9 m -100.27 135.77 41.19 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 176.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 38.8 t -125.84 -76.35 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 120.751 0.31 . . . . 0.0 110.867 -177.847 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 10.5 t -171.74 171.3 5.29 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 -176.743 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.5 p -161.35 147.95 14.54 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.734 0.302 . . . . 0.0 110.791 -178.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -93.92 175.16 35.03 Favored Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.686 -0.769 . . . . 0.0 111.87 178.61 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -78.36 64.26 3.53 Favored Glycine 0 N--CA 1.453 -0.184 0 C-N-CA 120.974 -0.632 . . . . 0.0 112.643 -179.232 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.467 ' HA ' HG22 ' A' ' 10' ' ' THR . 35.0 p90 -167.95 -179.02 3.99 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 179.234 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 78.67 -72.71 2.36 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.859 -0.686 . . . . 0.0 112.709 177.058 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.495 ' CE2' ' HB ' ' B' ' 2' ' ' THR . 64.6 m-85 -73.51 -29.45 62.5 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.379 0.609 . . . . 0.0 109.887 -179.763 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -170.37 132.37 2.48 Favored Glycine 0 N--CA 1.442 -0.937 0 CA-C-N 115.077 -0.965 . . . . 0.0 111.288 178.288 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.467 HG22 ' HA ' ' A' ' 6' ' ' TYR . 38.0 p -122.45 -70.33 0.78 Allowed 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.681 -0.488 . . . . 0.0 109.681 177.505 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 34.8 p -158.17 165.77 34.1 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.544 -0.753 . . . . 0.0 109.15 175.558 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.443 ' H ' ' C ' ' B' ' 120' ' ' GLY . . . 65.86 53.14 1.17 Allowed 'General case' 0 N--CA 1.463 0.205 0 O-C-N 123.677 0.61 . . . . 0.0 110.612 -176.372 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -128.64 177.92 6.69 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.299 -176.129 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -84.73 -48.27 9.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.003 179.416 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.582 ' HA3' ' H ' ' A' ' 25' ' ' GLY . . . 126.56 -163.57 20.43 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.181 -1.009 . . . . 0.0 113.227 175.533 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 63.9 85.0 0.14 Allowed 'General case' 0 C--O 1.232 0.145 0 C-N-CA 123.244 0.617 . . . . 0.0 111.457 -179.785 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 57.96 53.91 41.66 Favored Glycine 0 CA--C 1.521 0.459 0 CA-C-N 115.558 -0.746 . . . . 0.0 113.094 -179.029 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.441 ' CG2' ' HA ' ' A' ' 23' ' ' TYR . 0.2 OUTLIER -93.27 -59.51 3.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 N-CA-C 111.869 0.322 . . . . 0.0 111.869 179.003 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -108.33 -174.16 2.45 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 110.086 -0.339 . . . . 0.0 110.086 -178.512 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -69.33 -46.71 66.43 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.127 -177.621 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.492 ' CA ' ' HA3' ' B' ' 21' ' ' GLY . . . -133.58 7.82 4.94 Favored Glycine 0 CA--C 1.506 -0.47 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.098 179.485 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.435 ' O ' HG23 ' A' ' 18' ' ' VAL . 18.8 m -117.55 127.75 54.28 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-O 120.893 0.377 . . . . 0.0 110.977 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.441 ' HA ' ' CG2' ' A' ' 18' ' ' VAL . 0.2 OUTLIER -147.15 125.78 12.53 Favored 'General case' 0 N--CA 1.447 -0.582 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.787 178.072 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.449 ' HB2' ' HA3' ' B' ' 120' ' ' GLY . . . -86.21 -16.84 36.46 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 111.99 0.367 . . . . 0.0 111.99 -175.881 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.582 ' H ' ' HA3' ' A' ' 15' ' ' GLY . . . -64.58 -30.6 78.35 Favored Glycine 0 CA--C 1.511 -0.17 0 C-N-CA 120.597 -0.811 . . . . 0.0 111.533 -178.299 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.572 ' HB1' ' HB2' ' A' ' 78' ' ' GLN . . . -67.89 -16.88 64.29 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 114.942 -0.629 . . . . 0.0 110.949 176.44 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.524 HG22 ' CD1' ' A' ' 81' ' ' LEU . 2.9 t -95.44 -41.66 11.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.868 -175.432 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 19.0 m120 -68.25 -20.06 64.77 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.278 -0.569 . . . . 0.0 110.526 -178.345 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 65.9 ttt180 -77.25 -5.62 50.02 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.095 179.68 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.572 HD11 ' HB3' ' A' ' 81' ' ' LEU . 72.9 mt -76.38 -27.71 56.48 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.211 -178.871 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 43.3 p -81.18 9.27 7.13 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.56 0.695 . . . . 0.0 110.207 178.558 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 44.2 t -97.46 152.75 18.66 Favored 'General case' 0 N--CA 1.444 -0.753 0 CA-C-N 115.012 -0.995 . . . . 0.0 109.227 177.527 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.32 -18.35 61.17 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.05 0.452 . . . . 0.0 111.381 -177.195 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.409 ' H ' ' HG3' ' A' ' 34' ' ' GLU . 28.7 mt-10 -54.3 -58.09 8.73 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.663 178.547 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.613 ' O ' HG23 ' A' ' 39' ' ' VAL . . . -59.95 -51.98 67.34 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.478 177.735 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -51.26 -34.03 30.89 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.971 -0.558 . . . . 0.0 111.925 -176.174 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 50.2 m -72.69 -24.62 61.04 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.96 -178.36 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.505 ' HD2' ' OE1' ' A' ' 82' ' ' GLU . 73.3 mtt180 -98.2 -45.12 6.32 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.799 0.809 . . . . 0.0 109.437 -176.483 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.613 HG23 ' O ' ' A' ' 35' ' ' ALA . 42.0 t -61.97 -43.47 97.61 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.851 0 CA-C-N 114.293 -1.321 . . . . 0.0 111.278 -176.477 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.473 ' O ' HG12 ' A' ' 43' ' ' ILE . 96.6 p -75.16 -11.26 60.04 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.012 0.434 . . . . 0.0 111.07 -178.167 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 35.8 t -87.5 -17.64 31.66 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.069 0.461 . . . . 0.0 110.082 -179.727 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 41.8 m-80 -114.43 -1.63 13.43 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.29 -174.14 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.473 HG12 ' O ' ' A' ' 40' ' ' SER . 4.2 pt -57.92 -41.31 79.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.931 176.526 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.467 ' N ' HG13 ' A' ' 43' ' ' ILE . . . -78.01 -11.79 59.93 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.993 -176.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -84.47 -53.1 5.66 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.226 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.423 HG21 ' HB3' ' A' ' 87' ' ' LEU . 50.2 mt -64.48 -33.78 65.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.34 179.517 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.784 ' HB1' HD13 ' B' ' 96' ' ' ILE . . . -62.84 -24.65 67.89 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.493 179.642 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 33.1 t -95.08 -42.66 8.49 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.263 -177.446 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -88.91 -22.73 37.8 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.488 -0.863 . . . . 0.0 113.205 -175.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 73.43 -77.14 0.91 Allowed Glycine 0 N--CA 1.449 -0.469 0 N-CA-C 111.522 -0.631 . . . . 0.0 111.522 -178.113 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -119.97 -20.28 7.55 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-O 121.258 0.552 . . . . 0.0 110.065 178.395 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 12.8 m -74.19 -11.23 60.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.767 -178.298 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.407 ' HB3' ' HA ' ' A' ' 46' ' ' ILE . . . -93.44 -15.65 25.38 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.777 -179.795 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.448 ' N ' ' HD2' ' A' ' 55' ' ' PRO . 54.1 mt -55.52 -57.11 22.66 Favored Pre-proline 0 CA--C 1.535 0.376 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.969 -176.768 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.448 ' HD2' ' N ' ' A' ' 54' ' ' LEU . 17.9 Cg_endo -61.42 -20.34 68.02 Favored 'Trans proline' 0 C--N 1.352 0.733 0 C-N-CA 122.253 1.969 . . . . 0.0 112.484 -177.262 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 15.1 m -89.28 -43.94 10.6 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.96 0.41 . . . . 0.0 110.781 179.628 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 76.7 t -76.58 -39.75 32.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.545 -172.792 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.457 HG12 ' HG ' ' A' ' 83' ' ' LEU . 57.3 mt -60.27 -36.54 69.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.098 176.362 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 37.8 t -68.87 -39.6 79.75 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 116.136 -0.484 . . . . 0.0 109.94 179.651 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -60.8 -47.69 85.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.655 178.64 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 63.0 mt -74.54 -45.98 43.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 115.659 -0.7 . . . . 0.0 111.752 -175.824 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.417 ' O ' HG23 ' A' ' 66' ' ' VAL . 61.7 t80 -54.54 -50.74 67.18 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.657 -0.247 . . . . 0.0 111.308 -177.392 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 32.9 t -60.56 -31.38 70.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.941 0.401 . . . . 0.0 110.456 179.69 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -69.04 -38.72 84.45 Favored Glycine 0 N--CA 1.448 -0.544 0 C-N-CA 120.757 -0.735 . . . . 0.0 111.587 -179.471 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.738 HG12 HG11 ' A' ' 70' ' ' VAL . 48.7 t -72.43 -46.0 57.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 120.892 0.377 . . . . 0.0 110.94 179.301 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.417 HG23 ' O ' ' A' ' 62' ' ' TYR . 59.0 t -62.24 -30.72 49.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.898 -178.76 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.01 -19.32 62.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.956 -0.565 . . . . 0.0 112.017 179.284 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 22.9 m -75.79 -21.67 57.15 Favored 'General case' 0 N--CA 1.445 -0.691 0 CA-C-O 120.936 0.398 . . . . 0.0 111.237 178.727 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 93.0 42.34 4.4 Favored Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 120.628 -0.796 . . . . 0.0 111.721 -175.756 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.738 HG11 HG12 ' A' ' 65' ' ' VAL . 9.8 p -100.02 157.9 3.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 179.065 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 42.0 t -57.81 140.59 51.36 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 110.309 -0.256 . . . . 0.0 110.309 176.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 4.4 m -53.46 -44.83 69.24 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.964 0.412 . . . . 0.0 111.845 -176.086 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -76.47 -32.93 58.67 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.717 -174.561 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -75.21 -30.28 60.56 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.045 0.45 . . . . 0.0 109.859 177.854 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.635 ' HB2' HG13 ' A' ' 70' ' ' VAL . . . -61.76 -39.7 92.53 Favored 'General case' 0 CA--C 1.519 -0.247 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.61 175.173 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.487 HD23 ' HB3' ' A' ' 118' ' ' TYR . 2.9 tm? -54.24 -49.3 69.79 Favored 'General case' 0 CA--C 1.517 -0.301 0 CA-C-N 115.802 -0.636 . . . . 0.0 109.494 177.094 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.684 ' O ' ' HG ' ' A' ' 81' ' ' LEU . 41.6 mm -62.3 -55.13 25.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 115.51 -0.768 . . . . 0.0 111.227 -177.669 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' GLN . . . . . 0.572 ' HB2' ' HB1' ' A' ' 26' ' ' ALA . 53.5 tt0 -56.22 -50.13 72.14 Favored 'General case' 0 CA--C 1.52 -0.188 0 CA-C-O 120.885 0.374 . . . . 0.0 110.858 -178.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.11 -40.1 88.53 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.58 -0.736 . . . . 0.0 111.124 -178.279 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.683 ' O ' ' HG ' ' A' ' 84' ' ' LEU . 3.3 mm? -65.1 -43.35 92.36 Favored 'General case' 0 C--O 1.221 -0.398 0 CA-C-N 116.635 -0.257 . . . . 0.0 110.594 175.455 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.684 ' HG ' ' O ' ' A' ' 77' ' ' ILE . 45.2 mt -65.72 -40.04 91.79 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.519 0.199 . . . . 0.0 111.329 -178.094 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.505 ' OE1' ' HD2' ' A' ' 38' ' ' ARG . 51.3 mt-10 -61.68 -40.23 94.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.215 0.531 . . . . 0.0 109.751 172.827 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.457 ' HG ' HG12 ' A' ' 58' ' ' ILE . 3.4 tm? -62.31 -43.56 98.53 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.393 177.501 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.683 ' HG ' ' O ' ' A' ' 80' ' ' LEU . 13.3 mt -63.53 -16.16 59.98 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.274 -177.19 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 36.3 m -92.74 -29.62 15.94 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 120.836 0.351 . . . . 0.0 111.234 -173.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -69.27 -43.37 74.02 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.322 0.582 . . . . 0.0 110.659 -177.441 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.481 HD12 HG13 ' A' ' 88' ' ' VAL . 1.3 pp -82.39 -16.55 48.67 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.464 -0.789 . . . . 0.0 112.948 -172.107 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.491 HG11 HD11 ' B' ' 54' ' ' LEU . 15.8 m -91.02 -23.61 5.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 C-N-CA 120.094 -0.642 . . . . 0.0 110.485 177.756 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 60.1 t60 -72.53 -35.61 68.1 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.106 178.383 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 33.2 m -65.74 -27.13 40.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.208 -176.346 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.582 ' HA ' ' HB3' ' A' ' 94' ' ' ALA . 3.0 mm? -65.92 -22.84 66.52 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.651 0.262 . . . . 0.0 111.523 -179.498 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 27.0 t -63.98 -30.19 71.28 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.3 0.571 . . . . 0.0 110.354 179.472 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.532 ' HB2' HG12 ' B' ' 99' ' ' VAL . 23.8 m -106.1 -25.84 11.86 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.079 -179.376 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.582 ' HB3' ' HA ' ' A' ' 91' ' ' LEU . . . -72.47 100.24 2.67 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.45 -0.795 . . . . 0.0 111.149 -179.658 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 5.2 p -71.76 89.29 1.03 Allowed 'General case' 0 N--CA 1.424 -1.751 0 CA-C-N 115.196 -0.911 . . . . 0.0 110.155 176.292 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.772 HD13 ' HB1' ' B' ' 47' ' ' ALA . 19.4 tt -70.42 142.78 15.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-O 120.918 0.389 . . . . 0.0 111.43 -177.51 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -92.21 -104.28 1.5 Allowed Glycine 0 N--CA 1.446 -0.652 0 C-N-CA 120.805 -0.712 . . . . 0.0 111.891 177.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -129.3 117.29 20.43 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.944 0.402 . . . . 0.0 110.532 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.551 HG13 HD11 ' A' ' 96' ' ' ILE . 6.2 m -97.32 137.45 24.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.989 178.542 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 12.8 m -93.44 152.82 18.85 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.169 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 14.9 m -86.72 28.58 0.87 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.979 0.419 . . . . 0.0 110.839 -179.58 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 7.2 p -127.86 137.66 56.94 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.484 0 CA-C-O 121.05 0.452 . . . . 0.0 110.256 -176.328 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 98.98 -8.59 61.22 Favored Glycine 0 N--CA 1.449 -0.497 0 CA-C-N 115.756 -0.656 . . . . 0.0 112.253 179.107 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 24.9 t -57.0 -37.26 53.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 175.679 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -51.76 -45.37 63.7 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.159 -0.928 . . . . 0.0 110.476 176.847 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 14.7 m -73.84 -37.56 64.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.439 -0.8 . . . . 0.0 111.118 -177.886 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 24.0 m -60.95 -38.58 86.35 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-O 121.171 0.51 . . . . 0.0 110.176 178.618 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.591 ' O ' ' HG3' ' A' ' 112' ' ' GLN . 3.6 mt -58.45 -33.38 69.67 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.472 -0.785 . . . . 0.0 111.316 177.288 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -67.1 -24.32 65.93 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.913 0.387 . . . . 0.0 110.633 179.754 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 38.2 t -85.51 -39.86 14.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.98 -177.039 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.562 HG12 ' O ' ' A' ' 108' ' ' LEU . 9.0 p -61.6 -29.03 45.26 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.304 0 CA-C-O 121.383 0.611 . . . . 0.0 110.195 -178.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 112' ' ' GLN . . . . . 0.591 ' HG3' ' O ' ' A' ' 108' ' ' LEU . 24.7 mt-30 -66.62 -24.67 66.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.386 -0.824 . . . . 0.0 111.099 -179.511 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -79.27 -37.72 37.19 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.379 -176.048 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 4.3 m -75.8 -45.69 34.7 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.169 -0.923 . . . . 0.0 112.155 -171.827 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.543 HG11 HD22 ' B' ' 81' ' ' LEU . 11.6 p -109.63 -18.44 7.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-O 120.906 0.384 . . . . 0.0 111.68 -172.81 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -60.31 -26.89 64.62 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 121.024 -0.607 . . . . 0.0 112.553 -178.432 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 1.6 pt20 -84.1 -3.49 58.12 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 111.456 0.169 . . . . 0.0 111.456 -179.285 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' TYR . . . . . 0.487 ' HB3' HD23 ' A' ' 76' ' ' LEU . 67.7 m-85 -106.68 -32.4 8.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.951 0.405 . . . . 0.0 110.282 178.161 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 32.8 m -88.38 -5.99 10.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.462 176.655 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.603 0 C-N-CA 120.979 -0.629 . . . . 0.0 112.136 177.565 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 N-CA-C 111.882 -0.487 . . . . 0.0 111.882 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' -4' ' ' SER . . . . . . . . . . . . . 5.7 p -104.89 6.32 33.64 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.152 0.501 . . . . 0.0 111.085 -179.684 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' -3' ' ' GLY . . . . . . . . . . . . . . . 89.66 -61.15 3.51 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 120.798 -0.715 . . . . 0.0 111.54 -176.578 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' -2' ' ' ASN . . . . . . . . . . . . . 27.1 p30 -110.36 160.42 16.58 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 110.083 -0.34 . . . . 0.0 110.083 175.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' -1' ' ' SER . . . . . . . . . . . . . 64.2 m -146.43 102.93 3.64 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.128 0.489 . . . . 0.0 111.005 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 31.0 t -99.64 147.07 7.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 174.656 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 2' ' ' THR . . . . . 0.495 ' HB ' ' CE2' ' A' ' 8' ' ' TYR . 14.5 t -58.29 153.59 15.06 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.398 0.618 . . . . 0.0 112.664 -173.622 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 16.9 p -149.47 166.17 29.93 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.287 -0.87 . . . . 0.0 109.855 179.259 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -72.03 152.17 48.27 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.987 -0.625 . . . . 0.0 112.42 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -77.9 63.79 3.45 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 121.322 -0.466 . . . . 0.0 113.368 -176.78 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 6' ' ' TYR . . . . . . . . . . . . . 21.9 p90 -135.52 -173.02 3.23 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 177.45 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . 83.65 -60.56 4.85 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.852 177.863 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 33.1 m-85 -61.95 -69.58 0.24 Allowed 'General case' 0 C--O 1.234 0.25 0 CA-C-O 121.233 0.54 . . . . 0.0 110.728 -178.226 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -144.08 83.11 0.2 Allowed Glycine 0 N--CA 1.445 -0.719 0 N-CA-C 111.087 -0.805 . . . . 0.0 111.087 176.835 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 75.0 p -65.42 -43.36 90.75 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.823 0.344 . . . . 0.0 111.564 -174.504 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 32.9 p -160.14 162.24 33.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.516 -178.53 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . 62.42 16.21 8.42 Favored 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 123.291 0.636 . . . . 0.0 111.934 176.028 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -86.35 150.7 24.15 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.972 -176.588 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.75 -43.72 97.62 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.547 -178.525 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 15' ' ' GLY . . . . . 0.574 ' HA3' ' N ' ' B' ' 25' ' ' GLY . . . 132.37 -163.53 24.0 Favored Glycine 0 N--CA 1.447 -0.583 0 C-N-CA 120.224 -0.989 . . . . 0.0 112.903 176.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . 64.62 86.88 0.12 Allowed 'General case' 0 C--O 1.232 0.158 0 C-N-CA 123.126 0.57 . . . . 0.0 111.372 -178.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 56.76 47.71 83.56 Favored Glycine 0 CA--C 1.519 0.331 0 CA-C-N 115.595 -0.73 . . . . 0.0 113.156 179.518 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 1.2 m -87.1 -44.0 16.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 120.798 0.332 . . . . 0.0 111.793 -179.637 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -124.59 175.97 6.83 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 116.276 -0.42 . . . . 0.0 109.925 179.509 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.56 -45.74 89.08 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.236 -178.638 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 21' ' ' GLY . . . . . 0.492 ' HA3' ' CA ' ' A' ' 21' ' ' GLY . . . -137.55 33.32 2.29 Favored Glycine 0 N--CA 1.448 -0.536 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.082 -178.633 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 10.6 m -146.38 126.52 13.8 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 115.569 -0.315 . . . . 0.0 110.171 179.085 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 23' ' ' TYR . . . . . 0.557 ' CE1' ' HA ' ' B' ' 74' ' ' GLU . 0.1 OUTLIER -149.7 118.53 6.64 Favored 'General case' 0 N--CA 1.447 -0.599 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.213 -178.092 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -78.32 -16.04 58.13 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.912 179.413 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 25' ' ' GLY . . . . . 0.574 ' N ' ' HA3' ' B' ' 15' ' ' GLY . . . -66.95 -26.84 73.23 Favored Glycine 0 C--N 1.332 0.309 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.808 179.689 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 26' ' ' ALA . . . . . 0.484 ' HB1' ' HB2' ' B' ' 78' ' ' GLN . . . -79.07 -3.49 45.53 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.057 0.456 . . . . 0.0 110.564 178.427 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 27' ' ' VAL . . . . . 0.499 HG13 HD13 ' B' ' 81' ' ' LEU . 2.7 t -107.89 -48.59 7.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.921 -176.586 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -76.46 4.74 8.49 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 121.1 0.476 . . . . 0.0 110.903 -177.045 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 80.0 ttt180 -93.81 -11.76 30.55 Favored 'General case' 0 N--CA 1.447 -0.58 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.856 175.112 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 30' ' ' LEU . . . . . 0.558 HD11 ' HB3' ' B' ' 81' ' ' LEU . 69.4 mt -71.58 -21.82 61.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.981 -176.416 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 2.9 p -76.99 0.14 22.29 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.142 179.044 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 31.6 t -86.72 157.84 19.55 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.947 178.393 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.59 -21.7 60.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.373 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -51.37 -63.21 1.21 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.802 -0.636 . . . . 0.0 111.085 179.383 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 35' ' ' ALA . . . . . 0.506 ' O ' HG23 ' B' ' 39' ' ' VAL . . . -59.93 -50.61 73.09 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.437 -0.801 . . . . 0.0 111.124 -178.465 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -54.75 -28.17 46.55 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 111.908 0.336 . . . . 0.0 111.908 -176.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 47.7 m -81.98 -20.36 38.67 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.285 -0.416 . . . . 0.0 112.07 -179.409 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 38' ' ' ARG . . . . . 0.434 ' HD2' ' OE1' ' B' ' 82' ' ' GLU . 56.7 mtt180 -98.12 -50.56 4.32 Favored 'General case' 0 CA--C 1.514 -0.427 0 CA-C-O 121.724 0.773 . . . . 0.0 109.093 -179.05 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 39' ' ' VAL . . . . . 0.521 ' O ' HG23 ' B' ' 43' ' ' ILE . 48.6 t -59.08 -33.2 49.64 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 CA-C-N 114.033 -1.44 . . . . 0.0 111.522 -175.916 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 56.3 p -73.0 -13.19 61.18 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.12 0.486 . . . . 0.0 111.189 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 29.8 t -91.31 -14.63 30.47 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.693 0.759 . . . . 0.0 109.214 177.18 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 42' ' ' ASN . . . . . 0.413 ' HB3' HG11 ' B' ' 57' ' ' VAL . 11.8 m120 -97.15 -24.96 15.49 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.079 -0.964 . . . . 0.0 110.257 -174.41 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 43' ' ' ILE . . . . . 0.541 HG13 ' N ' ' B' ' 44' ' ' ALA . 4.6 pt -56.33 -42.66 74.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.432 -0.803 . . . . 0.0 111.743 -176.875 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 44' ' ' ALA . . . . . 0.541 ' N ' HG13 ' B' ' 43' ' ' ILE . . . -77.06 -19.02 57.64 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.079 0.466 . . . . 0.0 110.704 -176.489 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -83.37 -51.3 7.52 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.572 -176.659 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 46' ' ' ILE . . . . . 0.496 HG21 ' HB3' ' B' ' 87' ' ' LEU . 53.0 mt -65.82 -36.06 76.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.185 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 47' ' ' ALA . . . . . 0.772 ' HB1' HD13 ' A' ' 96' ' ' ILE . . . -61.03 -28.82 69.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.247 -179.846 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 44.2 m -94.92 -5.66 44.3 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.884 -0.598 . . . . 0.0 112.042 -174.75 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -128.78 -28.9 0.78 Allowed Glycine 0 CA--C 1.517 0.181 0 C-N-CA 120.253 -0.975 . . . . 0.0 113.404 -176.111 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 80.48 -76.89 2.03 Favored Glycine 0 N--CA 1.447 -0.608 0 N-CA-C 111.127 -0.789 . . . . 0.0 111.127 -178.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -121.74 -17.1 7.52 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 121.17 0.509 . . . . 0.0 110.548 179.46 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 23.1 t -75.18 -11.3 60.05 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.841 -176.473 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -95.06 -16.82 22.38 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.048 -178.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 54' ' ' LEU . . . . . 0.491 HD11 HG11 ' A' ' 88' ' ' VAL . 50.0 mt -53.71 -58.49 12.91 Favored Pre-proline 0 C--N 1.326 -0.437 0 CA-C-N 116.177 -0.465 . . . . 0.0 112.092 -175.747 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 55' ' ' PRO . . . . . 0.437 ' HD2' ' N ' ' B' ' 54' ' ' LEU . 18.4 Cg_endo -60.71 -18.83 57.82 Favored 'Trans proline' 0 C--N 1.353 0.798 0 C-N-CA 122.298 1.999 . . . . 0.0 113.018 -176.267 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 20.1 m -96.46 -34.54 11.46 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.903 0.383 . . . . 0.0 111.208 -178.354 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 57' ' ' VAL . . . . . 0.413 HG11 ' HB3' ' B' ' 42' ' ' ASN . 73.6 t -82.57 -41.22 17.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.459 -176.125 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 58' ' ' ILE . . . . . 0.556 HG12 ' HG ' ' B' ' 83' ' ' LEU . 65.0 mt -56.76 -41.86 76.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.553 177.756 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 17.7 t -66.65 -41.38 88.33 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.337 -178.365 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 63.1 m-20 -58.66 -49.21 78.39 Favored 'General case' 0 CA--C 1.519 -0.238 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.058 178.647 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 61' ' ' ILE . . . . . 0.447 ' O ' HG23 ' B' ' 65' ' ' VAL . 41.9 mt -68.67 -44.52 82.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.182 -179.797 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 62' ' ' TYR . . . . . 0.45 ' O ' HG23 ' B' ' 66' ' ' VAL . 57.3 t80 -56.0 -50.44 70.87 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.141 -177.05 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 11.0 t -63.07 -29.96 71.22 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.965 0.412 . . . . 0.0 110.073 -179.354 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -70.22 -36.63 71.21 Favored Glycine 0 N--CA 1.45 -0.399 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.981 179.307 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 65' ' ' VAL . . . . . 0.728 HG12 HG11 ' B' ' 70' ' ' VAL . 59.9 t -76.89 -43.77 32.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 120.704 0.288 . . . . 0.0 111.024 -179.592 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 66' ' ' VAL . . . . . 0.45 HG23 ' O ' ' B' ' 62' ' ' TYR . 87.8 t -61.7 -35.89 70.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.904 0.383 . . . . 0.0 111.415 -178.342 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -70.46 -2.95 15.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.585 179.11 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 38.7 t -92.01 0.16 57.47 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.127 -179.532 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 85.08 25.55 40.21 Favored Glycine 0 N--CA 1.454 -0.14 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.212 177.597 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.728 HG11 HG12 ' B' ' 65' ' ' VAL . 9.1 p -88.1 160.2 2.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 -179.305 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 33.2 t -66.71 141.64 57.69 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 176.318 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 7.8 m -55.45 -46.83 76.74 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.007 0.373 . . . . 0.0 112.007 -174.693 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -76.25 -27.54 56.76 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.949 0.404 . . . . 0.0 110.148 -176.882 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 74' ' ' GLU . . . . . 0.557 ' HA ' ' CE1' ' B' ' 23' ' ' TYR . 40.6 tt0 -74.85 -32.73 61.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.173 179.116 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 75' ' ' ALA . . . . . 0.492 ' HB2' HG13 ' B' ' 70' ' ' VAL . . . -60.09 -36.67 77.92 Favored 'General case' 0 CA--C 1.518 -0.259 0 CA-C-N 115.513 -0.767 . . . . 0.0 111.193 178.047 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 76' ' ' LEU . . . . . 0.516 HD23 ' HB3' ' B' ' 118' ' ' TYR . 3.1 tm? -55.22 -44.04 75.05 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.033 179.078 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 77' ' ' ILE . . . . . 0.668 ' O ' ' HG ' ' B' ' 81' ' ' LEU . 43.5 mm -66.15 -56.31 15.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.835 -178.394 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 78' ' ' GLN . . . . . 0.484 ' HB2' ' HB1' ' B' ' 26' ' ' ALA . 18.4 tt0 -58.03 -46.99 84.42 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-O 120.553 0.216 . . . . 0.0 111.199 -179.497 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.3 -37.19 82.31 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.988 0.423 . . . . 0.0 110.89 -178.589 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 80' ' ' LEU . . . . . 0.498 ' O ' HD23 ' B' ' 84' ' ' LEU . 5.1 mt -73.25 -39.63 65.29 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.105 178.65 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 81' ' ' LEU . . . . . 0.668 ' HG ' ' O ' ' B' ' 77' ' ' ILE . 35.5 mt -65.89 -38.48 88.88 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 120.695 0.283 . . . . 0.0 110.674 -179.494 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 82' ' ' GLU . . . . . 0.434 ' OE1' ' HD2' ' B' ' 38' ' ' ARG . 52.5 mt-10 -64.31 -35.19 80.06 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.298 172.228 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 83' ' ' LEU . . . . . 0.556 ' HG ' HG12 ' B' ' 58' ' ' ILE . 3.5 tm? -67.46 -43.87 80.01 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-O 121.231 0.539 . . . . 0.0 109.84 177.701 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 84' ' ' LEU . . . . . 0.498 HD23 ' O ' ' B' ' 80' ' ' LEU . 3.9 mm? -67.08 -10.39 49.5 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.458 -0.792 . . . . 0.0 112.008 -178.503 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 49.7 m -93.13 -30.49 15.23 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 120.965 0.412 . . . . 0.0 110.502 -177.671 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 86' ' ' ALA . . . . . 0.463 ' HB2' HG13 ' B' ' 39' ' ' VAL . . . -69.75 -43.11 72.93 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.924 -177.087 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 87' ' ' LEU . . . . . 0.496 ' HB3' HG21 ' B' ' 46' ' ' ILE . 1.2 pp -81.67 -18.67 43.73 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 112.999 0.74 . . . . 0.0 112.999 -171.651 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 88' ' ' VAL . . . . . 0.464 HG13 HD12 ' B' ' 87' ' ' LEU . 17.9 m -91.48 -20.52 6.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 C-N-CA 120.05 -0.66 . . . . 0.0 110.417 176.002 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 89' ' ' HIS . . . . . . . . . . . . . 79.5 t60 -69.79 -36.61 75.84 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.087 176.75 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 90' ' ' VAL . . . . . 0.429 HG22 ' O ' ' B' ' 87' ' ' LEU . 29.5 m -66.57 -26.9 38.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.854 -174.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 91' ' ' LEU . . . . . 0.611 ' HA ' ' HB3' ' B' ' 94' ' ' ALA . 3.5 mm? -65.82 -20.51 66.27 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.634 0.254 . . . . 0.0 111.217 -179.31 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 33.8 t -63.29 -29.02 70.42 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.024 0.44 . . . . 0.0 110.454 179.324 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 93' ' ' SER . . . . . 0.472 ' HB2' HG12 ' A' ' 99' ' ' VAL . 18.2 m -121.81 13.55 10.72 Favored 'General case' 0 N--CA 1.448 -0.534 0 CA-C-O 121.345 0.593 . . . . 0.0 110.563 -179.611 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 94' ' ' ALA . . . . . 0.611 ' HB3' ' HA ' ' B' ' 91' ' ' LEU . . . -107.23 99.15 8.71 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.537 179.243 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 11.1 t -74.6 93.58 2.54 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.186 0.517 . . . . 0.0 109.731 178.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 96' ' ' ILE . . . . . 0.784 HD13 ' HB1' ' A' ' 47' ' ' ALA . 21.3 tt -72.26 149.71 8.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.091 178.814 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 97' ' ' GLY . . . . . . . . . . . . . . . -106.61 -88.44 2.03 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.564 -0.826 . . . . 0.0 112.184 179.773 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 98' ' ' ASN . . . . . . . . . . . . . 6.3 t30 -134.95 115.85 14.03 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.668 0.27 . . . . 0.0 110.612 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 99' ' ' VAL . . . . . 0.67 HG13 HD11 ' B' ' 96' ' ' ILE . 6.0 m -95.57 161.73 2.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.643 177.164 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 100' ' ' SER . . . . . . . . . . . . . 33.2 m -117.47 146.05 43.77 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.466 -178.118 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 16.9 m -87.25 7.1 29.97 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.22 0.534 . . . . 0.0 110.591 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 7.5 p -113.21 128.5 69.96 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.615 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.868 -178.64 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . 109.84 -15.15 31.61 Favored Glycine 0 C--N 1.317 -0.487 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.617 -177.598 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 104' ' ' VAL . . . . . 0.417 ' O ' HD12 ' B' ' 108' ' ' LEU . 38.1 t -59.62 -34.79 56.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 120.921 0.391 . . . . 0.0 109.981 175.341 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -54.91 -43.31 73.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.12 -0.945 . . . . 0.0 109.52 177.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 2.1 m -74.95 -38.74 61.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.122 -0.945 . . . . 0.0 111.13 -178.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 44.8 m -58.96 -36.58 75.07 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-O 121.222 0.534 . . . . 0.0 110.488 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 108' ' ' LEU . . . . . 0.527 ' O ' HG12 ' B' ' 111' ' ' VAL . 1.9 mt -61.5 -24.54 66.67 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.354 -0.839 . . . . 0.0 111.985 179.053 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 109' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -72.16 -27.96 62.92 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.957 0.408 . . . . 0.0 110.462 179.423 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 110' ' ' VAL . . . . . . . . . . . . . 22.8 t -83.62 -37.34 13.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.095 -175.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 111' ' ' VAL . . . . . 0.527 HG12 ' O ' ' B' ' 108' ' ' LEU . 10.6 p -60.8 -28.17 42.58 Favored 'Isoleucine or valine' 0 C--O 1.236 0.354 0 CA-C-O 121.371 0.605 . . . . 0.0 110.342 -179.259 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 112' ' ' GLN . . . . . 0.518 ' HG2' HG12 ' A' ' 27' ' ' VAL . 25.3 mt-30 -66.66 -24.99 66.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.394 -0.821 . . . . 0.0 111.022 -179.555 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 113' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -81.68 -35.22 30.12 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.3 0.571 . . . . 0.0 110.562 -175.609 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 6.3 m -74.42 -46.11 42.22 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.485 -0.779 . . . . 0.0 111.533 -172.433 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 115' ' ' VAL . . . . . 0.55 HG11 HD22 ' A' ' 81' ' ' LEU . 13.0 p -109.35 -16.64 8.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-O 121.022 0.439 . . . . 0.0 111.251 -174.621 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 116' ' ' GLY . . . . . 0.419 ' HA3' ' O ' ' B' ' 112' ' ' GLN . . . -64.0 -11.43 44.66 Favored Glycine 0 C--O 1.224 -0.525 0 CA-C-N 115.971 -0.559 . . . . 0.0 113.363 -177.873 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -97.71 1.5 48.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.931 0.366 . . . . 0.0 110.891 178.333 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 118' ' ' TYR . . . . . 0.516 ' HB3' HD23 ' B' ' 76' ' ' LEU . 69.8 m-85 -113.84 -28.92 7.24 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.274 0.559 . . . . 0.0 110.126 177.916 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 119' ' ' VAL . . . . . . . . . . . . . 34.8 m -92.11 -2.89 10.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.079 177.1 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 120' ' ' GLY . . . . . 0.449 ' HA3' ' HB2' ' A' ' 24' ' ' ALA . . . . . . . . 0 C--O 1.25 1.133 0 CA-C-O 118.492 -1.171 . . . . 0.0 112.217 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.529 0 N-CA-C 111.959 -0.456 . . . . 0.0 111.959 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 20.3 m -92.16 145.24 24.66 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 110.168 -0.308 . . . . 0.0 110.168 178.304 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . 148.08 -144.61 12.56 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.579 -0.82 . . . . 0.0 112.348 178.892 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' -2' ' ' ASN . . . . . . . . . . . . . 6.9 p30 -136.03 117.01 14.25 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.267 0.556 . . . . 0.0 110.512 -179.518 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 20.0 m -150.42 -66.33 0.2 Allowed 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.791 178.15 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 50.7 t -108.1 124.59 64.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.238 179.693 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 2.1 t -150.5 87.48 1.44 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.559 0.695 . . . . 0.0 110.67 178.411 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 61.3 m -156.79 149.12 23.22 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.174 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 107.25 157.93 20.79 Favored Glycine 0 N--CA 1.445 -0.711 0 C-N-CA 120.853 -0.689 . . . . 0.0 111.98 -179.216 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -86.86 54.65 4.61 Favored Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 121.014 -0.612 . . . . 0.0 112.371 -179.104 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 46.6 p90 -151.83 145.33 24.86 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 110.016 -0.365 . . . . 0.0 110.016 179.278 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 149.76 87.79 0.07 OUTLIER Glycine 0 N--CA 1.447 -0.621 0 C-N-CA 120.709 -0.758 . . . . 0.0 111.699 -179.713 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER 68.99 -66.51 0.25 Allowed 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 123.598 0.759 . . . . 0.0 110.795 -177.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -88.98 73.13 2.18 Favored Glycine 0 N--CA 1.449 -0.47 0 N-CA-C 111.48 -0.648 . . . . 0.0 111.48 176.321 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 21.7 p -82.53 -31.27 29.24 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.353 0.597 . . . . 0.0 111.197 -178.4 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 25.5 m -133.06 160.87 35.91 Favored 'General case' 0 N--CA 1.446 -0.63 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.214 -177.484 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -77.95 48.9 0.75 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.127 0.489 . . . . 0.0 110.954 -179.282 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -119.4 0.64 11.13 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.415 179.706 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -144.89 145.45 31.59 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.988 -179.637 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -165.13 89.26 0.1 Allowed Glycine 0 N--CA 1.443 -0.836 0 C-N-CA 120.349 -0.929 . . . . 0.0 113.157 -177.55 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -175.74 92.58 0.05 Allowed 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 173.258 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 58.21 39.77 92.85 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.583 -0.817 . . . . 0.0 111.762 -172.454 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.427 HG23 ' O ' ' A' ' 22' ' ' SER . 0.2 OUTLIER -73.04 -60.6 2.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 N-CA-C 112.104 0.409 . . . . 0.0 112.104 -174.546 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -106.69 -176.21 3.01 Favored 'General case' 0 C--N 1.321 -0.636 0 C-N-CA 120.936 -0.305 . . . . 0.0 111.065 -177.27 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -95.65 28.61 2.94 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.983 0.421 . . . . 0.0 110.143 177.312 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -179.0 -33.18 0.06 OUTLIER Glycine 0 N--CA 1.448 -0.552 0 C-N-CA 120.865 -0.683 . . . . 0.0 112.333 -178.234 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.507 ' HB3' ' O ' ' B' ' 119' ' ' VAL . 57.9 m -106.5 135.55 47.82 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 111.627 0.232 . . . . 0.0 111.627 179.728 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -153.94 134.75 13.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.044 177.733 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -93.43 -20.17 20.57 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.779 0.323 . . . . 0.0 111.095 176.428 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.08 -30.98 79.3 Favored Glycine 0 CA--C 1.508 -0.344 0 C-N-CA 121.043 -0.599 . . . . 0.0 112.316 -178.121 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.582 ' HB1' ' HB2' ' A' ' 78' ' ' GLN . . . -66.95 -16.41 64.33 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.182 0.515 . . . . 0.0 110.614 177.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.454 HG22 HD11 ' A' ' 81' ' ' LEU . 3.1 t -95.73 -42.04 12.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.863 -175.16 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 22.4 m120 -66.88 -28.04 68.0 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-O 120.955 0.407 . . . . 0.0 110.981 -176.687 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 78.3 ttt180 -72.67 -12.27 60.96 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.277 -176.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.675 HD11 ' HB3' ' A' ' 81' ' ' LEU . 90.6 mt -65.42 -27.23 68.39 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.794 -176.611 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 15.7 p -74.86 -1.95 24.63 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.16 0.505 . . . . 0.0 111.498 -177.099 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 47.7 t -84.32 159.78 20.84 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.222 177.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.27 -16.93 61.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.046 178.86 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -54.13 -61.38 2.34 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.765 178.212 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.544 ' O ' HG23 ' A' ' 39' ' ' VAL . . . -61.2 -53.68 53.8 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.593 179.216 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.56 -36.49 34.84 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.163 -0.471 . . . . 0.0 112.162 -176.005 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 47.4 t -71.96 -26.21 62.18 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-O 120.833 0.349 . . . . 0.0 111.415 -178.34 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 93.9 mtt-85 -91.41 -47.9 7.19 Favored 'General case' 0 CA--C 1.514 -0.44 0 CA-C-O 121.8 0.809 . . . . 0.0 108.872 -177.761 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.544 HG23 ' O ' ' A' ' 35' ' ' ALA . 61.9 t -59.22 -35.6 58.65 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-N 114.022 -1.444 . . . . 0.0 111.256 -178.5 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.505 ' HB2' ' HB3' ' B' ' 101' ' ' SER . 78.0 p -73.17 -8.76 57.2 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.813 0.34 . . . . 0.0 111.892 -179.348 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 32.6 t -96.37 -17.59 20.53 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.623 0.725 . . . . 0.0 109.249 175.837 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.435 ' OD1' HD11 ' A' ' 61' ' ' ILE . 9.5 m120 -87.09 -27.6 23.03 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.267 -0.879 . . . . 0.0 109.549 -176.092 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.497 HG13 ' N ' ' A' ' 44' ' ' ALA . 3.0 pt -59.19 -33.49 50.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.085 -0.962 . . . . 0.0 111.074 179.763 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.497 ' N ' HG13 ' A' ' 43' ' ' ILE . . . -89.9 6.37 42.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.108 0.48 . . . . 0.0 111.105 -178.686 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -109.45 -52.96 2.71 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.163 0.506 . . . . 0.0 110.061 177.507 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.43 ' HA ' ' HB3' ' A' ' 53' ' ' ALA . 64.8 mt -64.53 -35.1 73.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.096 -177.669 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.698 ' HB1' HD13 ' B' ' 96' ' ' ILE . . . -66.59 -11.33 52.85 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 112.124 0.416 . . . . 0.0 112.124 -177.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 32.7 t -104.38 -7.52 19.85 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.468 -177.369 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -134.3 -36.01 0.25 Allowed Glycine 0 N--CA 1.453 -0.179 0 C-N-CA 120.306 -0.95 . . . . 0.0 113.356 -175.795 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 85.33 -77.24 2.11 Favored Glycine 0 N--CA 1.444 -0.795 0 N-CA-C 111.165 -0.774 . . . . 0.0 111.165 -177.35 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -112.75 -22.9 10.46 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 121.089 0.471 . . . . 0.0 110.911 -177.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 8.9 p -74.1 -17.53 60.93 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.169 -177.154 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.43 ' HB3' ' HA ' ' A' ' 46' ' ' ILE . . . -88.73 -16.25 32.7 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.659 -178.761 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.428 ' N ' ' HD2' ' A' ' 55' ' ' PRO . 50.8 mt -54.52 -56.4 27.28 Favored Pre-proline 0 CA--C 1.534 0.347 0 CA-C-N 115.877 -0.602 . . . . 0.0 112.025 -176.169 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.428 ' HD2' ' N ' ' A' ' 54' ' ' LEU . 18.5 Cg_endo -62.7 -28.74 76.77 Favored 'Trans proline' 0 C--N 1.352 0.73 0 C-N-CA 121.899 1.733 . . . . 0.0 112.037 -178.028 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 14.5 m -79.01 -34.06 44.37 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.154 0.502 . . . . 0.0 111.002 -178.087 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.412 HG23 ' O ' ' A' ' 53' ' ' ALA . 76.5 t -86.57 -40.66 14.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.894 -173.631 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.517 HG12 HD22 ' A' ' 83' ' ' LEU . 76.5 mt -56.98 -44.13 82.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.344 176.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 11.8 t -64.43 -35.24 80.27 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.252 -176.906 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -68.38 -47.19 68.0 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.999 179.752 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.435 HD11 ' OD1' ' A' ' 42' ' ' ASN . 47.5 mt -70.11 -45.02 77.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.346 -179.349 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.512 ' O ' HG23 ' A' ' 66' ' ' VAL . 42.2 t80 -53.87 -53.49 51.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.087 -176.494 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 21.0 t -63.29 -29.43 70.75 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.923 0.392 . . . . 0.0 110.56 -179.048 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -66.64 -43.82 91.16 Favored Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.847 -0.692 . . . . 0.0 111.864 178.807 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.656 HG12 HG11 ' A' ' 70' ' ' VAL . 29.9 t -71.99 -43.54 67.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-O 120.722 0.296 . . . . 0.0 111.047 -179.71 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.512 HG23 ' O ' ' A' ' 62' ' ' TYR . 94.7 t -57.63 -38.27 63.46 Favored 'Isoleucine or valine' 0 C--O 1.234 0.245 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.299 -178.129 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -66.56 -10.54 46.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.017 -0.538 . . . . 0.0 112.192 -178.406 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 29.2 t -87.54 -9.37 54.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.793 0.33 . . . . 0.0 110.997 -179.635 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 89.56 33.42 9.27 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.522 -0.847 . . . . 0.0 112.085 -179.301 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.656 HG11 HG12 ' A' ' 65' ' ' VAL . 13.5 p -80.99 157.91 4.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 177.695 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 2.0 m -65.42 156.26 32.89 Favored 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 110.433 -0.21 . . . . 0.0 110.433 178.527 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.7 m -54.05 -65.59 0.54 Allowed 'General case' 0 CA--C 1.534 0.329 0 N-CA-C 112.806 0.669 . . . . 0.0 112.806 -172.381 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -73.75 -22.48 59.85 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.321 0.581 . . . . 0.0 109.983 -176.42 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -67.97 -31.93 71.99 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.55 -0.75 . . . . 0.0 109.971 178.661 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.462 ' HB2' HG13 ' A' ' 70' ' ' VAL . . . -61.94 -43.29 99.16 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.837 176.128 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.515 HD23 ' HB3' ' A' ' 118' ' ' TYR . 2.8 tm? -56.76 -50.37 72.49 Favored 'General case' 0 CA--C 1.516 -0.355 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.627 176.681 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.745 ' O ' ' HG ' ' A' ' 81' ' ' LEU . 33.7 mm -59.0 -56.51 16.48 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 115.247 -0.888 . . . . 0.0 111.351 -177.052 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' GLN . . . . . 0.582 ' HB2' ' HB1' ' A' ' 26' ' ' ALA . 44.2 tt0 -59.09 -46.5 88.13 Favored 'General case' 0 N--CA 1.464 0.265 0 C-N-CA 120.878 -0.329 . . . . 0.0 111.288 -178.713 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -58.57 -38.57 78.16 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.837 -179.156 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.615 ' O ' HD23 ' A' ' 84' ' ' LEU . 3.2 mm? -68.12 -42.26 80.48 Favored 'General case' 0 N--CA 1.448 -0.557 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.656 175.386 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.745 ' HG ' ' O ' ' A' ' 77' ' ' ILE . 77.6 mt -60.43 -45.12 94.78 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.734 0.302 . . . . 0.0 111.309 -179.436 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -62.73 -42.7 99.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.895 0.379 . . . . 0.0 110.382 177.758 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.517 HD22 HG12 ' A' ' 58' ' ' ILE . 41.5 tp -58.82 -44.03 90.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.073 0.463 . . . . 0.0 110.921 176.339 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.615 HD23 ' O ' ' A' ' 80' ' ' LEU . 3.5 mm? -66.39 -5.58 11.35 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.617 -0.72 . . . . 0.0 111.871 -177.648 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.41 ' OG ' HD13 ' B' ' 108' ' ' LEU . 20.0 m -98.37 -30.15 12.74 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.895 0.379 . . . . 0.0 110.553 178.096 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.462 ' HB2' HG13 ' A' ' 39' ' ' VAL . . . -71.75 -48.0 49.85 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.335 0.588 . . . . 0.0 110.762 -176.358 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.48 HD12 ' N ' ' A' ' 88' ' ' VAL . 1.1 pp -74.2 -20.7 60.11 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.405 -0.816 . . . . 0.0 112.753 -172.163 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.509 HG11 HD11 ' B' ' 54' ' ' LEU . 16.4 m -89.86 -22.43 6.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 C-N-CA 120.297 -0.561 . . . . 0.0 110.543 177.215 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 54.7 t60 -70.47 -34.52 72.5 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.266 179.258 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.431 HG22 ' O ' ' A' ' 87' ' ' LEU . 20.3 m -66.18 -27.22 40.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.262 -176.127 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.669 ' HA ' ' HB3' ' A' ' 94' ' ' ALA . 4.1 mm? -62.97 -24.63 67.98 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.971 0.415 . . . . 0.0 110.999 178.787 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 60.2 m -56.9 -34.94 68.41 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.02 179.169 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.656 ' HB2' HG12 ' B' ' 99' ' ' VAL . 19.4 m -108.01 -19.28 13.56 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.629 0.728 . . . . 0.0 110.324 -178.878 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.669 ' HB3' ' HA ' ' A' ' 91' ' ' LEU . . . -76.72 96.33 4.2 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.102 -0.954 . . . . 0.0 111.61 -179.233 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 26.4 t -75.26 89.21 2.55 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.21 -0.663 . . . . 0.0 109.21 174.163 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.734 HD13 ' HB1' ' B' ' 47' ' ' ALA . 20.0 tt -68.55 145.4 13.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.453 -177.458 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -92.73 -109.29 1.84 Allowed Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.889 -0.672 . . . . 0.0 112.157 179.152 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -122.83 117.13 24.92 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.708 0.29 . . . . 0.0 110.286 -179.273 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.569 ' CG1' HD11 ' A' ' 96' ' ' ILE . 5.7 m -97.61 155.47 3.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 120.86 0.362 . . . . 0.0 110.946 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 40.0 m -116.63 148.85 40.59 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.474 -178.371 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 2.5 p -84.91 0.43 51.19 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.317 0.58 . . . . 0.0 111.077 179.289 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 45.9 t -94.01 111.76 25.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.06 -174.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 107.82 1.43 34.34 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.837 -0.697 . . . . 0.0 112.828 176.305 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 47.4 t -57.15 -33.0 41.94 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.106 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 174.721 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -49.37 -42.67 42.82 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.303 -0.862 . . . . 0.0 111.572 177.793 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 25.0 m -72.88 -24.98 60.92 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.02 -177.84 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 22.3 m -72.12 -35.66 69.2 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 177.631 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.584 ' O ' ' HG3' ' A' ' 112' ' ' GLN . 4.5 mm? -57.93 -31.34 66.73 Favored 'General case' 0 C--O 1.221 -0.437 0 CA-C-N 115.321 -0.854 . . . . 0.0 110.308 174.779 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -73.36 -26.61 61.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.813 0.339 . . . . 0.0 110.78 -179.086 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 41.4 t -82.63 -37.45 14.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.828 -176.478 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.542 HG12 ' O ' ' A' ' 108' ' ' LEU . 8.5 p -62.93 -25.2 37.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 121.436 0.636 . . . . 0.0 110.511 -179.583 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 112' ' ' GLN . . . . . 0.584 ' HG3' ' O ' ' A' ' 108' ' ' LEU . 21.8 mt-30 -70.48 -21.16 62.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.977 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -82.8 -34.82 26.89 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.683 -174.63 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 13.4 p -80.44 -47.24 14.64 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.45 -0.796 . . . . 0.0 112.007 -172.119 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.641 HG11 HD22 ' B' ' 81' ' ' LEU . 12.7 p -107.76 -16.05 8.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-O 120.922 0.392 . . . . 0.0 111.507 -171.839 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -61.45 -22.53 61.44 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.854 -0.689 . . . . 0.0 112.663 -178.551 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -92.3 6.84 45.33 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.717 0.294 . . . . 0.0 111.337 -179.165 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 118' ' ' TYR . . . . . 0.515 ' HB3' HD23 ' A' ' 76' ' ' LEU . 70.2 m-85 -116.08 -32.59 5.32 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-O 120.8 0.333 . . . . 0.0 110.297 175.765 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.404 ' O ' ' HB3' ' B' ' 22' ' ' SER . 35.1 m -84.1 -3.02 7.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.732 176.331 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.512 0 C-N-CA 121.048 -0.596 . . . . 0.0 111.882 179.381 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.387 0 N-CA-C 112.351 -0.3 . . . . 0.0 112.351 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' -4' ' ' SER . . . . . . . . . . . . . 35.9 m -143.28 120.89 11.79 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.881 0.372 . . . . 0.0 110.637 178.563 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' -3' ' ' GLY . . . . . . . . . . . . . . . -136.27 140.17 11.3 Favored Glycine 0 N--CA 1.446 -0.673 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.148 -179.394 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' -2' ' ' ASN . . . . . . . . . . . . . 2.5 p-10 -114.5 108.9 17.47 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.477 0.656 . . . . 0.0 110.84 -179.758 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' -1' ' ' SER . . . . . . . . . . . . . 18.1 m -150.14 162.85 39.63 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.828 178.649 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 12.6 m -95.7 105.49 17.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-O 121.408 0.623 . . . . 0.0 110.87 178.565 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 20.9 p -74.38 129.42 37.74 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.228 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 31.1 p -103.16 127.72 50.36 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.609 178.196 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . 157.58 171.58 23.74 Favored Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 120.971 -0.633 . . . . 0.0 111.737 178.174 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -86.86 47.39 3.7 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.255 -179.66 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 6' ' ' TYR . . . . . . . . . . . . . 52.4 p90 -156.84 175.5 13.98 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 -177.69 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . 154.36 -134.01 4.12 Favored Glycine 0 N--CA 1.448 -0.502 0 N-CA-C 111.366 -0.694 . . . . 0.0 111.366 -179.517 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 39.1 t80 -71.81 -35.11 69.85 Favored 'General case' 0 N--CA 1.446 -0.666 0 CA-C-O 121.064 0.459 . . . . 0.0 110.035 179.065 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -122.66 108.45 1.25 Allowed Glycine 0 N--CA 1.447 -0.578 0 C-N-CA 121.081 -0.58 . . . . 0.0 111.782 176.057 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 32.8 p -96.59 -22.95 16.74 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.001 0.429 . . . . 0.0 110.84 -179.736 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 49.4 m -129.1 171.39 12.44 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.465 -178.599 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -78.44 20.21 0.43 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.949 0.404 . . . . 0.0 111.615 -177.738 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -86.78 -28.74 22.8 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.248 0.547 . . . . 0.0 110.36 177.753 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -112.79 135.04 53.99 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.576 -178.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . -149.45 55.48 0.48 Allowed Glycine 0 C--O 1.221 -0.671 0 C-N-CA 120.581 -0.819 . . . . 0.0 112.482 -179.412 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 16' ' ' ALA . . . . . 0.561 ' H ' HG13 ' B' ' 18' ' ' VAL . . . -159.3 109.48 1.95 Allowed 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 -179.296 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 56.57 35.92 68.84 Favored Glycine 0 CA--C 1.518 0.244 0 C-N-CA 120.793 -0.718 . . . . 0.0 111.911 -175.214 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 18' ' ' VAL . . . . . 0.561 HG13 ' H ' ' B' ' 16' ' ' ALA . 3.3 m -84.62 -21.72 8.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 N-CA-C 112.301 0.482 . . . . 0.0 112.301 -173.86 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -148.56 -173.04 4.23 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.387 176.622 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -100.65 -7.29 24.06 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.827 0.346 . . . . 0.0 110.857 178.868 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -149.53 21.29 1.18 Allowed Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.946 -0.645 . . . . 0.0 111.983 176.424 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 22' ' ' SER . . . . . 0.404 ' HB3' ' O ' ' A' ' 119' ' ' VAL . 34.6 m -151.71 124.38 8.45 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-O 120.675 0.274 . . . . 0.0 111.24 179.743 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -153.33 129.18 10.19 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 108.503 -0.925 . . . . 0.0 108.503 177.107 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -80.56 -27.03 37.64 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 120.751 0.31 . . . . 0.0 111.485 -178.065 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.15 -28.34 73.43 Favored Glycine 0 CA--C 1.512 -0.136 0 C-N-CA 121.105 -0.569 . . . . 0.0 112.561 -179.4 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 26' ' ' ALA . . . . . 0.424 ' HB1' ' HB2' ' B' ' 78' ' ' GLN . . . -68.77 -17.94 64.12 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.598 0.714 . . . . 0.0 109.749 177.7 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 27' ' ' VAL . . . . . 0.538 HG12 ' HG2' ' A' ' 112' ' ' GLN . 2.5 t -92.68 -38.05 9.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-N 114.859 -1.064 . . . . 0.0 109.693 177.833 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 76.2 m-20 -75.18 -15.58 60.56 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.097 -174.236 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 77.7 ttt180 -82.34 -11.31 58.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.321 0.582 . . . . 0.0 110.222 178.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 30' ' ' LEU . . . . . 0.562 ' HB3' HD12 ' A' ' 108' ' ' LEU . 97.6 mt -66.66 -26.39 67.03 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.63 -176.383 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 5.2 p -77.14 -0.4 24.77 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.548 -178.238 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 8.5 t -82.58 161.85 22.13 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.816 -0.439 . . . . 0.0 109.816 179.356 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.11 -15.68 63.3 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.811 0.339 . . . . 0.0 110.798 178.601 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -57.89 -66.37 0.49 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.714 179.151 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 35' ' ' ALA . . . . . 0.501 ' O ' HG23 ' B' ' 39' ' ' VAL . . . -55.9 -50.7 69.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.071 179.745 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -56.88 -20.57 23.82 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.332 0.493 . . . . 0.0 112.332 -177.385 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 44.7 t -85.95 -27.45 24.9 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.779 0.323 . . . . 0.0 111.325 178.768 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 38' ' ' ARG . . . . . 0.603 ' NH1' ' HA ' ' B' ' 61' ' ' ILE . 13.4 mtp180 -95.61 -45.1 7.19 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 -176.191 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 39' ' ' VAL . . . . . 0.503 HG13 ' HB2' ' B' ' 86' ' ' ALA . 59.6 t -59.36 -34.87 55.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 114.875 -1.057 . . . . 0.0 110.989 179.752 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 33.1 p -72.75 -11.77 60.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.372 179.167 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 47.0 t -91.62 -17.03 26.16 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.701 0.763 . . . . 0.0 109.445 176.194 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 42' ' ' ASN . . . . . 0.427 ' OD1' HD11 ' B' ' 61' ' ' ILE . 10.6 m120 -92.93 -26.51 17.56 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.174 -0.921 . . . . 0.0 110.058 -174.598 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 43' ' ' ILE . . . . . 0.534 HG13 ' N ' ' B' ' 44' ' ' ALA . 3.9 pt -56.41 -40.42 67.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.478 -0.783 . . . . 0.0 111.604 -177.736 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 44' ' ' ALA . . . . . 0.534 ' N ' HG13 ' B' ' 43' ' ' ILE . . . -79.39 -12.49 59.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.982 0.42 . . . . 0.0 111.159 -176.217 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -90.38 -51.27 5.51 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.234 0.54 . . . . 0.0 110.495 -178.047 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 46' ' ' ILE . . . . . 0.467 HG21 ' HB3' ' B' ' 87' ' ' LEU . 47.7 mt -68.22 -32.49 56.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.725 -178.215 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 47' ' ' ALA . . . . . 0.734 ' HB1' HD13 ' A' ' 96' ' ' ILE . . . -64.43 -19.69 65.69 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.303 179.58 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 33.7 t -100.45 -47.21 4.97 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.825 -178.095 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -84.22 -24.77 46.57 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.814 -0.708 . . . . 0.0 113.3 -176.451 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 75.83 -74.85 1.54 Allowed Glycine 0 N--CA 1.45 -0.378 0 N-CA-C 111.554 -0.618 . . . . 0.0 111.554 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -122.23 -23.05 5.4 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.09 0.471 . . . . 0.0 110.426 179.16 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 15.2 m -72.52 -10.34 59.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.947 -178.103 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -91.81 -17.01 25.97 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.649 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 54' ' ' LEU . . . . . 0.509 HD11 HG11 ' A' ' 88' ' ' VAL . 50.8 mt -55.67 -58.51 15.31 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 115.904 -0.589 . . . . 0.0 112.282 -176.152 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 55' ' ' PRO . . . . . 0.423 ' HD2' ' N ' ' B' ' 54' ' ' LEU . 18.2 Cg_endo -60.72 -21.57 70.13 Favored 'Trans proline' 0 C--N 1.353 0.767 0 C-N-CA 122.242 1.961 . . . . 0.0 112.436 -176.489 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 14.8 m -89.04 -44.58 10.27 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.049 0.452 . . . . 0.0 110.905 -179.796 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 78.8 t -74.89 -37.45 41.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.406 -173.55 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 58' ' ' ILE . . . . . 0.577 HG12 HD22 ' B' ' 83' ' ' LEU . 46.7 mt -57.09 -44.1 82.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.241 175.783 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 5.1 t -68.92 -38.58 79.64 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.988 -177.13 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -60.83 -48.68 80.72 Favored 'General case' 0 CA--C 1.52 -0.21 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.703 178.78 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 61' ' ' ILE . . . . . 0.603 ' HA ' ' NH1' ' B' ' 38' ' ' ARG . 41.4 mt -69.24 -45.37 79.47 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.957 179.107 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 62' ' ' TYR . . . . . 0.491 ' O ' HG23 ' B' ' 66' ' ' VAL . 48.5 t80 -55.41 -55.64 29.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.081 -177.709 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 33.6 t -60.68 -31.66 70.91 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-O 121.093 0.473 . . . . 0.0 110.312 -179.484 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 64' ' ' GLY . . . . . 0.48 ' HA3' ' NH1' ' B' ' 38' ' ' ARG . . . -65.75 -45.14 90.45 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.839 -0.696 . . . . 0.0 111.936 178.283 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 65' ' ' VAL . . . . . 0.707 HG12 HG11 ' B' ' 70' ' ' VAL . 41.4 t -70.81 -44.14 76.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.76 0.314 . . . . 0.0 110.836 -179.303 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 66' ' ' VAL . . . . . 0.491 HG23 ' O ' ' B' ' 62' ' ' TYR . 93.0 t -57.22 -37.05 54.14 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.328 0 CA-C-O 120.901 0.381 . . . . 0.0 110.961 -179.761 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.07 -7.24 11.25 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 115.941 -0.572 . . . . 0.0 112.238 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 44.6 t -93.17 -2.55 55.17 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.555 0.217 . . . . 0.0 111.513 -178.635 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 83.82 26.99 39.58 Favored Glycine 0 N--CA 1.453 -0.174 0 C-N-CA 120.415 -0.898 . . . . 0.0 111.902 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.707 HG11 HG12 ' B' ' 65' ' ' VAL . 13.8 p -78.58 158.74 4.8 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-N 115.372 -0.414 . . . . 0.0 109.905 179.139 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 1.5 m -68.04 152.55 45.34 Favored 'General case' 0 N--CA 1.448 -0.526 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 178.174 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 24.9 m -49.54 -68.07 0.21 Allowed 'General case' 0 N--CA 1.468 0.469 0 N-CA-C 113.649 0.981 . . . . 0.0 113.649 -171.287 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 47.9 t30 -81.37 -11.69 59.21 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.118 -0.633 . . . . 0.0 110.495 -175.394 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -69.02 -33.42 73.6 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.733 -0.84 . . . . 0.0 108.733 173.023 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 75' ' ' ALA . . . . . 0.491 ' HB2' HG13 ' B' ' 70' ' ' VAL . . . -62.54 -42.12 99.32 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 114.851 -1.068 . . . . 0.0 110.237 173.886 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 76' ' ' LEU . . . . . 0.533 HD23 ' HB3' ' B' ' 118' ' ' TYR . 2.8 tm? -53.93 -54.67 35.55 Favored 'General case' 0 CA--C 1.518 -0.277 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.567 177.656 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 77' ' ' ILE . . . . . 0.701 ' O ' ' HG ' ' B' ' 81' ' ' LEU . 37.2 mm -59.33 -55.71 21.86 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 115.336 -0.847 . . . . 0.0 111.563 -177.292 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 78' ' ' GLN . . . . . 0.424 ' HB2' ' HB1' ' B' ' 26' ' ' ALA . 48.6 tt0 -57.89 -48.78 78.84 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 120.826 -0.35 . . . . 0.0 110.931 -178.22 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.2 -38.89 84.67 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.809 -178.859 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 80' ' ' LEU . . . . . 0.613 ' O ' HD23 ' B' ' 84' ' ' LEU . 2.8 mm? -65.41 -41.75 93.3 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.769 175.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 81' ' ' LEU . . . . . 0.701 ' HG ' ' O ' ' B' ' 77' ' ' ILE . 37.6 mt -68.73 -39.21 80.5 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.601 0.238 . . . . 0.0 111.15 -177.797 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -59.55 -45.6 91.32 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 173.12 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 83' ' ' LEU . . . . . 0.577 HD22 HG12 ' B' ' 58' ' ' ILE . 35.2 tp -58.17 -46.58 85.48 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.398 176.374 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 84' ' ' LEU . . . . . 0.613 HD23 ' O ' ' B' ' 80' ' ' LEU . 3.6 mm? -65.85 -3.73 5.57 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.979 -176.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 85' ' ' SER . . . . . 0.443 ' OG ' HD13 ' A' ' 108' ' ' LEU . 22.8 m -101.73 -27.27 13.14 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.903 0.382 . . . . 0.0 110.57 177.744 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 86' ' ' ALA . . . . . 0.503 ' HB2' HG13 ' B' ' 39' ' ' VAL . . . -72.16 -45.86 58.74 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-O 121.501 0.667 . . . . 0.0 110.587 -177.221 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 87' ' ' LEU . . . . . 0.509 HD12 HG13 ' B' ' 88' ' ' VAL . 1.0 OUTLIER -80.16 -14.02 58.79 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.152 -0.931 . . . . 0.0 112.663 -172.043 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 88' ' ' VAL . . . . . 0.509 HG13 HD12 ' B' ' 87' ' ' LEU . 20.6 m -96.26 -23.57 4.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 C-N-CA 120.459 -0.496 . . . . 0.0 110.882 177.128 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 89' ' ' HIS . . . . . . . . . . . . . 50.6 t60 -68.54 -35.38 77.36 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.86 -0.422 . . . . 0.0 109.86 177.571 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 90' ' ' VAL . . . . . . . . . . . . . 32.9 m -64.6 -26.16 39.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.436 -176.038 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 91' ' ' LEU . . . . . 0.622 ' HA ' ' HB3' ' B' ' 94' ' ' ALA . 3.5 mm? -65.84 -22.85 66.57 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.565 -0.289 . . . . 0.0 111.182 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 33.1 t -61.94 -28.05 69.26 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-O 121.085 0.469 . . . . 0.0 110.666 179.184 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 93' ' ' SER . . . . . 0.516 ' HB2' HG12 ' A' ' 99' ' ' VAL . 25.7 m -121.87 13.48 10.66 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-O 121.246 0.546 . . . . 0.0 110.557 -179.811 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 94' ' ' ALA . . . . . 0.622 ' HB3' ' HA ' ' B' ' 91' ' ' LEU . . . -107.73 97.53 7.24 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-N 115.784 -0.643 . . . . 0.0 110.423 179.209 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 22.8 t -73.46 90.05 1.69 Allowed 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 178.302 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 96' ' ' ILE . . . . . 0.698 HD13 ' HB1' ' A' ' 47' ' ' ALA . 20.9 tt -74.1 141.94 15.46 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.679 179.644 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 97' ' ' GLY . . . . . . . . . . . . . . . -88.85 -116.02 1.4 Allowed Glycine 0 N--CA 1.447 -0.569 0 C-N-CA 120.589 -0.815 . . . . 0.0 112.082 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 98' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -119.92 98.54 6.14 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 120.991 0.424 . . . . 0.0 109.894 -178.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 99' ' ' VAL . . . . . 0.656 HG12 ' HB2' ' A' ' 93' ' ' SER . 13.7 m -76.2 164.43 3.55 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.487 177.442 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 100' ' ' SER . . . . . 0.408 ' C ' ' H ' ' B' ' 102' ' ' VAL . 28.7 m -138.39 149.48 45.58 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.177 -178.567 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 101' ' ' SER . . . . . 0.505 ' HB3' ' HB2' ' A' ' 40' ' ' SER . 41.0 m -76.25 29.12 0.12 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.371 -177.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 102' ' ' VAL . . . . . 0.408 ' H ' ' C ' ' B' ' 100' ' ' SER . 60.3 t -108.28 108.98 26.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.75 -175.852 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . 107.49 -0.89 34.61 Favored Glycine 0 N--CA 1.446 -0.695 0 C-N-CA 120.55 -0.833 . . . . 0.0 112.852 176.022 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 104' ' ' VAL . . . . . 0.401 ' O ' HD23 ' B' ' 108' ' ' LEU . 21.5 t -60.21 -36.64 69.56 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.231 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 178.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -50.77 -38.44 48.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.446 -0.797 . . . . 0.0 111.074 179.655 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 14.6 m -75.0 -29.98 61.02 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.034 -178.83 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 13.1 m -67.42 -34.78 77.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.187 0.518 . . . . 0.0 109.889 -179.452 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 108' ' ' LEU . . . . . 0.553 HD12 ' HB3' ' A' ' 30' ' ' LEU . 4.6 mm? -58.82 -28.14 65.75 Favored 'General case' 0 C--O 1.223 -0.341 0 CA-C-N 115.301 -0.863 . . . . 0.0 110.944 176.659 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 109' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -74.66 -24.53 58.83 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.031 0.443 . . . . 0.0 110.448 -178.069 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 110' ' ' VAL . . . . . . . . . . . . . 40.5 t -84.81 -40.78 15.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.987 -176.307 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 111' ' ' VAL . . . . . 0.478 HG12 ' O ' ' B' ' 108' ' ' LEU . 10.8 p -59.8 -28.11 39.84 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.367 0 CA-C-O 121.35 0.595 . . . . 0.0 110.932 -178.029 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 112' ' ' GLN . . . . . 0.446 ' HG3' ' O ' ' B' ' 108' ' ' LEU . 26.0 mt-30 -69.99 -23.97 63.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.056 -178.226 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 113' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -87.35 -25.58 23.8 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.738 -170.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 114' ' ' SER . . . . . 0.478 ' HB2' HD12 ' B' ' 58' ' ' ILE . 13.5 p -87.98 -43.56 11.66 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.857 -0.611 . . . . 0.0 112.186 -173.784 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 115' ' ' VAL . . . . . . . . . . . . . 13.1 p -108.63 -17.8 7.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-O 120.84 0.352 . . . . 0.0 111.385 -174.261 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 116' ' ' GLY . . . . . . . . . . . . . . . -61.8 -19.46 58.56 Favored Glycine 0 C--O 1.228 -0.276 0 C-N-CA 120.903 -0.665 . . . . 0.0 112.75 -178.576 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -97.53 12.13 34.49 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.747 0.308 . . . . 0.0 111.057 179.859 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 118' ' ' TYR . . . . . 0.533 ' HB3' HD23 ' B' ' 76' ' ' LEU . 64.4 m-85 -121.64 -26.66 4.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.97 0.414 . . . . 0.0 110.489 176.004 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 119' ' ' VAL . . . . . 0.507 ' O ' ' HB3' ' A' ' 22' ' ' SER . 29.8 m -84.34 -2.49 7.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.863 174.591 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.017 0 CA-C-O 118.123 -1.376 . . . . 0.0 110.52 177.1 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.664 0 N-CA-C 112.025 -0.43 . . . . 0.0 112.025 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 9.4 m -69.91 141.84 53.06 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.769 0.319 . . . . 0.0 110.666 -179.21 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . -168.36 150.26 15.82 Favored Glycine 0 N--CA 1.446 -0.66 0 C-N-CA 120.605 -0.807 . . . . 0.0 112.12 179.373 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' -2' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -83.31 63.88 7.48 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.201 0.524 . . . . 0.0 110.18 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 41.3 m -152.67 133.43 13.95 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.583 179.451 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 31.6 m -94.61 138.92 19.57 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-O 121.222 0.534 . . . . 0.0 111.547 -176.077 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 31.1 p -137.12 172.72 12.59 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.415 -0.811 . . . . 0.0 109.69 176.065 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.3 p -128.34 65.1 1.4 Allowed 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.08 0.467 . . . . 0.0 110.595 177.509 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 156.13 -152.92 24.31 Favored Glycine 0 N--CA 1.447 -0.569 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.174 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 123.07 174.51 14.31 Favored Glycine 0 N--CA 1.445 -0.726 0 C-N-CA 120.92 -0.657 . . . . 0.0 111.686 -179.253 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.51 ' O ' ' HB ' ' A' ' 10' ' ' THR . 30.7 p90 -68.46 -13.0 62.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.989 0.394 . . . . 0.0 111.184 -179.43 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -93.03 -7.14 62.73 Favored Glycine 0 N--CA 1.448 -0.519 0 C-N-CA 120.676 -0.773 . . . . 0.0 111.616 175.83 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 83.9 m-85 -133.9 54.08 1.97 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.959 0.409 . . . . 0.0 110.429 -179.326 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 119.17 58.24 0.26 Allowed Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 120.892 -0.67 . . . . 0.0 112.54 178.016 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.51 ' HB ' ' O ' ' A' ' 6' ' ' TYR . 8.9 t -84.46 -24.05 29.66 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.753 0.311 . . . . 0.0 111.205 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 49.9 m -155.31 160.97 41.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.685 0.278 . . . . 0.0 110.626 -178.129 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -96.67 172.57 7.82 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.916 -0.583 . . . . 0.0 109.841 175.692 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 58.15 28.26 16.21 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 121.179 0.514 . . . . 0.0 111.348 -178.648 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -122.83 166.58 14.76 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.023 -179.582 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -155.41 -173.09 23.69 Favored Glycine 0 N--CA 1.446 -0.651 0 C-N-CA 120.592 -0.813 . . . . 0.0 112.018 -178.658 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.408 ' HA ' ' OE2' ' A' ' 74' ' ' GLU . . . 62.98 89.57 0.09 Allowed 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 121.392 0.615 . . . . 0.0 111.164 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 67.16 48.31 59.9 Favored Glycine 0 N--CA 1.453 -0.193 0 CA-C-N 115.437 -0.802 . . . . 0.0 112.62 -177.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.485 ' CG2' ' HA ' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -87.16 -36.65 10.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 120.613 0.244 . . . . 0.0 111.572 178.458 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -141.09 -174.29 3.96 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.486 -0.324 . . . . 0.0 110.729 -178.167 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -100.14 36.43 1.85 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.988 0.423 . . . . 0.0 110.501 179.241 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.456 ' HA3' ' HA3' ' B' ' 21' ' ' GLY . . . 176.84 -41.96 0.1 Allowed Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 120.593 -0.813 . . . . 0.0 113.103 -177.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.451 ' HB3' ' O ' ' B' ' 119' ' ' VAL . 27.0 m -108.12 138.48 44.32 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.684 0.278 . . . . 0.0 111.518 -178.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.485 ' HA ' ' CG2' ' A' ' 18' ' ' VAL . 0.7 OUTLIER -152.43 127.04 9.42 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.116 179.599 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -86.04 -26.29 25.43 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 120.844 0.354 . . . . 0.0 110.911 176.528 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.67 -28.04 67.3 Favored Glycine 0 C--N 1.332 0.319 0 C-N-CA 120.864 -0.684 . . . . 0.0 112.534 -179.582 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.442 ' HB1' ' HB2' ' A' ' 78' ' ' GLN . . . -80.25 8.42 7.43 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.126 0.489 . . . . 0.0 111.107 179.391 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.501 HG22 ' CD1' ' A' ' 81' ' ' LEU . 3.4 t -116.7 -44.17 3.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.871 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 17.2 m120 -64.9 -23.78 67.33 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-O 120.942 0.401 . . . . 0.0 111.37 -175.894 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 15.5 ptm180 -86.43 5.44 35.09 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.426 -177.53 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.4 HD11 ' HB3' ' A' ' 81' ' ' LEU . 96.1 mt -75.07 -25.44 58.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.818 0.342 . . . . 0.0 110.692 178.815 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 14.6 p -78.83 -1.2 33.79 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.191 0.52 . . . . 0.0 110.81 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 35.0 t -87.89 170.55 11.06 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.656 177.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.34 -15.38 62.5 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.827 -179.428 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -53.08 -66.0 0.46 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.7 179.529 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.513 ' O ' HG23 ' A' ' 39' ' ' VAL . . . -67.69 -47.15 70.25 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.099 -178.771 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -55.82 -26.13 44.98 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.885 -175.442 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 23.0 t -86.22 -20.01 29.15 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 111.988 0.366 . . . . 0.0 111.988 179.633 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.485 ' HD2' ' OE1' ' A' ' 82' ' ' GLU . 68.6 mtt180 -98.02 -46.8 5.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.735 0.779 . . . . 0.0 109.504 -178.137 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.516 HG21 HD21 ' B' ' 108' ' ' LEU . 59.9 t -59.28 -43.87 90.88 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-N 114.383 -1.28 . . . . 0.0 111.324 -178.454 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.472 ' O ' HG12 ' A' ' 43' ' ' ILE . 77.7 p -69.63 -18.49 63.6 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.335 -176.598 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 41.7 t -84.41 -8.78 58.86 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.956 0.408 . . . . 0.0 110.545 -179.039 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 44.0 m-80 -122.54 -1.79 9.01 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.275 -174.488 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.515 HG13 ' N ' ' A' ' 44' ' ' ALA . 5.2 pt -62.19 -40.54 88.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.943 0.401 . . . . 0.0 110.67 177.868 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.515 ' N ' HG13 ' A' ' 43' ' ' ILE . . . -80.28 -6.65 58.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.202 0.525 . . . . 0.0 110.724 -177.636 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -86.97 -51.76 5.84 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.079 178.2 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.446 HG21 ' HB3' ' A' ' 87' ' ' LEU . 48.7 mt -65.33 -34.69 72.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.465 179.359 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.666 ' HB1' HD13 ' B' ' 96' ' ' ILE . . . -63.53 -16.43 60.72 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.261 178.645 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 35.5 t -108.21 -2.64 19.19 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.258 -176.376 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -132.86 -27.37 0.59 Allowed Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.017 -1.087 . . . . 0.0 113.799 -176.438 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 73.3 -78.09 0.84 Allowed Glycine 0 N--CA 1.447 -0.588 0 N-CA-C 111.447 -0.661 . . . . 0.0 111.447 -178.248 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -119.77 -21.07 7.38 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-O 120.993 0.425 . . . . 0.0 110.34 178.863 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 17.9 m -74.28 -10.04 59.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.547 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.412 ' HB3' ' HA ' ' A' ' 46' ' ' ILE . . . -95.42 -14.95 23.36 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.947 179.654 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.423 HD11 HG11 ' B' ' 88' ' ' VAL . 53.1 mt -56.21 -58.61 15.5 Favored Pre-proline 0 C--N 1.326 -0.439 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.888 -176.435 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.4 ' HD3' ' HB2' ' A' ' 54' ' ' LEU . 28.0 Cg_endo -63.81 -21.88 69.3 Favored 'Trans proline' 0 C--N 1.35 0.627 0 C-N-CA 121.84 1.693 . . . . 0.0 112.39 -177.532 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 15.4 m -82.34 -41.61 19.81 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 120.896 0.379 . . . . 0.0 110.449 179.02 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 78.2 t -83.56 -40.1 15.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.134 -173.664 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.557 HG12 ' HG ' ' A' ' 83' ' ' LEU . 49.7 mt -58.71 -43.8 88.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-O 121.021 0.439 . . . . 0.0 110.406 177.77 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 58.1 m -69.03 -28.33 66.46 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.751 -179.613 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 92.4 m-20 -64.36 -59.25 4.6 Favored 'General case' 0 CA--C 1.517 -0.315 0 CA-C-O 121.396 0.617 . . . . 0.0 110.453 174.825 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.486 ' O ' HG23 ' A' ' 65' ' ' VAL . 48.1 mt -65.46 -43.63 94.46 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 115.262 -0.881 . . . . 0.0 111.261 -175.709 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.439 ' O ' HG23 ' A' ' 66' ' ' VAL . 55.5 t80 -55.75 -52.33 64.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.51 -0.314 . . . . 0.0 110.523 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 18.4 t -62.96 -30.24 71.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.228 -179.697 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -65.81 -43.69 93.52 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 121.051 -0.595 . . . . 0.0 112.126 178.77 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.724 HG12 HG11 ' A' ' 70' ' ' VAL . 20.6 t -74.94 -42.32 46.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 120.723 0.297 . . . . 0.0 110.934 -179.248 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.508 ' HA ' HG12 ' A' ' 70' ' ' VAL . 75.1 t -58.7 -37.86 68.29 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.258 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.923 -179.457 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.8 -14.84 56.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.699 179.514 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 9.3 t -88.44 -3.45 58.82 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.608 -0.269 . . . . 0.0 110.955 -178.706 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 88.18 31.54 14.1 Favored Glycine 0 C--N 1.33 0.223 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.711 177.716 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.724 HG11 HG12 ' A' ' 65' ' ' VAL . 8.9 p -87.38 161.65 2.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 N-CA-C 110.231 -0.285 . . . . 0.0 110.231 178.412 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 44.5 t -70.29 156.36 39.38 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 110.399 -0.223 . . . . 0.0 110.399 176.24 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 12.5 m -60.1 -58.78 7.07 Favored 'General case' 0 CA--C 1.533 0.303 0 N-CA-C 112.149 0.426 . . . . 0.0 112.149 -174.743 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -70.25 -30.03 66.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.97 0.414 . . . . 0.0 110.003 -176.345 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.408 ' OE2' ' HA ' ' A' ' 16' ' ' ALA . 33.0 tt0 -68.58 -35.74 77.78 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.111 -0.495 . . . . 0.0 109.988 177.476 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.538 ' HB2' HG13 ' A' ' 70' ' ' VAL . . . -62.95 -41.67 99.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.477 175.437 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.458 HD23 ' HB3' ' A' ' 118' ' ' TYR . 3.0 tm? -56.69 -46.11 81.36 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.909 178.345 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.672 ' O ' ' HG ' ' A' ' 81' ' ' LEU . 44.4 mm -65.16 -57.14 12.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.672 179.78 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' GLN . . . . . 0.466 ' HG2' HG11 ' A' ' 65' ' ' VAL . 37.4 tp60 -51.81 -51.59 55.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.078 179.064 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.32 -38.6 91.61 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.514 -176.722 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.451 ' O ' HD23 ' A' ' 84' ' ' LEU . 7.7 mt -70.02 -39.86 75.56 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.658 -0.417 . . . . 0.0 111.175 179.814 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.707 HD22 HG11 ' B' ' 115' ' ' VAL . 15.5 mt -65.16 -37.77 88.43 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 120.986 0.422 . . . . 0.0 109.917 179.672 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.485 ' OE1' ' HD2' ' A' ' 38' ' ' ARG . 45.4 mt-10 -64.21 -41.94 96.83 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.346 171.349 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.557 ' HG ' HG12 ' A' ' 58' ' ' ILE . 3.5 tm? -62.44 -45.54 92.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.319 -179.173 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.451 HD23 ' O ' ' A' ' 80' ' ' LEU . 4.6 mm? -72.61 -2.53 20.33 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.645 -177.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 57.8 m -94.9 -35.29 12.09 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.982 0.42 . . . . 0.0 110.381 176.597 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.443 ' HB2' HG13 ' A' ' 39' ' ' VAL . . . -64.43 -45.17 88.67 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.849 -176.898 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.469 HD12 HG13 ' A' ' 88' ' ' VAL . 1.2 pp -80.23 -17.78 51.32 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 113.073 0.768 . . . . 0.0 113.073 -171.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.469 HG13 HD12 ' A' ' 87' ' ' LEU . 17.5 m -92.83 -22.07 5.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 C-N-CA 120.248 -0.581 . . . . 0.0 110.791 176.677 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 81.9 t60 -68.2 -37.48 80.93 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.036 176.335 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.521 ' HB ' ' CD1' ' B' ' 96' ' ' ILE . 25.6 m -64.56 -26.88 41.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.614 -174.41 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.641 ' HA ' ' HB3' ' A' ' 94' ' ' ALA . 3.5 mm? -64.75 -19.7 65.94 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.097 179.437 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 23.1 t -60.78 -27.1 67.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.089 179.583 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 10.0 t -127.12 10.3 6.88 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.257 0.551 . . . . 0.0 110.237 179.406 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.641 ' HB3' ' HA ' ' A' ' 91' ' ' LEU . . . -101.09 98.02 8.51 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.235 179.63 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 8.1 t -77.5 88.25 3.84 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.216 0.531 . . . . 0.0 109.847 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.718 HD13 ' HB1' ' B' ' 47' ' ' ALA . 18.5 tt -65.97 149.64 11.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.744 -177.899 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -97.24 -118.16 3.66 Favored Glycine 0 N--CA 1.446 -0.638 0 C-N-CA 120.968 -0.634 . . . . 0.0 111.808 176.103 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -104.0 129.4 51.6 Favored 'General case' 0 C--N 1.321 -0.635 0 O-C-N 122.764 -0.257 . . . . 0.0 110.494 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.434 ' CG1' HD11 ' A' ' 96' ' ' ILE . 2.4 m -125.36 121.95 61.65 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-O 120.947 0.403 . . . . 0.0 110.754 175.137 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 49.8 m -103.3 166.59 10.34 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.858 -179.046 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' SER . . . . . 0.404 ' CB ' ' HB2' ' B' ' 40' ' ' SER . 5.7 p -77.47 -11.64 59.87 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.957 -0.565 . . . . 0.0 112.075 -175.75 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 3.5 p -75.65 101.96 2.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-O 121.468 0.651 . . . . 0.0 111.363 -175.83 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 128.21 -14.85 6.19 Favored Glycine 0 N--CA 1.449 -0.451 0 CA-C-N 115.638 -0.71 . . . . 0.0 113.043 176.022 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.444 ' O ' HD12 ' A' ' 108' ' ' LEU . 23.3 t -58.31 -34.46 50.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.958 0.409 . . . . 0.0 110.018 177.635 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -56.05 -41.59 75.27 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.224 -0.898 . . . . 0.0 110.16 178.58 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 35.1 m -77.03 -39.05 51.57 Favored 'General case' 0 CA--C 1.529 0.138 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.632 -179.417 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 29.2 m -58.07 -35.82 71.92 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 121.237 0.542 . . . . 0.0 110.653 179.573 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.536 ' O ' HG12 ' A' ' 111' ' ' VAL . 1.6 mt -61.18 -24.58 66.42 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.451 -0.795 . . . . 0.0 111.916 178.32 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -72.07 -26.71 62.27 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.985 0.421 . . . . 0.0 110.373 179.275 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 23.0 t -84.79 -37.36 12.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.065 -176.094 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.536 HG12 ' O ' ' A' ' 108' ' ' LEU . 7.3 p -59.93 -29.2 42.78 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.237 0 CA-C-O 121.369 0.604 . . . . 0.0 110.399 -179.718 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 112' ' ' GLN . . . . . 0.487 ' HG3' ' O ' ' A' ' 108' ' ' LEU . 24.9 mt-30 -66.1 -21.7 66.37 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.413 -0.812 . . . . 0.0 111.056 -179.346 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -82.49 -37.48 25.25 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.58 -176.065 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 5.3 m -79.7 -41.88 25.85 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.29 -0.868 . . . . 0.0 111.887 -170.708 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.421 HG12 ' O ' ' A' ' 111' ' ' VAL . 8.2 p -110.98 -19.99 6.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-O 120.935 0.398 . . . . 0.0 111.647 -174.039 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -64.24 -16.39 60.13 Favored Glycine 0 CA--C 1.517 0.205 0 C-N-CA 121.223 -0.513 . . . . 0.0 113.12 -177.102 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -95.46 2.31 54.4 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.597 0.237 . . . . 0.0 111.161 179.493 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' TYR . . . . . 0.458 ' HB3' HD23 ' A' ' 76' ' ' LEU . 74.2 m-85 -111.15 -29.67 7.77 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.997 0.427 . . . . 0.0 110.614 177.004 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.414 HG21 HG21 ' B' ' 27' ' ' VAL . 32.0 m -84.86 -4.36 8.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.696 177.183 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.434 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.739 179.188 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.524 0 N-CA-C 112.107 -0.397 . . . . 0.0 112.107 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' -4' ' ' SER . . . . . . . . . . . . . 57.6 m -150.18 99.38 2.8 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.056 0.455 . . . . 0.0 111.071 179.239 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' -3' ' ' GLY . . . . . . . . . . . . . . . -97.8 80.68 0.64 Allowed Glycine 0 N--CA 1.443 -0.869 0 N-CA-C 110.38 -1.088 . . . . 0.0 110.38 173.773 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' -2' ' ' ASN . . . . . . . . . . . . . 17.7 m120 -70.53 87.6 0.66 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.308 0.575 . . . . 0.0 111.616 -172.518 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' -1' ' ' SER . . . . . . . . . . . . . 47.6 m -133.39 122.7 24.14 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.14 -0.936 . . . . 0.0 108.673 171.751 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 49.1 t -63.13 109.07 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.966 -175.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 18.9 p -133.19 170.52 15.3 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.89 179.705 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 2.7 m -91.08 18.74 6.43 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.805 -178.303 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . 98.01 -36.7 3.82 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.94 -0.647 . . . . 0.0 112.264 -177.445 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . 64.72 -128.38 34.93 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 121.101 -0.571 . . . . 0.0 112.481 177.811 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 6' ' ' TYR . . . . . 0.487 ' O ' ' HB ' ' B' ' 10' ' ' THR . 29.8 p90 -72.29 -11.44 60.71 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.818 0.342 . . . . 0.0 111.159 179.599 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -74.47 -28.32 63.83 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.539 -0.838 . . . . 0.0 111.069 176.309 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 77.1 m-85 -135.6 70.29 1.43 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.346 0.593 . . . . 0.0 109.651 176.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 134.45 52.66 0.07 OUTLIER Glycine 0 N--CA 1.448 -0.518 0 CA-C-N 115.34 -0.845 . . . . 0.0 112.456 177.842 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 10' ' ' THR . . . . . 0.487 ' HB ' ' O ' ' B' ' 6' ' ' TYR . 13.9 t -108.63 5.7 25.2 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.107 0.48 . . . . 0.0 110.792 179.53 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 32.9 m -148.07 144.77 28.11 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.485 -178.151 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -85.39 154.22 22.0 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.113 177.179 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . 54.86 57.45 5.64 Favored 'General case' 0 N--CA 1.463 0.175 0 O-C-N 123.589 0.555 . . . . 0.0 111.222 -177.753 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -107.91 163.95 12.68 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.215 0.531 . . . . 0.0 111.294 -177.205 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . -155.92 148.56 18.83 Favored Glycine 0 N--CA 1.444 -0.794 0 N-CA-C 111.176 -0.77 . . . . 0.0 111.176 179.431 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 16' ' ' ALA . . . . . 0.625 ' HA ' ' OE1' ' B' ' 74' ' ' GLU . . . 67.33 104.19 0.05 OUTLIER 'General case' 0 N--CA 1.463 0.204 0 C-N-CA 123.043 0.537 . . . . 0.0 111.056 -177.359 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 73.76 46.09 25.29 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.718 -0.753 . . . . 0.0 111.88 -176.183 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 46.1 t -92.85 -61.05 2.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-O 120.91 0.386 . . . . 0.0 111.179 -179.448 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -128.74 -164.57 1.4 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.618 -176.663 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -93.96 -13.96 26.47 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.675 0.274 . . . . 0.0 111.098 179.086 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 21' ' ' GLY . . . . . 0.456 ' HA3' ' HA3' ' A' ' 21' ' ' GLY . . . -153.64 16.02 0.64 Allowed Glycine 0 C--O 1.229 -0.191 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.354 176.873 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 37.5 m -137.48 125.16 22.33 Favored 'General case' 0 N--CA 1.447 -0.608 0 CA-C-O 120.678 0.275 . . . . 0.0 110.81 179.21 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 23' ' ' TYR . . . . . 0.471 ' CE1' ' HA ' ' B' ' 74' ' ' GLU . 1.1 m-85 -151.7 119.24 6.05 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-N 116.233 -0.44 . . . . 0.0 109.906 179.609 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.48 -30.16 53.0 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-O 121.177 0.513 . . . . 0.0 110.824 177.639 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.32 -28.52 67.2 Favored Glycine 0 CA--C 1.518 0.23 0 CA-C-N 116.045 -0.525 . . . . 0.0 112.959 -177.241 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 26' ' ' ALA . . . . . 0.512 ' HB1' ' HB2' ' B' ' 78' ' ' GLN . . . -72.33 -19.82 61.58 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.217 0.532 . . . . 0.0 110.381 179.501 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 27' ' ' VAL . . . . . 0.459 HG22 HD11 ' B' ' 81' ' ' LEU . 3.1 t -89.56 -39.1 12.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.368 -178.013 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 30.4 m120 -67.86 -17.61 64.55 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.031 0.382 . . . . 0.0 112.031 -175.502 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 12.8 ptm180 -96.06 11.16 35.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.682 0.277 . . . . 0.0 111.246 -177.517 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 30' ' ' LEU . . . . . 0.533 HD11 ' HB3' ' B' ' 81' ' ' LEU . 86.8 mt -81.17 -23.65 38.09 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.065 0.46 . . . . 0.0 110.658 -179.805 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 8.5 p -75.39 -3.15 32.02 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.499 0.666 . . . . 0.0 110.265 177.204 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 48.3 t -84.94 154.19 22.35 Favored 'General case' 0 N--CA 1.447 -0.624 0 CA-C-N 115.16 -0.927 . . . . 0.0 110.002 178.842 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.94 -22.36 62.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.148 -179.292 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -49.52 -58.27 5.51 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.286 -0.87 . . . . 0.0 110.944 178.691 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 35' ' ' ALA . . . . . 0.685 ' O ' HG23 ' B' ' 39' ' ' VAL . . . -63.3 -54.02 43.62 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.276 -0.875 . . . . 0.0 110.666 179.279 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.11 -34.05 20.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.07 -0.514 . . . . 0.0 112.344 -174.59 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 20.1 m -74.86 -20.9 59.54 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 111.852 0.316 . . . . 0.0 111.852 -177.831 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 38' ' ' ARG . . . . . 0.483 ' HD2' ' OE1' ' B' ' 82' ' ' GLU . 59.3 mtt180 -97.65 -44.66 6.68 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.768 0.794 . . . . 0.0 109.419 -179.087 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 39' ' ' VAL . . . . . 0.685 HG23 ' O ' ' B' ' 35' ' ' ALA . 21.4 t -62.45 -44.19 99.03 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.827 0 CA-C-N 114.349 -1.296 . . . . 0.0 111.12 -175.787 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 40' ' ' SER . . . . . 0.46 ' O ' HG12 ' B' ' 43' ' ' ILE . 78.2 p -68.93 -19.59 64.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.312 0.577 . . . . 0.0 110.868 -179.884 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 43.4 t -79.4 -10.07 59.73 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.44 -179.258 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 43.3 m-80 -124.29 -2.44 8.06 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.643 -175.202 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 43' ' ' ILE . . . . . 0.521 HG13 ' N ' ' B' ' 44' ' ' ALA . 4.6 pt -61.77 -41.54 90.98 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-O 120.787 0.327 . . . . 0.0 110.662 177.856 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 44' ' ' ALA . . . . . 0.521 ' N ' HG13 ' B' ' 43' ' ' ILE . . . -78.54 -11.14 59.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.022 0.439 . . . . 0.0 110.939 -177.119 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -84.28 -52.77 5.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.056 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 46' ' ' ILE . . . . . 0.422 HG21 ' HB3' ' B' ' 87' ' ' LEU . 45.0 mt -64.64 -35.2 74.11 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.344 179.413 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 47' ' ' ALA . . . . . 0.718 ' HB1' HD13 ' A' ' 96' ' ' ILE . . . -64.84 -20.17 66.26 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.575 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 22.7 t -97.17 -27.95 14.32 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.451 -174.868 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -115.15 -17.63 6.66 Favored Glycine 0 C--N 1.331 0.285 0 C-N-CA 120.454 -0.879 . . . . 0.0 113.521 -175.813 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 75.57 -80.08 1.05 Allowed Glycine 0 N--CA 1.448 -0.524 0 N-CA-C 111.613 -0.595 . . . . 0.0 111.613 179.655 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -118.7 -15.06 9.52 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-N 115.096 -0.552 . . . . 0.0 110.21 178.424 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 27.2 t -71.88 -17.15 62.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.833 -0.621 . . . . 0.0 109.901 -179.549 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -94.49 -13.36 26.22 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.341 -178.108 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 54' ' ' LEU . . . . . 0.463 ' N ' ' HD2' ' B' ' 55' ' ' PRO . 32.1 mt -54.08 -57.69 16.91 Favored Pre-proline 0 CA--C 1.534 0.352 0 N-CA-C 112.014 0.376 . . . . 0.0 112.014 -176.03 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 55' ' ' PRO . . . . . 0.463 ' HD2' ' N ' ' B' ' 54' ' ' LEU . 18.5 Cg_endo -58.91 -26.11 79.69 Favored 'Trans proline' 0 C--N 1.355 0.87 0 C-N-CA 122.407 2.071 . . . . 0.0 112.385 -177.661 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 50.6 m -86.56 -42.83 13.18 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.986 -178.685 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 57.3 t -74.11 -39.61 50.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.383 -173.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 58' ' ' ILE . . . . . 0.444 HG12 ' HG ' ' B' ' 83' ' ' LEU . 50.1 mt -61.04 -39.43 82.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.063 176.111 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 31.0 t -68.87 -33.17 73.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.942 0.401 . . . . 0.0 110.185 179.551 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 95.8 m-20 -64.41 -54.0 39.69 Favored 'General case' 0 CA--C 1.519 -0.249 0 CA-C-O 121.277 0.56 . . . . 0.0 110.53 178.225 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 61' ' ' ILE . . . . . 0.488 ' O ' HG23 ' B' ' 65' ' ' VAL . 58.9 mt -70.28 -45.48 75.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-N 115.434 -0.803 . . . . 0.0 111.452 -176.164 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 62' ' ' TYR . . . . . 0.54 ' O ' HG23 ' B' ' 66' ' ' VAL . 46.0 t80 -54.65 -55.28 31.25 Favored 'General case' 0 C--N 1.331 -0.198 0 O-C-N 123.171 0.294 . . . . 0.0 110.874 -178.129 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 22.1 t -61.3 -32.6 72.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.914 0.388 . . . . 0.0 110.307 -178.622 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -66.66 -41.07 94.1 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.812 -0.709 . . . . 0.0 111.803 179.44 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 65' ' ' VAL . . . . . 0.656 HG12 HG11 ' B' ' 70' ' ' VAL . 48.7 t -69.91 -41.87 79.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 120.798 0.332 . . . . 0.0 110.454 177.604 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 66' ' ' VAL . . . . . 0.54 HG23 ' O ' ' B' ' 62' ' ' TYR . 87.3 t -60.37 -40.07 82.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.859 179.71 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -72.86 -5.81 40.78 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.729 -179.735 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 21.0 t -86.42 -15.73 39.4 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.535 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 98.36 33.41 5.68 Favored Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.609 -0.805 . . . . 0.0 112.268 -179.417 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.656 HG11 HG12 ' B' ' 65' ' ' VAL . 12.3 p -86.89 160.94 2.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 N-CA-C 110.195 -0.298 . . . . 0.0 110.195 178.364 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 22.8 t -66.06 147.9 52.63 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 173.739 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 9.9 m -52.17 -60.16 3.53 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 113.267 0.839 . . . . 0.0 113.267 -171.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -82.14 -13.5 57.12 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.441 -0.503 . . . . 0.0 110.657 -174.882 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 74' ' ' GLU . . . . . 0.625 ' OE1' ' HA ' ' B' ' 16' ' ' ALA . 36.1 tt0 -74.35 -29.95 61.8 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 175.716 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -57.75 -36.72 72.47 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 115.089 -0.96 . . . . 0.0 110.819 177.199 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 76' ' ' LEU . . . . . 0.517 HD23 ' HB3' ' B' ' 118' ' ' TYR . 3.0 tm? -57.07 -51.74 68.08 Favored 'General case' 0 CA--C 1.518 -0.251 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.145 178.557 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 77' ' ' ILE . . . . . 0.713 ' O ' ' HG ' ' B' ' 81' ' ' LEU . 33.9 mm -62.6 -54.2 37.13 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-N 115.899 -0.592 . . . . 0.0 111.149 -177.064 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 78' ' ' GLN . . . . . 0.512 ' HB2' ' HB1' ' B' ' 26' ' ' ALA . 19.4 tt0 -57.78 -47.43 82.56 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 121.045 -0.262 . . . . 0.0 111.161 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -59.29 -41.42 88.93 Favored 'General case' 0 CA--C 1.517 -0.319 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.487 179.552 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 80' ' ' LEU . . . . . 0.565 ' O ' HD13 ' B' ' 84' ' ' LEU . 2.1 mm? -62.9 -50.66 69.98 Favored 'General case' 0 N--CA 1.446 -0.632 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.785 176.467 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 81' ' ' LEU . . . . . 0.713 ' HG ' ' O ' ' B' ' 77' ' ' ILE . 38.7 mt -54.62 -45.3 73.67 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.853 0.359 . . . . 0.0 111.19 -178.701 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 82' ' ' GLU . . . . . 0.483 ' OE1' ' HD2' ' B' ' 38' ' ' ARG . 59.2 mt-10 -66.57 -35.15 79.51 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.736 177.718 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 83' ' ' LEU . . . . . 0.444 ' HG ' HG12 ' B' ' 58' ' ' ILE . 3.4 tm? -64.37 -45.88 85.8 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.133 -0.485 . . . . 0.0 109.963 174.577 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 84' ' ' LEU . . . . . 0.565 HD13 ' O ' ' B' ' 80' ' ' LEU . 10.9 mp -62.09 -14.87 40.77 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.403 -0.817 . . . . 0.0 111.556 -179.733 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 42.6 m -93.53 -33.48 13.75 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.916 0.388 . . . . 0.0 111.399 -175.694 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -68.32 -41.12 81.28 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.207 0.527 . . . . 0.0 111.027 -176.012 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 87' ' ' LEU . . . . . 0.465 HD12 ' N ' ' B' ' 88' ' ' VAL . 1.0 OUTLIER -83.78 -18.0 39.21 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 112.904 0.705 . . . . 0.0 112.904 -172.086 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 88' ' ' VAL . . . . . 0.465 ' N ' HD12 ' B' ' 87' ' ' LEU . 18.5 m -89.76 -21.68 6.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 C-N-CA 120.204 -0.599 . . . . 0.0 110.47 177.034 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 89' ' ' HIS . . . . . . . . . . . . . 71.1 t60 -72.28 -37.16 69.09 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.155 177.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 90' ' ' VAL . . . . . . . . . . . . . 33.2 m -64.14 -27.39 42.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 C-N-CA 120.797 -0.361 . . . . 0.0 111.814 -175.773 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 91' ' ' LEU . . . . . 0.628 ' HA ' ' HB3' ' B' ' 94' ' ' ALA . 3.0 mm? -66.45 -20.14 65.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.659 0.266 . . . . 0.0 110.949 179.464 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 18.9 t -64.51 -14.89 59.57 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.96 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 22.7 t -142.95 23.14 1.9 Allowed 'General case' 0 C--O 1.236 0.361 0 CA-C-O 121.484 0.659 . . . . 0.0 109.978 176.067 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 94' ' ' ALA . . . . . 0.628 ' HB3' ' HA ' ' B' ' 91' ' ' LEU . . . -106.23 98.52 8.19 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.861 177.068 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 19.8 m -67.92 85.06 0.22 Allowed 'General case' 0 N--CA 1.428 -1.529 0 CA-C-N 115.921 -0.582 . . . . 0.0 111.096 178.533 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 96' ' ' ILE . . . . . 0.666 HD13 ' HB1' ' A' ' 47' ' ' ALA . 19.7 tt -73.71 139.99 18.47 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.492 0 CA-C-O 121.019 0.438 . . . . 0.0 111.051 177.374 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 97' ' ' GLY . . . . . . . . . . . . . . . -97.85 -101.59 2.15 Favored Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.756 -179.241 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 98' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -117.3 109.86 17.36 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.669 0.271 . . . . 0.0 111.096 -176.113 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 99' ' ' VAL . . . . . 0.424 ' CG1' HD11 ' B' ' 96' ' ' ILE . 3.3 m -108.41 149.79 11.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.489 174.537 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 100' ' ' SER . . . . . . . . . . . . . 49.9 m -140.92 168.15 20.47 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.034 -179.326 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 101' ' ' SER . . . . . 0.469 ' CB ' ' HB2' ' A' ' 40' ' ' SER . 10.8 p -70.33 -6.52 35.79 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 112.501 0.556 . . . . 0.0 112.501 -174.825 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 7.3 p -76.65 106.74 6.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 121.706 0.765 . . . . 0.0 111.59 -176.05 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . 116.83 -11.01 15.53 Favored Glycine 0 N--CA 1.449 -0.46 0 CA-C-N 115.471 -0.786 . . . . 0.0 113.627 172.435 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 104' ' ' VAL . . . . . . . . . . . . . 26.1 t -57.75 -34.9 49.03 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.258 0 CA-C-O 120.97 0.414 . . . . 0.0 110.328 178.55 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -53.42 -38.51 63.54 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 114.99 -1.005 . . . . 0.0 110.364 178.408 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 5.8 m -80.57 -37.95 30.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.435 -0.802 . . . . 0.0 111.506 -176.39 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 24.1 m -60.82 -35.34 76.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.195 0.521 . . . . 0.0 110.258 179.295 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 108' ' ' LEU . . . . . 0.516 HD21 HG21 ' A' ' 39' ' ' VAL . 3.1 mt -62.53 -22.67 66.48 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.892 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 109' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -70.22 -27.92 64.86 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.034 0.445 . . . . 0.0 110.181 178.55 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 110' ' ' VAL . . . . . . . . . . . . . 18.8 t -84.78 -37.22 12.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.138 -175.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 111' ' ' VAL . . . . . 0.513 ' O ' HG12 ' B' ' 115' ' ' VAL . 7.5 p -62.12 -31.82 52.62 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.359 0 CA-C-O 121.222 0.534 . . . . 0.0 110.27 -178.325 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 112' ' ' GLN . . . . . 0.462 ' HG2' HG12 ' A' ' 27' ' ' VAL . 25.6 mt-30 -66.76 -25.6 66.57 Favored 'General case' 0 CA--C 1.521 -0.155 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.518 179.751 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 113' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -80.4 -32.87 37.42 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.175 -0.921 . . . . 0.0 111.125 -175.151 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 5.8 m -85.04 -37.25 20.57 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.619 -0.719 . . . . 0.0 112.031 -172.236 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 115' ' ' VAL . . . . . 0.707 HG11 HD22 ' A' ' 81' ' ' LEU . 14.8 p -111.93 -20.15 6.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-O 120.761 0.315 . . . . 0.0 111.75 -174.058 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 116' ' ' GLY . . . . . . . . . . . . . . . -61.83 -23.38 63.29 Favored Glycine 0 C--N 1.33 0.227 0 C-N-CA 121.26 -0.495 . . . . 0.0 113.246 -175.734 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -86.49 1.82 50.13 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.579 0.228 . . . . 0.0 111.43 -178.255 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 118' ' ' TYR . . . . . 0.517 ' HB3' HD23 ' B' ' 76' ' ' LEU . 86.3 m-85 -114.32 -31.51 6.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.74 0.305 . . . . 0.0 111.073 178.409 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 119' ' ' VAL . . . . . 0.485 HG21 HG21 ' A' ' 27' ' ' VAL . 27.2 m -83.31 -2.33 6.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.421 179.48 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.976 0 CA-C-O 118.072 -1.404 . . . . 0.0 110.894 177.869 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.767 0 N-CA-C 111.86 -0.496 . . . . 0.0 111.86 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 19.6 m 56.92 80.32 0.16 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.271 0.558 . . . . 0.0 111.396 -178.716 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . 100.75 -167.64 19.98 Favored Glycine 0 N--CA 1.446 -0.697 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.848 -178.877 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' -2' ' ' ASN . . . . . . . . . . . . . 26.5 t-20 -144.29 -62.63 0.38 Allowed 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.968 0.413 . . . . 0.0 110.41 -179.318 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 41.1 m -132.09 103.24 6.16 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.023 178.247 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 11.9 m -73.96 107.0 4.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 121.512 0.672 . . . . 0.0 111.758 -178.682 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.448 ' HA ' ' HA ' ' B' ' 2' ' ' THR . 13.9 t -156.37 144.11 19.4 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.388 175.506 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.0 p -145.42 -69.86 0.28 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.906 0.384 . . . . 0.0 111.537 -175.865 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 162.37 -155.7 27.08 Favored Glycine 0 N--CA 1.447 -0.571 0 C-N-CA 121.135 -0.555 . . . . 0.0 111.846 -178.456 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 103.85 19.31 12.11 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.909 -0.663 . . . . 0.0 112.143 -178.396 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 50.6 p90 -142.69 -174.1 4.06 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 110.286 -0.265 . . . . 0.0 110.286 -179.627 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.533 ' O ' ' HA ' ' A' ' 19' ' ' ALA . . . 113.86 -99.28 0.96 Allowed Glycine 0 N--CA 1.447 -0.572 0 N-CA-C 111.172 -0.771 . . . . 0.0 111.172 -176.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -98.68 -6.66 29.24 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.2 0.524 . . . . 0.0 110.036 174.245 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -115.72 26.67 8.79 Favored Glycine 0 N--CA 1.446 -0.677 0 C-N-CA 120.829 -0.7 . . . . 0.0 112.39 -178.437 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 5.5 t -83.27 -30.49 27.57 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.945 0.403 . . . . 0.0 109.977 178.599 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.512 ' O ' ' HA ' ' A' ' 18' ' ' VAL . 49.3 m -155.49 103.73 2.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.025 -0.534 . . . . 0.0 109.839 172.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -84.85 99.81 11.16 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 120.884 0.373 . . . . 0.0 110.676 -179.084 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -151.09 -166.71 2.61 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.303 -178.587 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.41 -12.58 60.55 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.141 0.496 . . . . 0.0 111.159 176.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.481 ' HA3' ' H ' ' A' ' 25' ' ' GLY . . . 157.96 -153.34 24.54 Favored Glycine 0 N--CA 1.446 -0.639 0 C-N-CA 120.958 -0.639 . . . . 0.0 111.726 179.638 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 59.36 41.28 19.93 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-O 121.016 0.436 . . . . 0.0 111.798 176.425 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.432 ' O ' ' HB2' ' A' ' 11' ' ' SER . . . 122.99 23.0 2.3 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.929 178.577 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.522 ' CG2' ' HA ' ' A' ' 23' ' ' TYR . 0.3 OUTLIER -63.04 -53.32 47.96 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.263 0 CA-C-O 121.042 0.449 . . . . 0.0 111.384 178.495 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.533 ' HA ' ' O ' ' A' ' 7' ' ' GLY . . . -117.89 167.32 11.53 Favored 'General case' 0 N--CA 1.446 -0.645 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.187 179.709 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.51 -39.65 94.99 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.06 179.691 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -131.92 23.0 4.22 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.396 -0.907 . . . . 0.0 113.203 -177.406 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.448 ' HB3' ' O ' ' B' ' 119' ' ' VAL . 24.9 m -147.72 136.59 22.01 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.699 0.285 . . . . 0.0 110.621 178.588 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.522 ' HA ' ' CG2' ' A' ' 18' ' ' VAL . 0.2 OUTLIER -149.48 131.77 15.55 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.268 -177.728 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -96.76 -17.15 20.47 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.574 179.82 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.481 ' H ' ' HA3' ' A' ' 15' ' ' GLY . . . -59.15 -35.24 83.36 Favored Glycine 0 C--N 1.332 0.34 0 C-N-CA 120.865 -0.683 . . . . 0.0 111.981 -177.519 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.7 ' HB1' ' HB2' ' A' ' 78' ' ' GLN . . . -63.67 -24.44 67.79 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.222 -0.489 . . . . 0.0 111.292 177.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.509 HG22 ' CD1' ' A' ' 81' ' ' LEU . 2.6 t -91.4 -42.89 13.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.072 -172.045 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 20.0 m120 -63.64 -26.42 68.67 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 120.916 0.388 . . . . 0.0 111.001 -175.697 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 12.7 ptm180 -86.58 1.92 50.01 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.782 -175.792 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 93.3 mt -73.19 -24.14 60.5 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.948 0.404 . . . . 0.0 110.996 -179.055 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 17.0 p -80.6 1.01 31.54 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.142 -179.032 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 22.8 m -91.12 169.71 10.62 Favored 'General case' 0 N--CA 1.442 -0.85 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.362 177.42 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.38 -18.35 61.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.796 -179.53 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -53.72 -61.86 2.03 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.946 -178.882 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.515 ' O ' HG23 ' A' ' 39' ' ' VAL . . . -68.12 -49.34 61.72 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.268 -178.602 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -51.01 -35.48 34.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 112.082 -174.862 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 21.7 t -78.86 -21.67 47.19 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.919 -177.316 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.449 ' HD2' ' OE1' ' A' ' 82' ' ' GLU . 65.0 mtt180 -95.45 -44.06 7.71 Favored 'General case' 0 CA--C 1.515 -0.392 0 CA-C-O 121.925 0.869 . . . . 0.0 109.42 -177.808 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.515 HG23 ' O ' ' A' ' 35' ' ' ALA . 59.2 t -63.55 -38.19 81.59 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.813 0 CA-C-N 114.16 -1.382 . . . . 0.0 110.927 -177.196 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.494 ' O ' HG12 ' A' ' 43' ' ' ILE . 79.5 p -69.35 -20.08 63.85 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.107 0.48 . . . . 0.0 110.921 179.698 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 39.5 t -85.2 -7.92 58.81 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.639 -177.825 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 41.3 m-80 -122.69 -1.97 8.91 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.524 -175.335 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.53 HG13 ' N ' ' A' ' 44' ' ' ALA . 5.5 pt -61.77 -42.19 93.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.931 0.396 . . . . 0.0 111.069 177.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.53 ' N ' HG13 ' A' ' 43' ' ' ILE . . . -76.54 -16.41 59.63 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.012 0.434 . . . . 0.0 110.663 -176.091 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -79.66 -52.37 8.05 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.185 -178.752 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.496 HG21 ' HB3' ' A' ' 87' ' ' LEU . 34.6 mt -66.36 -32.87 60.02 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.246 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.221 179.633 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.688 ' HB1' HD13 ' B' ' 96' ' ' ILE . . . -64.29 -25.34 68.01 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.676 179.078 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 33.4 t -91.65 -38.54 12.38 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.033 -178.225 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -92.97 -31.19 8.72 Favored Glycine 0 CA--C 1.518 0.265 0 C-N-CA 120.737 -0.745 . . . . 0.0 113.525 -175.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 79.14 -73.06 2.39 Favored Glycine 0 N--CA 1.449 -0.447 0 N-CA-C 111.417 -0.673 . . . . 0.0 111.417 -177.058 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -122.44 -25.77 4.72 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.955 0.407 . . . . 0.0 110.879 -179.728 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 11.1 p -70.43 -15.9 62.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.186 0.517 . . . . 0.0 110.806 -178.576 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -88.59 -16.02 33.58 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.759 -178.207 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.454 HD11 HG11 ' B' ' 88' ' ' VAL . 48.6 mt -55.28 -57.77 18.55 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.783 -177.53 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.432 ' HD2' ' N ' ' A' ' 54' ' ' LEU . 19.5 Cg_endo -60.79 -23.9 77.67 Favored 'Trans proline' 0 C--N 1.354 0.817 0 C-N-CA 121.991 1.794 . . . . 0.0 112.535 -178.487 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 30.3 m -85.6 -44.09 12.92 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.782 0.325 . . . . 0.0 111.186 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 76.3 t -76.65 -38.31 30.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.723 -172.628 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.498 HG12 ' HG ' ' A' ' 83' ' ' LEU . 59.2 mt -59.17 -39.54 78.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.022 176.368 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 35.4 t -68.97 -36.96 78.48 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.073 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -61.1 -54.22 47.39 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-O 121.257 0.551 . . . . 0.0 110.606 178.176 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.47 ' O ' HG23 ' A' ' 65' ' ' VAL . 60.7 mt -68.16 -45.18 83.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 115.446 -0.797 . . . . 0.0 111.386 -176.749 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.45 ' O ' HG23 ' A' ' 66' ' ' VAL . 54.5 t80 -54.66 -49.22 71.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.792 0.33 . . . . 0.0 110.73 -177.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 19.7 m -60.09 -34.35 73.34 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.813 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -71.35 -41.3 59.12 Favored Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 120.611 -0.804 . . . . 0.0 111.464 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.797 HG12 HG11 ' A' ' 70' ' ' VAL . 61.5 t -65.06 -47.7 86.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-O 120.987 0.422 . . . . 0.0 110.909 178.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.51 ' HA ' HG12 ' A' ' 70' ' ' VAL . 91.0 t -60.84 -40.75 86.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.889 -179.222 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.76 -19.1 65.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.9 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 67.5 m -74.21 -25.16 59.51 Favored 'General case' 0 N--CA 1.444 -0.755 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.752 -179.086 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 106.34 37.08 2.53 Favored Glycine 0 N--CA 1.453 -0.185 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.278 -177.446 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.797 HG11 HG12 ' A' ' 65' ' ' VAL . 11.6 p -89.91 162.4 2.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 N-CA-C 109.908 -0.405 . . . . 0.0 109.908 178.136 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.405 ' N ' HG22 ' A' ' 70' ' ' VAL . 25.7 t -67.42 146.18 54.27 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.568 -0.531 . . . . 0.0 109.568 174.113 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 43.0 m -53.59 -46.35 70.32 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.606 0.595 . . . . 0.0 112.606 -173.891 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.415 ' HB3' ' OH ' ' A' ' 23' ' ' TYR . 2.0 t30 -85.44 -28.29 25.16 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.254 -0.578 . . . . 0.0 110.768 -175.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.425 ' CG ' ' HB2' ' A' ' 26' ' ' ALA . 43.4 tt0 -68.75 -27.4 65.88 Favored 'General case' 0 C--O 1.234 0.254 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 177.339 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -55.98 -38.82 70.93 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.103 176.513 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.591 HD23 ' HB3' ' A' ' 118' ' ' TYR . 3.0 tm? -57.19 -52.51 65.03 Favored 'General case' 0 CA--C 1.518 -0.277 0 CA-C-O 121.3 0.571 . . . . 0.0 109.525 177.098 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.612 ' O ' ' HG ' ' A' ' 81' ' ' LEU . 36.1 mm -60.67 -54.17 38.91 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-N 115.156 -0.929 . . . . 0.0 111.018 -177.401 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' GLN . . . . . 0.7 ' HB2' ' HB1' ' A' ' 26' ' ' ALA . 24.9 tt0 -58.24 -46.28 86.24 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.552 -0.295 . . . . 0.0 111.202 -179.558 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.2 -42.16 98.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.795 0.331 . . . . 0.0 110.536 -179.202 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.701 ' O ' ' HG ' ' A' ' 84' ' ' LEU . 3.6 mm? -65.44 -43.18 91.23 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.036 177.662 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.658 HD22 HG11 ' B' ' 115' ' ' VAL . 14.8 mt -66.69 -41.55 87.89 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.626 0.25 . . . . 0.0 111.43 -177.119 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.449 ' OE1' ' HD2' ' A' ' 38' ' ' ARG . 54.0 mt-10 -64.34 -35.87 82.28 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.109 0.48 . . . . 0.0 110.281 173.93 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.498 ' HG ' HG12 ' A' ' 58' ' ' ILE . 3.4 tm? -62.48 -43.73 98.09 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.901 175.374 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.701 ' HG ' ' O ' ' A' ' 80' ' ' LEU . 13.2 mt -64.77 -15.28 61.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.136 -177.769 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 34.9 m -91.77 -32.74 15.27 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 120.918 0.39 . . . . 0.0 110.826 -174.786 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.431 ' O ' HG13 ' A' ' 90' ' ' VAL . . . -68.32 -40.11 81.75 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.025 -176.273 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.496 ' HB3' HG21 ' A' ' 46' ' ' ILE . 1.2 pp -84.9 -16.6 40.58 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 112.944 0.72 . . . . 0.0 112.944 -172.298 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.448 HG13 HD12 ' A' ' 87' ' ' LEU . 16.9 m -93.37 -22.45 5.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 C-N-CA 120.197 -0.601 . . . . 0.0 110.613 176.213 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 74.8 t60 -69.55 -34.39 74.14 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.248 -0.433 . . . . 0.0 109.915 177.141 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.536 ' HA ' HG11 ' B' ' 99' ' ' VAL . 26.7 m -65.31 -26.64 40.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.432 -177.116 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.603 ' HA ' ' HB3' ' A' ' 94' ' ' ALA . 3.1 mm? -63.94 -19.6 65.25 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-O 120.876 0.369 . . . . 0.0 110.923 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 25.7 t -64.82 -23.17 67.15 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.02 179.085 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 8.1 t -131.99 14.96 4.74 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.81 0.814 . . . . 0.0 110.066 178.88 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.603 ' HB3' ' HA ' ' A' ' 91' ' ' LEU . . . -103.25 96.09 6.54 Favored 'General case' 0 N--CA 1.445 -0.684 0 CA-C-N 115.603 -0.726 . . . . 0.0 109.683 177.868 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 10.6 t -70.67 85.79 0.65 Allowed 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.076 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.697 HD13 ' HB1' ' B' ' 47' ' ' ALA . 15.4 tt -69.65 135.71 27.71 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.465 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.954 179.113 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -85.82 -90.78 0.89 Allowed Glycine 0 N--CA 1.447 -0.631 0 C-N-CA 120.856 -0.688 . . . . 0.0 112.212 -179.02 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 8.8 t30 -142.73 125.89 16.42 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 110.259 -0.274 . . . . 0.0 110.259 179.266 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.46 HG12 ' HB2' ' B' ' 93' ' ' SER . 8.9 m -107.04 143.18 18.14 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.749 179.57 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 49.0 m -105.42 141.37 37.04 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.509 -179.189 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 44.9 m -81.69 54.5 2.41 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.265 -177.836 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 7.1 p -150.83 133.62 6.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-O 120.873 0.368 . . . . 0.0 110.729 -179.343 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 101.37 -0.66 53.69 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.871 -0.681 . . . . 0.0 112.25 178.502 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 20.4 t -64.41 -30.2 49.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.663 0.268 . . . . 0.0 110.506 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -49.74 -46.55 50.57 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-O 121.524 0.678 . . . . 0.0 109.834 175.699 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 15.5 m -66.66 -37.45 84.82 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.429 -0.805 . . . . 0.0 111.532 -178.806 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 22.3 m -64.49 -40.77 96.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.213 0.53 . . . . 0.0 110.458 179.054 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.588 ' O ' HG12 ' A' ' 111' ' ' VAL . 4.0 mt -60.36 -38.54 84.17 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.287 -0.869 . . . . 0.0 111.198 178.268 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 14.7 m-80 -59.64 -26.31 65.41 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.489 177.462 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 39.9 t -87.55 -37.92 11.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.359 -178.098 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.588 HG12 ' O ' ' A' ' 108' ' ' LEU . 9.9 p -63.35 -23.7 33.99 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.243 0 CA-C-O 121.472 0.654 . . . . 0.0 110.557 -178.249 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 112' ' ' GLN . . . . . 0.554 ' HG2' HG12 ' B' ' 27' ' ' VAL . 21.3 mt-30 -70.58 -19.39 62.87 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.926 179.112 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -84.3 -32.58 24.28 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.063 -175.52 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 11.7 p -82.79 -45.48 14.3 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.921 -173.169 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.56 HG11 HD22 ' B' ' 81' ' ' LEU . 14.9 p -104.24 -18.66 6.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-O 121.067 0.461 . . . . 0.0 110.918 -174.554 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -61.11 -22.19 60.25 Favored Glycine 0 N--CA 1.451 -0.345 0 CA-C-N 115.814 -0.63 . . . . 0.0 112.869 -178.13 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -90.34 6.26 43.83 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.736 0.303 . . . . 0.0 111.127 -178.746 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' TYR . . . . . 0.591 ' HB3' HD23 ' A' ' 76' ' ' LEU . 73.9 m-85 -117.91 -34.17 4.25 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.258 0.552 . . . . 0.0 109.868 176.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.422 ' O ' ' HB3' ' B' ' 22' ' ' SER . 33.7 m -87.52 -2.14 8.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.593 177.535 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.461 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.903 178.803 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.059 -0.416 . . . . 0.0 112.059 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' -4' ' ' SER . . . . . . . . . . . . . 31.6 m -84.0 101.22 11.58 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.935 0.398 . . . . 0.0 110.424 179.642 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' -3' ' ' GLY . . . . . . . . . . . . . . . -110.49 163.68 12.32 Favored Glycine 0 N--CA 1.447 -0.614 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.0 -179.471 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' -2' ' ' ASN . . . . . . . . . . . . . 62.9 t30 -158.09 148.87 20.73 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 179.746 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' -1' ' ' SER . . . . . . . . . . . . . 9.9 m -81.6 63.9 6.08 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.076 0.465 . . . . 0.0 111.539 -175.522 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 98.8 t -122.47 115.53 46.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.01 176.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 2' ' ' THR . . . . . 0.448 ' HA ' ' HA ' ' A' ' 2' ' ' THR . 6.5 t -124.58 126.21 45.42 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.91 -178.226 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 24.5 m -78.59 -20.65 50.02 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.212 176.743 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . 86.99 -87.73 1.57 Allowed Glycine 0 N--CA 1.446 -0.693 0 C-N-CA 120.949 -0.643 . . . . 0.0 112.645 176.525 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . 91.28 42.37 4.93 Favored Glycine 0 N--CA 1.447 -0.575 0 N-CA-C 111.244 -0.742 . . . . 0.0 111.244 -173.854 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 6' ' ' TYR . . . . . . . . . . . . . 15.2 p90 -129.11 -165.3 1.49 Allowed 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 110.261 -0.274 . . . . 0.0 110.261 -178.176 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 7' ' ' GLY . . . . . 0.512 ' O ' ' HA ' ' B' ' 19' ' ' ALA . . . 85.17 -125.92 7.46 Favored Glycine 0 N--CA 1.448 -0.501 0 N-CA-C 110.319 -1.113 . . . . 0.0 110.319 -174.372 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 40.4 t80 -90.12 -8.13 52.06 Favored 'General case' 0 N--CA 1.442 -0.828 0 CA-C-O 121.503 0.668 . . . . 0.0 109.531 173.133 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -92.94 28.16 9.91 Favored Glycine 0 N--CA 1.448 -0.513 0 CA-C-N 115.665 -0.698 . . . . 0.0 112.147 -179.695 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 16.6 p -82.17 -65.99 0.94 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.966 0.412 . . . . 0.0 110.679 179.146 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 65.6 m -154.56 127.42 8.18 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.468 177.703 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -82.09 128.89 34.58 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.115 -178.889 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -168.55 175.91 5.98 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.602 -0.726 . . . . 0.0 109.393 179.451 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.66 -15.36 61.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.435 0.636 . . . . 0.0 110.396 177.333 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 15' ' ' GLY . . . . . 0.621 ' O ' ' HA3' ' B' ' 25' ' ' GLY . . . 158.61 90.71 0.08 OUTLIER Glycine 0 N--CA 1.441 -1.013 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.614 178.334 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 16' ' ' ALA . . . . . 0.456 ' H ' HG13 ' B' ' 18' ' ' VAL . . . -175.44 98.53 0.07 Allowed 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.211 -0.662 . . . . 0.0 109.211 176.104 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 58.87 41.0 95.92 Favored Glycine 0 CA--C 1.519 0.283 0 C-N-CA 120.657 -0.782 . . . . 0.0 111.902 -174.387 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 18' ' ' VAL . . . . . 0.456 HG13 ' H ' ' B' ' 16' ' ' ALA . 2.1 m -79.84 -32.76 14.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.812 0.339 . . . . 0.0 111.646 -176.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 19' ' ' ALA . . . . . 0.512 ' HA ' ' O ' ' B' ' 7' ' ' GLY . . . -135.25 172.57 12.82 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 116.207 -0.452 . . . . 0.0 109.912 179.846 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -65.51 -42.22 92.32 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.185 -178.63 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -134.5 24.03 3.56 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.247 -177.663 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 22' ' ' SER . . . . . 0.422 ' HB3' ' O ' ' A' ' 119' ' ' VAL . 6.0 m -142.66 131.35 22.66 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 120.91 0.386 . . . . 0.0 110.498 179.848 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -147.8 121.58 9.29 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -79.68 -20.19 47.17 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.455 -177.078 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 25' ' ' GLY . . . . . 0.621 ' HA3' ' O ' ' B' ' 15' ' ' GLY . . . -69.78 -20.33 75.82 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.37 -0.919 . . . . 0.0 112.072 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -80.75 4.12 20.01 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.526 0.679 . . . . 0.0 110.024 175.122 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 27' ' ' VAL . . . . . 0.554 HG12 ' HG2' ' A' ' 112' ' ' GLN . 2.6 t -117.71 -42.78 2.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.139 -0.937 . . . . 0.0 109.931 179.846 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 63.9 m-20 -69.74 -11.77 61.11 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.241 -0.89 . . . . 0.0 111.461 -175.082 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 76.3 ttt180 -92.99 1.87 57.09 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-O 121.348 0.594 . . . . 0.0 110.404 179.452 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 30' ' ' LEU . . . . . 0.6 HD11 ' HB3' ' B' ' 81' ' ' LEU . 68.2 mt -79.16 -29.58 43.12 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.253 179.473 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 3.0 p -78.27 7.41 6.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.441 0.638 . . . . 0.0 110.689 178.791 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 67.5 m -91.04 152.55 20.61 Favored 'General case' 0 N--CA 1.437 -1.077 0 CA-C-N 115.237 -0.892 . . . . 0.0 109.637 174.419 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.65 -14.99 62.32 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.972 0.415 . . . . 0.0 111.047 -178.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -57.7 -56.59 19.91 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.856 177.585 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 35' ' ' ALA . . . . . 0.61 ' O ' HG23 ' B' ' 39' ' ' VAL . . . -57.89 -52.0 67.3 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.56 -179.808 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -52.13 -31.0 29.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.395 -178.567 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 10.8 t -74.12 -27.31 60.8 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.563 -178.526 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 38' ' ' ARG . . . . . 0.424 ' HD2' ' OE1' ' B' ' 82' ' ' GLU . 65.1 mtt180 -96.39 -45.45 6.78 Favored 'General case' 0 CA--C 1.516 -0.342 0 CA-C-O 121.931 0.872 . . . . 0.0 109.888 -177.038 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 39' ' ' VAL . . . . . 0.61 HG23 ' O ' ' B' ' 35' ' ' ALA . 34.7 t -63.36 -36.9 77.98 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.825 0 CA-C-N 114.26 -1.336 . . . . 0.0 110.975 -175.448 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 40' ' ' SER . . . . . 0.468 ' O ' HG12 ' B' ' 43' ' ' ILE . 91.9 p -72.89 -12.24 60.89 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.97 0.414 . . . . 0.0 111.273 -179.029 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 9.8 t -89.55 -15.94 31.79 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.385 0.612 . . . . 0.0 110.034 -179.008 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 45.3 m-80 -112.43 -5.87 14.05 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.087 -174.168 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 43' ' ' ILE . . . . . 0.517 HG13 ' N ' ' B' ' 44' ' ' ALA . 5.3 pt -58.5 -42.19 83.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.972 177.725 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 44' ' ' ALA . . . . . 0.517 ' N ' HG13 ' B' ' 43' ' ' ILE . . . -79.21 -12.95 59.97 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.108 0.48 . . . . 0.0 110.657 -176.255 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -82.06 -49.91 9.67 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.998 -179.598 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 41.4 mt -65.62 -35.7 75.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.158 178.393 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 47' ' ' ALA . . . . . 0.697 ' HB1' HD13 ' A' ' 96' ' ' ILE . . . -62.72 -23.74 67.32 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.395 178.302 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 13.2 t -92.3 -38.02 12.31 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.207 -176.89 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -99.01 -21.82 14.75 Favored Glycine 0 CA--C 1.519 0.336 0 C-N-CA 120.399 -0.905 . . . . 0.0 113.457 -175.741 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 77.52 -75.79 1.77 Allowed Glycine 0 N--CA 1.448 -0.555 0 N-CA-C 111.695 -0.562 . . . . 0.0 111.695 -179.552 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -122.87 -27.45 4.27 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.163 0.506 . . . . 0.0 110.587 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 9.8 m -75.6 -3.2 33.01 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.725 -177.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -92.58 -18.01 23.66 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.431 177.461 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 54' ' ' LEU . . . . . 0.472 ' N ' ' HD2' ' B' ' 55' ' ' PRO . 47.5 mt -55.23 -56.34 29.66 Favored Pre-proline 0 CA--C 1.533 0.318 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.9 -177.478 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 55' ' ' PRO . . . . . 0.472 ' HD2' ' N ' ' B' ' 54' ' ' LEU . 14.7 Cg_endo -59.96 -23.2 72.03 Favored 'Trans proline' 0 C--N 1.353 0.798 0 C-N-CA 122.276 1.984 . . . . 0.0 112.621 -177.524 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 20.8 m -89.24 -38.75 14.0 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.029 0.442 . . . . 0.0 110.945 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 54.1 t -80.07 -42.16 21.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.838 -173.46 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 58' ' ' ILE . . . . . 0.543 HG12 ' HG ' ' B' ' 83' ' ' LEU . 58.1 mt -59.12 -37.39 67.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.862 176.818 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 15.8 t -68.64 -38.92 80.86 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.969 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -58.54 -53.51 57.54 Favored 'General case' 0 CA--C 1.517 -0.325 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.727 177.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 50.5 mt -70.58 -43.26 77.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.463 -175.901 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 62' ' ' TYR . . . . . 0.404 ' CE2' HG21 ' B' ' 66' ' ' VAL . 59.3 t80 -56.31 -48.67 76.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.811 0.338 . . . . 0.0 110.672 -178.427 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 19.7 m -60.42 -30.51 69.67 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.838 179.328 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -73.94 -42.62 36.99 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.956 -0.64 . . . . 0.0 111.692 179.351 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 65' ' ' VAL . . . . . 0.645 HG12 HG11 ' B' ' 70' ' ' VAL . 63.7 t -68.8 -44.36 82.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 120.813 0.34 . . . . 0.0 110.855 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 66' ' ' VAL . . . . . 0.404 HG21 ' CE2' ' B' ' 62' ' ' TYR . 77.3 t -60.26 -37.19 72.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-O 120.843 0.354 . . . . 0.0 110.806 179.649 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.57 -7.06 23.17 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.818 178.146 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 68' ' ' SER . . . . . 0.416 ' HB3' ' O ' ' B' ' 65' ' ' VAL . 40.3 t -83.13 -9.66 59.08 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.897 0.38 . . . . 0.0 110.243 177.352 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 91.23 30.26 11.24 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.85 -0.69 . . . . 0.0 112.217 178.133 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.645 HG11 HG12 ' B' ' 65' ' ' VAL . 11.6 p -97.88 158.58 3.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-O 120.595 0.236 . . . . 0.0 110.458 -179.079 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 35.0 t -67.53 144.55 55.58 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 110.085 -0.339 . . . . 0.0 110.085 175.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 4.0 m -55.5 -46.75 76.93 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 112.323 0.49 . . . . 0.0 112.323 -175.053 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -68.72 -34.51 75.75 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.931 0.396 . . . . 0.0 110.205 -175.34 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -77.05 -32.22 56.76 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.074 0.464 . . . . 0.0 109.923 178.701 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 75' ' ' ALA . . . . . 0.625 ' HB2' HG13 ' B' ' 70' ' ' VAL . . . -62.39 -37.28 85.14 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.91 176.694 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 76' ' ' LEU . . . . . 0.464 ' O ' ' HB2' ' B' ' 80' ' ' LEU . 2.7 tm? -55.35 -44.38 75.91 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.097 -0.501 . . . . 0.0 109.953 178.313 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 77' ' ' ILE . . . . . 0.611 ' O ' ' HG ' ' B' ' 81' ' ' LEU . 46.6 mm -67.72 -55.46 16.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.89 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 78' ' ' GLN . . . . . . . . . . . . . 41.4 tp60 -53.42 -50.16 65.8 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-O 121.037 0.446 . . . . 0.0 111.058 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.31 -37.01 85.81 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.115 -177.05 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 80' ' ' LEU . . . . . 0.548 ' O ' HD23 ' B' ' 84' ' ' LEU . 4.3 mt -70.18 -39.3 75.34 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.928 178.841 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 81' ' ' LEU . . . . . 0.611 ' HG ' ' O ' ' B' ' 77' ' ' ILE . 23.6 mt -69.09 -37.29 78.35 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-O 120.727 0.299 . . . . 0.0 110.845 -179.235 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 82' ' ' GLU . . . . . 0.424 ' OE1' ' HD2' ' B' ' 38' ' ' ARG . 44.8 mt-10 -62.35 -34.77 77.31 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.15 0.5 . . . . 0.0 109.899 170.26 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 83' ' ' LEU . . . . . 0.543 ' HG ' HG12 ' B' ' 58' ' ' ILE . 3.4 tm? -68.64 -42.47 77.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.111 0.482 . . . . 0.0 110.063 178.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 84' ' ' LEU . . . . . 0.548 HD23 ' O ' ' B' ' 80' ' ' LEU . 3.7 mm? -66.87 -8.32 28.23 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.646 -0.706 . . . . 0.0 112.379 -176.78 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 37.9 t -100.53 -22.54 14.96 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 120.647 -0.421 . . . . 0.0 110.736 -179.426 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 86' ' ' ALA . . . . . 0.433 ' HB2' HG13 ' B' ' 39' ' ' VAL . . . -71.88 -43.69 65.0 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.289 0.566 . . . . 0.0 110.387 -178.018 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 87' ' ' LEU . . . . . 0.483 HD12 ' N ' ' B' ' 88' ' ' VAL . 1.0 OUTLIER -82.29 -20.53 37.31 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.34 -0.845 . . . . 0.0 112.937 -171.977 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 88' ' ' VAL . . . . . 0.483 ' N ' HD12 ' B' ' 87' ' ' LEU . 22.5 m -90.47 -22.3 6.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 C-N-CA 120.253 -0.579 . . . . 0.0 110.514 176.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 89' ' ' HIS . . . . . . . . . . . . . 64.7 t60 -68.43 -38.51 81.26 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.99 178.087 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 90' ' ' VAL . . . . . 0.412 ' HB ' ' CD1' ' A' ' 96' ' ' ILE . 31.5 m -65.97 -27.63 41.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.77 -175.462 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 91' ' ' LEU . . . . . 0.648 ' HA ' ' HB3' ' B' ' 94' ' ' ALA . 2.6 mm? -62.96 -21.94 66.45 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.611 -0.268 . . . . 0.0 111.122 -179.396 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 22.7 t -65.06 -26.59 68.31 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.808 0.337 . . . . 0.0 110.646 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 93' ' ' SER . . . . . 0.46 ' HB2' HG12 ' A' ' 99' ' ' VAL . 21.8 m -117.58 7.64 12.69 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.401 0.619 . . . . 0.0 110.344 179.412 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 94' ' ' ALA . . . . . 0.648 ' HB3' ' HA ' ' B' ' 91' ' ' LEU . . . -106.06 104.01 13.62 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.824 -177.852 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 26.6 t -80.94 92.92 6.23 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.118 0.485 . . . . 0.0 110.077 178.56 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 96' ' ' ILE . . . . . 0.688 HD13 ' HB1' ' A' ' 47' ' ' ALA . 13.6 tt -69.02 146.21 12.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.25 178.746 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 97' ' ' GLY . . . . . . . . . . . . . . . -95.05 -94.81 1.69 Allowed Glycine 0 N--CA 1.448 -0.541 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.243 178.428 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 98' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -137.08 115.69 12.03 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.805 0.336 . . . . 0.0 110.793 179.558 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 99' ' ' VAL . . . . . 0.536 HG11 ' HA ' ' A' ' 90' ' ' VAL . 2.6 m -98.3 131.66 44.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-O 121.12 0.486 . . . . 0.0 111.377 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 100' ' ' SER . . . . . . . . . . . . . 18.2 m -91.45 152.63 20.29 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.944 178.085 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 11.4 p -84.24 7.02 20.5 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.111 0.481 . . . . 0.0 111.375 -179.292 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 44.9 t -104.43 117.07 49.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.428 -176.507 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . 124.97 -10.59 7.86 Favored Glycine 0 N--CA 1.45 -0.371 0 CA-C-N 115.878 -0.601 . . . . 0.0 112.211 177.658 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 104' ' ' VAL . . . . . . . . . . . . . 24.1 t -59.51 -33.05 50.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.848 0.356 . . . . 0.0 110.15 179.01 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -49.37 -46.43 47.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.262 -0.881 . . . . 0.0 110.762 177.012 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 44.7 m -75.39 -37.95 60.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.514 -177.54 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 22.5 m -59.58 -34.78 73.14 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-O 121.364 0.602 . . . . 0.0 110.623 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 108' ' ' LEU . . . . . 0.499 HD21 HG21 ' A' ' 39' ' ' VAL . 4.6 mt -64.54 -22.87 67.09 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.457 -0.792 . . . . 0.0 111.66 179.43 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 109' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -72.01 -24.17 61.52 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.226 0.536 . . . . 0.0 109.852 177.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 110' ' ' VAL . . . . . . . . . . . . . 25.0 t -85.05 -40.08 14.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.893 -177.287 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 111' ' ' VAL . . . . . 0.464 HG12 ' O ' ' B' ' 108' ' ' LEU . 10.0 p -61.55 -33.53 57.56 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.316 0 CA-C-O 121.0 0.428 . . . . 0.0 110.709 -178.167 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 112' ' ' GLN . . . . . 0.494 ' HG3' ' O ' ' B' ' 108' ' ' LEU . 24.5 mt-30 -66.29 -30.52 70.96 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-O 121.514 0.673 . . . . 0.0 110.283 -179.309 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 113' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -74.54 -27.37 60.49 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 114.741 -1.118 . . . . 0.0 110.894 -173.825 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 4.3 m -87.39 -41.64 13.44 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.488 -0.778 . . . . 0.0 111.727 -173.022 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 115' ' ' VAL . . . . . 0.658 HG11 HD22 ' A' ' 81' ' ' LEU . 14.9 p -107.77 -21.33 5.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 120.87 0.366 . . . . 0.0 111.7 -171.699 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 116' ' ' GLY . . . . . . . . . . . . . . . -62.32 -17.32 56.1 Favored Glycine 0 CA--C 1.519 0.311 0 CA-C-N 116.283 -0.417 . . . . 0.0 113.466 -175.285 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -92.14 -0.47 57.44 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.769 0.318 . . . . 0.0 111.356 -179.38 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 118' ' ' TYR . . . . . . . . . . . . . 72.8 m-85 -113.86 -30.13 6.84 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.957 178.356 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 119' ' ' VAL . . . . . 0.448 ' O ' ' HB3' ' A' ' 22' ' ' SER . 28.0 m -88.18 -5.32 10.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.714 -179.792 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.919 0 CA-C-O 118.636 -1.091 . . . . 0.0 111.886 -179.202 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.699 0 N-CA-C 112.225 -0.35 . . . . 0.0 112.225 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 12.0 p -82.51 -70.31 0.56 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.762 0.315 . . . . 0.0 110.903 -178.607 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . 91.72 133.21 5.89 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.894 -0.669 . . . . 0.0 112.351 178.403 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' -2' ' ' ASN . . . . . . . . . . . . . 18.0 m120 -145.02 109.69 5.0 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.854 -0.424 . . . . 0.0 109.854 179.701 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' -1' ' ' SER . . . . . 0.461 ' HA ' ' O ' ' B' ' 2' ' ' THR . 20.3 m -99.57 101.48 12.71 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.016 0.436 . . . . 0.0 110.451 179.586 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 39.5 t -118.3 -84.63 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.748 -179.012 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 11.0 p -132.54 136.83 46.86 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.702 0.287 . . . . 0.0 111.288 -178.584 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.1 p -106.91 -166.1 1.14 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.217 -178.612 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -160.28 -134.34 1.65 Allowed Glycine 0 N--CA 1.448 -0.528 0 C-N-CA 121.174 -0.536 . . . . 0.0 111.953 -179.087 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -81.91 54.87 4.88 Favored Glycine 0 CA--C 1.519 0.285 0 C-N-CA 121.27 -0.49 . . . . 0.0 112.954 -176.492 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 10.4 p90 -157.62 -167.51 2.29 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 110.052 -0.351 . . . . 0.0 110.052 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 95.09 -79.51 0.86 Allowed Glycine 0 N--CA 1.448 -0.516 0 N-CA-C 111.355 -0.698 . . . . 0.0 111.355 -179.407 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 63.0 m-85 -95.88 -56.51 2.64 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.144 0.497 . . . . 0.0 109.671 174.782 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -92.27 69.55 1.8 Allowed Glycine 0 N--CA 1.447 -0.596 0 CA-C-N 115.468 -0.787 . . . . 0.0 112.239 -174.648 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 75.4 p -94.03 -36.34 12.17 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.458 0.647 . . . . 0.0 110.157 177.752 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 50.7 m -156.01 -172.46 4.12 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.204 -0.907 . . . . 0.0 108.845 179.014 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -75.33 87.7 2.54 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.111 0.481 . . . . 0.0 110.63 177.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -90.18 168.1 12.2 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.52 179.213 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.47 143.89 46.45 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.156 178.464 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.403 ' O ' ' HA3' ' A' ' 25' ' ' GLY . . . -56.37 84.36 0.01 OUTLIER Glycine 0 C--O 1.224 -0.491 0 O-C-N 123.756 0.66 . . . . 0.0 113.758 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -165.85 90.54 0.46 Allowed 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 178.207 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 74.81 28.6 62.58 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.377 -0.916 . . . . 0.0 111.406 -170.839 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.416 ' H ' HG22 ' A' ' 18' ' ' VAL . 0.9 OUTLIER -69.07 -37.48 76.97 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.304 0 CA-C-O 121.036 0.446 . . . . 0.0 111.356 -179.537 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.435 ' HB3' ' HB2' ' A' ' 22' ' ' SER . . . -128.88 -176.2 3.78 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.991 -0.55 . . . . 0.0 109.745 178.479 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -70.95 -44.76 65.4 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.212 -177.284 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -136.74 25.32 3.1 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.929 -0.653 . . . . 0.0 111.595 -179.078 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.435 ' HB2' ' HB3' ' A' ' 19' ' ' ALA . 16.0 m -136.07 125.48 24.98 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.369 -0.416 . . . . 0.0 110.591 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -148.04 123.48 10.35 Favored 'General case' 0 N--CA 1.449 -0.489 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 179.789 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -80.86 -21.98 40.26 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.64 -175.678 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.403 ' HA3' ' O ' ' A' ' 15' ' ' GLY . . . -59.01 -30.86 67.38 Favored Glycine 0 C--N 1.329 0.152 0 C-N-CA 121.255 -0.498 . . . . 0.0 112.591 -178.745 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.545 ' HB1' ' HB2' ' A' ' 78' ' ' GLN . . . -71.28 -16.15 62.46 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.93 0.395 . . . . 0.0 110.892 179.098 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.43 HG22 ' CD1' ' A' ' 81' ' ' LEU . 3.3 t -95.05 -41.41 11.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.002 -174.612 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 13.8 m120 -68.25 -17.86 64.4 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-O 121.222 0.534 . . . . 0.0 110.692 -177.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 79.1 ttt180 -78.78 -9.03 59.3 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.161 -177.384 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.676 ' HB3' HD12 ' B' ' 108' ' ' LEU . 54.3 mt -77.11 -24.38 51.73 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.954 -173.648 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 16.6 p -77.85 0.72 22.84 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.096 0.474 . . . . 0.0 110.855 -178.251 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 35.9 t -87.67 166.68 14.49 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.747 176.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.08 -16.21 63.74 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.188 -179.181 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -55.38 -58.01 9.49 Favored 'General case' 0 CA--C 1.519 -0.237 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.892 179.344 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.617 ' O ' HG23 ' A' ' 39' ' ' VAL . . . -61.27 -54.62 41.73 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.028 -179.208 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -54.41 -28.94 47.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.736 -176.365 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 71.3 m -75.35 -18.37 60.0 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 112.332 0.493 . . . . 0.0 112.332 178.662 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.586 ' HD2' ' OE1' ' A' ' 82' ' ' GLU . 62.1 mtt180 -104.85 -47.31 4.06 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.441 0.638 . . . . 0.0 109.87 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.617 HG23 ' O ' ' A' ' 35' ' ' ALA . 42.9 t -55.6 -51.31 59.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 114.769 -1.105 . . . . 0.0 111.152 -178.8 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.9 m -70.76 -9.83 58.18 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.379 -177.247 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 46.1 t -91.11 -10.62 41.28 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.0 0.429 . . . . 0.0 110.221 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 41.0 m-80 -120.83 -1.0 10.01 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.345 -176.142 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.488 HG13 ' N ' ' A' ' 44' ' ' ALA . 4.1 pt -59.59 -40.28 81.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.97 0.414 . . . . 0.0 110.949 177.576 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.488 ' N ' HG13 ' A' ' 43' ' ' ILE . . . -78.26 -12.85 60.03 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.117 -177.167 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -81.31 -52.02 7.75 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.251 0.548 . . . . 0.0 110.313 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 32.9 mt -66.45 -32.71 59.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.299 -179.636 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.773 ' HB1' HD13 ' B' ' 96' ' ' ILE . . . -65.68 -18.84 65.62 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.254 178.542 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 42.0 t -98.99 -47.04 5.39 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.058 -177.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -90.2 -22.57 34.75 Favored Glycine 0 CA--C 1.519 0.32 0 C-N-CA 120.679 -0.772 . . . . 0.0 113.36 -176.245 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 73.24 -77.96 0.83 Allowed Glycine 0 N--CA 1.45 -0.42 0 N-CA-C 111.597 -0.601 . . . . 0.0 111.597 -178.368 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -114.84 -26.57 7.75 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-O 121.189 0.519 . . . . 0.0 110.295 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 16.3 m -71.66 -11.67 60.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.6 -178.656 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -88.1 -18.32 29.1 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.741 -179.257 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.467 HD11 HG11 ' B' ' 88' ' ' VAL . 32.7 mt -54.8 -56.51 26.63 Favored Pre-proline 0 C--N 1.327 -0.389 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.947 -177.918 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.46 ' HD2' ' N ' ' A' ' 54' ' ' LEU . 19.2 Cg_endo -60.99 -21.71 72.3 Favored 'Trans proline' 0 C--N 1.352 0.751 0 C-N-CA 122.104 1.869 . . . . 0.0 112.544 -178.629 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 19.3 m -87.39 -45.3 10.67 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.921 0.391 . . . . 0.0 110.797 179.598 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 73.2 t -75.55 -42.68 42.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.499 -172.057 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.523 HG12 HD22 ' A' ' 83' ' ' LEU . 60.7 mt -58.45 -40.79 79.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.384 177.768 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 8.6 t -70.19 -36.7 74.8 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.175 -178.321 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -59.44 -51.52 69.55 Favored 'General case' 0 CA--C 1.52 -0.209 0 CA-C-O 121.397 0.618 . . . . 0.0 110.334 177.477 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.466 ' O ' HG23 ' A' ' 65' ' ' VAL . 52.1 mt -72.08 -43.49 66.87 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 115.199 -0.909 . . . . 0.0 111.293 -176.384 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.442 ' O ' HG23 ' A' ' 66' ' ' VAL . 51.5 t80 -54.65 -52.73 61.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.792 -178.909 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 33.5 t -58.94 -33.83 71.05 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.565 179.731 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -70.28 -38.58 71.45 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.983 -0.627 . . . . 0.0 112.091 -179.112 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.749 HG12 HG11 ' A' ' 70' ' ' VAL . 46.5 t -74.34 -45.12 47.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-O 120.732 0.301 . . . . 0.0 110.845 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.442 HG23 ' O ' ' A' ' 62' ' ' TYR . 86.2 t -59.63 -37.37 70.37 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.309 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.159 -178.709 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.5 -16.13 53.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.697 -179.754 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 16.9 t -77.51 -19.82 55.24 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.841 0.353 . . . . 0.0 110.883 -179.339 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 102.13 33.92 4.44 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.415 -178.556 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.749 HG11 HG12 ' A' ' 65' ' ' VAL . 14.9 p -97.79 159.83 3.14 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 N-CA-C 110.065 -0.346 . . . . 0.0 110.065 179.387 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 40.1 t -68.52 157.5 35.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.526 0.203 . . . . 0.0 110.528 178.217 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 13.0 m -56.39 -53.73 53.94 Favored 'General case' 0 CA--C 1.532 0.275 0 N-CA-C 112.29 0.478 . . . . 0.0 112.29 -174.18 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 24.3 t-20 -75.86 -35.5 59.89 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.624 -0.43 . . . . 0.0 110.89 -176.036 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -63.47 -31.96 73.27 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.225 0.536 . . . . 0.0 109.582 177.534 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.628 ' HB2' HG13 ' A' ' 70' ' ' VAL . . . -66.36 -45.31 80.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.62 174.093 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.424 HD23 ' HB3' ' A' ' 118' ' ' TYR . 2.9 tm? -53.56 -46.73 70.37 Favored 'General case' 0 CA--C 1.519 -0.234 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.76 177.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.772 ' O ' ' HG ' ' A' ' 81' ' ' LEU . 38.4 mm -60.15 -58.56 6.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.018 178.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' GLN . . . . . 0.545 ' HB2' ' HB1' ' A' ' 26' ' ' ALA . 51.2 tt0 -57.63 -48.69 78.75 Favored 'General case' 0 N--CA 1.461 0.094 0 CA-C-O 120.773 0.32 . . . . 0.0 111.355 -177.884 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.04 -33.02 72.64 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.234 -178.536 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.549 ' O ' HD23 ' A' ' 84' ' ' LEU . 6.3 mt -71.88 -39.83 69.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.863 0.363 . . . . 0.0 110.501 175.149 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.772 ' HG ' ' O ' ' A' ' 77' ' ' ILE . 48.6 mt -63.72 -36.66 84.58 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.019 0.438 . . . . 0.0 110.512 178.576 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.586 ' OE1' ' HD2' ' A' ' 38' ' ' ARG . 50.8 mt-10 -74.53 -13.22 60.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.764 175.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.523 HD22 HG12 ' A' ' 58' ' ' ILE . 23.3 tp -88.31 -44.09 11.06 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.052 0.453 . . . . 0.0 110.559 174.784 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.565 HD21 HD21 ' B' ' 84' ' ' LEU . 4.5 mm? -67.13 -2.84 6.19 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.569 -0.742 . . . . 0.0 111.894 -176.235 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.2 p -101.77 -28.34 12.51 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.029 177.729 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -72.64 -47.3 48.74 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.468 0.652 . . . . 0.0 110.585 -177.501 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.464 HD12 ' N ' ' A' ' 88' ' ' VAL . 1.0 OUTLIER -77.34 -17.13 58.52 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.267 -0.879 . . . . 0.0 112.695 -172.642 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.464 ' N ' HD12 ' A' ' 87' ' ' LEU . 16.9 m -90.5 -26.47 5.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 C-N-CA 120.479 -0.488 . . . . 0.0 110.711 177.606 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 45.7 t60 -68.55 -36.01 78.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.112 179.239 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 25.0 m -65.02 -26.75 40.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.17 -176.466 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.615 ' HA ' ' HB3' ' A' ' 94' ' ' ALA . 3.2 mm? -65.69 -23.9 66.88 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 120.659 0.266 . . . . 0.0 111.344 -179.278 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 32.3 t -61.28 -31.72 71.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.266 0.555 . . . . 0.0 110.071 178.45 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.584 ' HB2' HG12 ' B' ' 99' ' ' VAL . 49.4 m -106.31 -23.82 12.45 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.796 -179.119 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.615 ' HB3' ' HA ' ' A' ' 91' ' ' LEU . . . -74.55 103.96 5.07 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-N 115.56 -0.745 . . . . 0.0 111.243 -178.791 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 4.5 p -77.0 86.73 3.52 Favored 'General case' 0 N--CA 1.419 -1.983 0 CA-C-N 115.265 -0.88 . . . . 0.0 110.452 176.757 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.759 HD13 ' HB1' ' B' ' 47' ' ' ALA . 21.0 tt -70.33 148.15 11.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.912 -179.671 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -97.41 -100.58 2.05 Favored Glycine 0 N--CA 1.447 -0.593 0 C-N-CA 120.833 -0.699 . . . . 0.0 111.879 178.501 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -130.62 125.69 34.73 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.873 -0.417 . . . . 0.0 109.873 179.223 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.52 ' CG1' HD11 ' A' ' 96' ' ' ILE . 4.7 m -106.81 132.17 54.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-O 121.054 0.455 . . . . 0.0 111.233 -178.782 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 21.2 m -87.53 148.36 24.94 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.455 178.777 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 54.4 m -85.0 24.37 1.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.173 0.511 . . . . 0.0 110.651 178.821 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 60.1 t -117.85 131.42 70.63 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.469 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.918 -176.608 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 103.22 -10.53 54.73 Favored Glycine 0 N--CA 1.45 -0.414 0 CA-C-N 115.871 -0.604 . . . . 0.0 112.624 177.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.404 ' O ' HD12 ' A' ' 108' ' ' LEU . 22.0 t -57.71 -34.67 48.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 176.622 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -48.9 -48.23 42.62 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 114.888 -1.051 . . . . 0.0 111.009 175.296 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 22.2 m -81.1 -28.05 35.37 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.327 -0.851 . . . . 0.0 111.312 -175.874 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 28.4 m -62.75 -36.33 82.7 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.158 0.504 . . . . 0.0 110.083 176.093 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.562 ' O ' ' HG3' ' A' ' 112' ' ' GLN . 2.3 mt -61.94 -25.33 67.53 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.541 -0.754 . . . . 0.0 111.531 178.489 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -69.08 -25.53 64.48 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.192 0.52 . . . . 0.0 110.26 178.118 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 41.6 t -85.81 -38.67 13.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.109 -176.156 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.509 HG12 ' O ' ' A' ' 108' ' ' LEU . 8.0 p -62.97 -26.03 39.97 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.396 0 CA-C-O 121.399 0.619 . . . . 0.0 110.651 -177.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 112' ' ' GLN . . . . . 0.562 ' HG3' ' O ' ' A' ' 108' ' ' LEU . 24.6 mt-30 -70.53 -21.13 62.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.103 -178.622 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -84.18 -32.78 24.4 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.531 -173.163 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' SER . . . . . 0.403 ' HB2' HD12 ' A' ' 58' ' ' ILE . 16.8 p -80.58 -46.2 16.11 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.618 -0.719 . . . . 0.0 112.084 -172.456 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 10.5 p -105.69 -18.07 7.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-O 120.96 0.409 . . . . 0.0 111.289 -172.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -56.11 -27.51 51.96 Favored Glycine 0 CA--C 1.519 0.333 0 CA-C-N 116.121 -0.491 . . . . 0.0 113.117 -179.792 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -88.37 4.95 44.37 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 111.756 0.28 . . . . 0.0 111.756 -178.432 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' TYR . . . . . 0.424 ' HB3' HD23 ' A' ' 76' ' ' LEU . 65.2 m-85 -117.32 -27.8 6.32 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.259 0.552 . . . . 0.0 110.085 177.417 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.435 ' O ' ' HB3' ' B' ' 22' ' ' SER . 26.8 m -87.56 -1.45 8.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.256 173.375 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.497 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.994 179.22 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.416 0 N-CA-C 111.901 -0.48 . . . . 0.0 111.901 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' -4' ' ' SER . . . . . . . . . . . . . 16.5 m -80.31 -25.3 39.41 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.819 0.342 . . . . 0.0 110.581 -179.569 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' -3' ' ' GLY . . . . . . . . . . . . . . . 140.11 90.69 0.19 Allowed Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.513 178.002 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' -2' ' ' ASN . . . . . . . . . . . . . 36.4 t-20 -103.98 67.41 0.87 Allowed 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 178.363 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' -1' ' ' SER . . . . . . . . . . . . . 37.2 m -83.18 116.1 22.22 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.708 -178.172 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 2.5 m -151.62 -170.8 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.749 179.484 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 2' ' ' THR . . . . . 0.461 ' O ' ' HA ' ' A' ' -1' ' ' SER . 0.9 OUTLIER -77.76 151.52 34.02 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.811 0.339 . . . . 0.0 110.717 175.765 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 11.3 p -116.99 149.41 40.29 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.104 -178.759 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -104.79 -156.03 23.09 Favored Glycine 0 N--CA 1.451 -0.311 0 CA-C-N 115.977 -0.556 . . . . 0.0 112.354 179.318 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -81.36 75.85 2.25 Favored Glycine 0 CA--C 1.519 0.324 0 C-N-CA 121.019 -0.61 . . . . 0.0 113.048 -176.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 6' ' ' TYR . . . . . . . . . . . . . 11.0 p90 -153.49 -168.64 3.06 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.824 -0.436 . . . . 0.0 109.824 177.784 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . 91.7 -74.18 1.55 Allowed Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.58 176.385 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 8' ' ' TYR . . . . . 0.447 ' HB3' ' O ' ' B' ' 17' ' ' GLY . 63.0 m-85 -65.46 -68.55 0.36 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.975 0.417 . . . . 0.0 110.898 -179.305 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -134.55 83.01 0.29 Allowed Glycine 0 N--CA 1.445 -0.734 0 C-N-CA 120.87 -0.681 . . . . 0.0 111.697 -179.508 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 76.3 p -63.17 -43.83 97.15 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.227 0.537 . . . . 0.0 110.081 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 19.9 m -110.13 167.0 10.51 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.319 -0.855 . . . . 0.0 108.871 173.341 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -74.16 95.01 2.52 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.07 0.462 . . . . 0.0 110.326 177.83 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -107.74 -170.14 1.64 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.407 -179.608 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.13 121.97 11.31 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.512 178.078 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . -57.99 88.35 0.02 OUTLIER Glycine 0 C--O 1.221 -0.701 0 CA-C-N 115.886 -0.597 . . . . 0.0 113.81 -178.694 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -161.1 96.29 1.09 Allowed 'General case' 0 C--N 1.316 -0.86 0 N-CA-C 108.393 -0.966 . . . . 0.0 108.393 176.126 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 17' ' ' GLY . . . . . 0.447 ' O ' ' HB3' ' B' ' 8' ' ' TYR . . . 66.64 37.67 92.66 Favored Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 120.277 -0.963 . . . . 0.0 110.911 -169.082 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -82.06 -50.22 16.52 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.242 0 CA-C-O 120.975 0.417 . . . . 0.0 111.302 -178.443 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 19' ' ' ALA . . . . . 0.511 ' HB3' ' HB2' ' B' ' 22' ' ' SER . . . -111.09 177.2 4.74 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 116.031 -0.531 . . . . 0.0 109.697 178.902 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.02 -45.51 91.97 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.589 -0.278 . . . . 0.0 110.919 -179.242 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -132.04 11.12 5.37 Favored Glycine 0 CA--C 1.51 -0.225 0 C-N-CA 120.552 -0.832 . . . . 0.0 112.494 -177.6 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 22' ' ' SER . . . . . 0.511 ' HB2' ' HB3' ' B' ' 19' ' ' ALA . 10.8 m -122.33 123.85 42.35 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-O 120.869 0.366 . . . . 0.0 110.998 -177.611 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 23' ' ' TYR . . . . . 0.566 ' CE1' ' HA ' ' B' ' 74' ' ' GLU . 0.1 OUTLIER -148.37 127.38 12.78 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.881 -0.599 . . . . 0.0 109.619 179.25 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -88.27 -19.91 26.16 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 112.279 0.474 . . . . 0.0 112.279 -174.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.41 -30.81 78.88 Favored Glycine 0 CA--C 1.51 -0.229 0 C-N-CA 121.087 -0.578 . . . . 0.0 112.069 -179.554 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 26' ' ' ALA . . . . . 0.486 ' HB1' ' HB2' ' B' ' 78' ' ' GLN . . . -66.79 -20.37 65.93 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.274 0.559 . . . . 0.0 110.334 176.911 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 27' ' ' VAL . . . . . 0.41 ' CG1' ' HA ' ' A' ' 112' ' ' GLN . 2.3 t -89.92 -44.73 15.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.302 -0.863 . . . . 0.0 109.843 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 62.3 m-20 -66.97 -26.89 67.04 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.658 -176.307 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 78.1 ttt180 -73.88 -9.17 58.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.626 -0.716 . . . . 0.0 111.087 -178.787 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 30' ' ' LEU . . . . . 0.726 HD11 ' HB3' ' B' ' 81' ' ' LEU . 79.1 mt -69.74 -21.95 63.41 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.029 0.443 . . . . 0.0 111.047 -178.865 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 61.0 p -75.78 -9.89 58.98 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.618 -179.658 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 69.1 m -78.19 152.28 32.77 Favored 'General case' 0 N--CA 1.442 -0.864 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.879 178.119 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.33 -19.48 55.5 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.901 -0.591 . . . . 0.0 111.149 178.76 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -51.64 -57.14 10.01 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.54 177.837 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 35' ' ' ALA . . . . . 0.639 ' O ' HG23 ' B' ' 39' ' ' VAL . . . -61.31 -54.93 37.61 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.939 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.7 -35.42 31.08 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.958 -175.502 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 29.9 m -73.66 -17.12 61.18 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.965 -177.278 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 38' ' ' ARG . . . . . 0.429 ' HD2' ' OE1' ' B' ' 82' ' ' GLU . 57.2 mtt180 -100.07 -52.51 3.39 Favored 'General case' 0 CA--C 1.514 -0.438 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 178.487 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 39' ' ' VAL . . . . . 0.639 HG23 ' O ' ' B' ' 35' ' ' ALA . 21.5 t -56.7 -37.79 54.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 114.25 -1.341 . . . . 0.0 111.853 -174.814 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 78.0 p -74.38 -8.47 56.36 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-O 120.854 0.359 . . . . 0.0 111.41 -178.824 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 19.0 t -98.61 -6.09 30.59 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.49 0.662 . . . . 0.0 109.413 177.543 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 14.7 m120 -102.86 -25.57 13.45 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.256 -0.884 . . . . 0.0 109.824 -176.319 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 43' ' ' ILE . . . . . 0.545 HG13 ' N ' ' B' ' 44' ' ' ALA . 7.1 pt -53.7 -44.95 60.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 114.98 -1.009 . . . . 0.0 112.367 -175.667 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 44' ' ' ALA . . . . . 0.545 ' N ' HG13 ' B' ' 43' ' ' ILE . . . -78.01 -14.87 59.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.971 0.415 . . . . 0.0 110.983 -174.255 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -83.28 -49.66 9.18 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.224 0.535 . . . . 0.0 110.103 -179.608 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 46' ' ' ILE . . . . . 0.405 HG21 ' HB3' ' B' ' 87' ' ' LEU . 50.1 mt -66.58 -34.66 71.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.303 179.332 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 47' ' ' ALA . . . . . 0.759 ' HB1' HD13 ' A' ' 96' ' ' ILE . . . -63.63 -25.81 68.39 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.564 179.56 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 23.0 t -91.32 -36.52 13.8 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.456 -176.102 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -104.13 -19.26 11.88 Favored Glycine 0 CA--C 1.519 0.31 0 C-N-CA 120.461 -0.876 . . . . 0.0 113.628 -174.579 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 75.47 -79.18 1.09 Allowed Glycine 0 N--CA 1.449 -0.494 0 N-CA-C 111.571 -0.612 . . . . 0.0 111.571 179.607 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -117.46 -17.92 9.93 Favored 'General case' 0 C--N 1.314 -0.937 0 CA-C-O 121.19 0.519 . . . . 0.0 110.185 179.554 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 11.2 t -77.37 -6.65 54.1 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.808 -177.74 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -96.67 -18.37 19.73 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.846 179.817 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 54' ' ' LEU . . . . . 0.453 HD11 HG11 ' A' ' 88' ' ' VAL . 54.9 mt -53.16 -56.79 20.38 Favored Pre-proline 0 CA--C 1.535 0.398 0 CA-C-N 115.844 -0.616 . . . . 0.0 112.137 -176.513 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 55' ' ' PRO . . . . . 0.439 ' HD2' ' N ' ' B' ' 54' ' ' LEU . 27.8 Cg_endo -63.8 -11.09 25.05 Favored 'Trans proline' 0 C--N 1.354 0.846 0 C-N-CA 122.277 1.985 . . . . 0.0 113.044 -176.41 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 70.4 m -100.14 -41.84 6.96 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.789 0.328 . . . . 0.0 111.12 177.829 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 90.5 t -76.67 -39.66 32.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.33 -173.476 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 58' ' ' ILE . . . . . 0.509 HG12 ' HG ' ' B' ' 83' ' ' LEU . 69.6 mt -60.49 -38.89 79.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 115.861 -0.609 . . . . 0.0 109.954 176.639 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 9.5 t -69.09 -34.97 75.95 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.058 -179.108 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 96.2 m-20 -63.32 -50.29 70.63 Favored 'General case' 0 CA--C 1.52 -0.182 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.682 177.391 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 61' ' ' ILE . . . . . 0.448 ' O ' HG23 ' B' ' 65' ' ' VAL . 52.1 mt -71.56 -46.34 63.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.646 -176.381 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 62' ' ' TYR . . . . . 0.461 ' O ' HG23 ' B' ' 66' ' ' VAL . 58.7 t80 -55.44 -54.0 49.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.641 -0.254 . . . . 0.0 110.908 -176.523 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 47.3 m -58.13 -33.6 69.33 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.825 178.87 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -67.97 -40.67 88.8 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.914 -0.66 . . . . 0.0 111.88 179.37 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 65' ' ' VAL . . . . . 0.634 HG12 HG11 ' B' ' 70' ' ' VAL . 59.7 t -72.59 -43.35 62.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-O 120.75 0.31 . . . . 0.0 111.058 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 66' ' ' VAL . . . . . 0.461 HG23 ' O ' ' B' ' 62' ' ' TYR . 89.7 t -61.67 -42.66 95.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.53 -0.304 . . . . 0.0 111.201 -178.628 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -71.13 -6.93 43.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.562 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 68' ' ' SER . . . . . 0.464 ' HB3' ' O ' ' B' ' 65' ' ' VAL . 38.5 t -81.33 -27.44 34.98 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.959 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 108.82 28.96 4.28 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.357 -0.925 . . . . 0.0 112.347 -176.745 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.634 HG11 HG12 ' B' ' 65' ' ' VAL . 13.3 p -80.06 159.95 4.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 176.34 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 32.9 t -67.34 151.39 47.55 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.101 -0.703 . . . . 0.0 109.101 174.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 12.5 p -54.59 -65.28 0.6 Allowed 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 113.144 0.794 . . . . 0.0 113.144 -169.642 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -73.97 -19.77 60.56 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.129 0.49 . . . . 0.0 110.197 -176.284 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 74' ' ' GLU . . . . . 0.566 ' HA ' ' CE1' ' B' ' 23' ' ' TYR . 43.9 tt0 -70.83 -29.46 65.61 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.549 -0.751 . . . . 0.0 110.37 178.438 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -56.08 -39.54 72.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.448 -0.796 . . . . 0.0 111.293 178.602 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 76' ' ' LEU . . . . . 0.5 HD23 ' HB3' ' B' ' 118' ' ' TYR . 2.6 tm? -56.8 -45.77 82.0 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.007 179.414 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 77' ' ' ILE . . . . . 0.686 ' O ' ' HG ' ' B' ' 81' ' ' LEU . 43.4 mm -63.5 -58.03 9.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.013 -177.017 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 78' ' ' GLN . . . . . 0.486 ' HB2' ' HB1' ' B' ' 26' ' ' ALA . 24.8 tt0 -58.06 -44.88 87.72 Favored 'General case' 0 N--CA 1.465 0.311 0 C-N-CA 121.069 -0.252 . . . . 0.0 111.299 -179.478 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -59.77 -40.09 87.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.966 -179.68 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 80' ' ' LEU . . . . . 0.517 ' O ' HD23 ' B' ' 84' ' ' LEU . 5.7 mt -72.58 -40.52 66.53 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.093 178.721 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 81' ' ' LEU . . . . . 0.726 ' HB3' HD11 ' B' ' 30' ' ' LEU . 92.9 mt -60.04 -41.86 93.19 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 120.876 0.369 . . . . 0.0 110.779 179.709 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 82' ' ' GLU . . . . . 0.429 ' OE1' ' HD2' ' B' ' 38' ' ' ARG . 55.2 mt-10 -67.69 -31.62 71.72 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.686 175.645 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 83' ' ' LEU . . . . . 0.509 ' HG ' HG12 ' B' ' 58' ' ' ILE . 3.5 tm? -68.99 -44.2 73.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.08 0.467 . . . . 0.0 109.801 177.798 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 84' ' ' LEU . . . . . 0.565 HD21 HD21 ' A' ' 84' ' ' LEU . 4.5 mm? -66.81 -10.64 49.9 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.65 -0.705 . . . . 0.0 111.833 -178.857 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 51.0 m -92.91 -29.41 15.92 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.974 0.416 . . . . 0.0 110.911 -177.032 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -72.16 -44.48 63.0 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.249 0.547 . . . . 0.0 110.843 -177.417 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 87' ' ' LEU . . . . . 0.469 HD12 ' N ' ' B' ' 88' ' ' VAL . 1.3 pp -78.03 -19.36 54.5 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.556 -0.747 . . . . 0.0 112.953 -171.809 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 88' ' ' VAL . . . . . 0.469 ' N ' HD12 ' B' ' 87' ' ' LEU . 16.3 m -89.49 -21.36 6.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 C-N-CA 120.097 -0.641 . . . . 0.0 110.498 176.548 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 89' ' ' HIS . . . . . . . . . . . . . 68.3 t60 -72.24 -34.25 68.14 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.251 178.238 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 90' ' ' VAL . . . . . 0.452 HG22 ' O ' ' B' ' 87' ' ' LEU . 22.8 m -66.27 -26.61 38.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.345 -175.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 91' ' ' LEU . . . . . 0.612 ' HA ' ' HB3' ' B' ' 94' ' ' ALA . 3.5 mm? -66.81 -20.57 65.96 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.908 0.385 . . . . 0.0 110.907 179.624 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 25.9 t -64.49 -24.83 67.75 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.494 179.458 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 93' ' ' SER . . . . . 0.5 ' HB2' HG12 ' A' ' 99' ' ' VAL . 18.0 m -123.48 13.94 9.49 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-O 121.169 0.509 . . . . 0.0 110.662 178.625 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 94' ' ' ALA . . . . . 0.612 ' HB3' ' HA ' ' B' ' 91' ' ' LEU . . . -110.55 95.2 5.41 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.965 -179.19 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 13.3 m -71.3 90.45 0.93 Allowed 'General case' 0 N--CA 1.43 -1.449 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.216 175.416 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 96' ' ' ILE . . . . . 0.773 HD13 ' HB1' ' A' ' 47' ' ' ALA . 19.0 tt -66.78 142.29 16.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.875 -178.244 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 97' ' ' GLY . . . . . . . . . . . . . . . -89.51 -103.89 1.1 Allowed Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 121.027 -0.606 . . . . 0.0 112.29 178.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 98' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -128.22 113.48 15.74 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.888 0.375 . . . . 0.0 110.997 -178.006 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 99' ' ' VAL . . . . . 0.584 HG12 ' HB2' ' A' ' 93' ' ' SER . 9.9 m -98.01 154.45 3.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.384 176.441 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 100' ' ' SER . . . . . . . . . . . . . 29.5 m -129.17 151.12 50.19 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 116.261 -0.427 . . . . 0.0 109.898 179.816 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 16.1 p -83.89 22.03 1.21 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.024 0.44 . . . . 0.0 111.1 -178.677 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 47.6 t -109.09 113.07 43.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.544 -176.789 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . 112.73 -9.38 25.77 Favored Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.465 -0.874 . . . . 0.0 112.898 177.544 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 104' ' ' VAL . . . . . . . . . . . . . 48.3 t -58.97 -33.07 48.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.59 0.195 . . . . 0.0 110.651 179.325 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -48.52 -40.87 28.31 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-O 121.457 0.646 . . . . 0.0 110.324 178.786 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 22.7 m -72.96 -30.51 63.89 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 115.67 -0.695 . . . . 0.0 111.452 -179.436 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 21.9 m -70.27 -30.59 67.66 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-O 120.914 0.388 . . . . 0.0 110.299 -176.503 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 108' ' ' LEU . . . . . 0.676 HD12 ' HB3' ' A' ' 30' ' ' LEU . 4.2 mm? -57.45 -34.08 68.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.767 176.089 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 109' ' ' ASN . . . . . . . . . . . . . 14.7 m-80 -68.69 -23.43 64.38 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.185 -178.692 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 110' ' ' VAL . . . . . . . . . . . . . 38.7 t -84.81 -39.39 14.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.587 -178.303 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 111' ' ' VAL . . . . . 0.57 HG12 ' O ' ' B' ' 108' ' ' LEU . 7.7 p -64.0 -30.06 49.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 121.132 0.491 . . . . 0.0 110.274 -179.086 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 112' ' ' GLN . . . . . 0.523 ' HG3' ' O ' ' B' ' 108' ' ' LEU . 24.5 mt-30 -68.02 -24.06 65.07 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.686 178.894 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 113' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -82.32 -35.98 27.4 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.321 -0.854 . . . . 0.0 110.754 -175.252 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 12.1 m -78.85 -44.62 22.53 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.471 -0.786 . . . . 0.0 111.814 -172.372 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 115' ' ' VAL . . . . . 0.463 HG12 ' O ' ' B' ' 111' ' ' VAL . 10.4 p -108.39 -16.92 8.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 120.893 0.378 . . . . 0.0 111.374 -173.876 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 116' ' ' GLY . . . . . . . . . . . . . . . -62.36 -20.23 60.76 Favored Glycine 0 C--O 1.228 -0.251 0 C-N-CA 121.196 -0.526 . . . . 0.0 113.005 -178.251 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -93.92 7.38 45.21 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.675 0.274 . . . . 0.0 111.304 -179.73 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 118' ' ' TYR . . . . . 0.5 ' HB3' HD23 ' B' ' 76' ' ' LEU . 82.4 m-85 -118.42 -26.78 6.14 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.152 0.501 . . . . 0.0 110.271 176.428 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 119' ' ' VAL . . . . . 0.411 HG21 HG21 ' A' ' 27' ' ' VAL . 34.3 m -91.08 -1.98 10.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.831 174.846 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.009 0 CA-C-O 118.402 -1.221 . . . . 0.0 111.804 178.546 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.855 0 N-CA-C 111.579 -0.608 . . . . 0.0 111.579 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 20.1 m -75.98 90.5 3.0 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.251 0.548 . . . . 0.0 110.0 178.373 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . 89.8 98.16 1.1 Allowed Glycine 0 N--CA 1.443 -0.853 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.373 -175.45 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' -2' ' ' ASN . . . . . . . . . . . . . 87.5 m-20 -82.34 101.57 10.67 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.144 0.497 . . . . 0.0 110.544 -178.034 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 3.3 p -86.58 89.83 8.04 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.493 178.572 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 58.4 t -88.32 112.94 24.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 115.516 -0.766 . . . . 0.0 110.381 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 13.8 t -144.67 152.16 40.03 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.145 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.8 t -160.34 160.54 32.53 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.762 -0.459 . . . . 0.0 109.762 -175.816 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 166.23 162.79 18.47 Favored Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 120.906 -0.664 . . . . 0.0 111.79 -178.868 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 150.45 -172.93 30.18 Favored Glycine 0 N--CA 1.446 -0.647 0 C-N-CA 121.007 -0.616 . . . . 0.0 111.661 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.438 ' HA ' ' HA ' ' A' ' 10' ' ' THR . 23.6 p90 -147.63 -178.83 6.47 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.047 0.451 . . . . 0.0 111.228 178.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 151.26 -114.98 0.67 Allowed Glycine 0 N--CA 1.45 -0.401 0 N-CA-C 109.906 -1.278 . . . . 0.0 109.906 -175.774 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 60.7 m-85 -78.03 -45.56 23.32 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 108.299 -1.001 . . . . 0.0 108.299 166.846 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -91.5 98.39 2.43 Favored Glycine 0 N--CA 1.444 -0.791 0 N-CA-C 110.109 -1.196 . . . . 0.0 110.109 169.724 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.438 ' HA ' ' HA ' ' A' ' 6' ' ' TYR . 40.0 p -86.96 2.74 48.43 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 112.185 0.439 . . . . 0.0 112.185 -172.342 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 61.8 m -154.45 -168.8 3.03 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 -177.588 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -75.15 -16.78 60.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.286 0.565 . . . . 0.0 111.071 -178.121 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -77.45 93.28 4.08 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.502 -0.772 . . . . 0.0 109.921 175.859 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -84.59 85.46 7.42 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.046 -176.479 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.58 ' HA3' ' N ' ' A' ' 25' ' ' GLY . . . 139.57 -169.58 24.53 Favored Glycine 0 N--CA 1.443 -0.893 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.572 176.387 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.473 ' HA ' ' OE2' ' A' ' 74' ' ' GLU . . . 60.41 83.63 0.14 Allowed 'General case' 0 C--O 1.234 0.279 0 CA-C-O 121.434 0.635 . . . . 0.0 111.168 -179.063 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 72.19 48.5 25.22 Favored Glycine 0 N--CA 1.448 -0.525 0 CA-C-N 115.556 -0.747 . . . . 0.0 112.442 -177.266 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.477 ' CG2' ' HA ' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -90.7 -66.31 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 120.817 0.342 . . . . 0.0 110.863 176.345 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.433 ' H ' HG23 ' A' ' 18' ' ' VAL . . . -104.39 175.14 5.59 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 178.091 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -75.06 -32.38 61.5 Favored 'General case' 0 C--N 1.322 -0.62 0 C-N-CA 121.115 -0.234 . . . . 0.0 111.007 -177.561 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -131.25 5.22 5.63 Favored Glycine 0 CA--C 1.52 0.399 0 C-N-CA 120.53 -0.843 . . . . 0.0 113.338 -178.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 22.9 m -132.65 138.81 47.46 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.943 0.372 . . . . 0.0 111.058 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.477 ' HA ' ' CG2' ' A' ' 18' ' ' VAL . 0.2 OUTLIER -153.14 124.38 7.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.413 -177.544 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -86.96 -19.79 28.25 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.813 0.34 . . . . 0.0 111.002 176.786 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.58 ' N ' ' HA3' ' A' ' 15' ' ' GLY . . . -61.18 -31.94 78.74 Favored Glycine 0 CA--C 1.511 -0.158 0 C-N-CA 121.176 -0.535 . . . . 0.0 112.306 -178.325 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.491 ' HB1' ' HB2' ' A' ' 78' ' ' GLN . . . -67.9 -20.69 65.13 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.209 0.528 . . . . 0.0 110.406 177.777 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.485 ' CG1' ' HA ' ' B' ' 112' ' ' GLN . 3.5 t -89.43 -42.67 14.55 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.486 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.332 -177.094 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 24.8 m120 -63.96 -31.76 73.06 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.211 0.529 . . . . 0.0 110.286 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 -65.85 -18.85 65.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.475 -178.477 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.671 HD11 ' HB3' ' A' ' 81' ' ' LEU . 79.0 mt -63.24 -27.98 69.71 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.94 0.4 . . . . 0.0 111.801 -176.652 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 63.1 p -73.12 -6.81 48.15 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.0 -178.265 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 49.9 m -81.78 158.14 24.23 Favored 'General case' 0 N--CA 1.442 -0.847 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 177.113 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.25 -17.77 63.91 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 111.767 0.284 . . . . 0.0 111.767 -175.787 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -52.81 -58.11 7.99 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.963 179.127 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.646 ' O ' HG23 ' A' ' 39' ' ' VAL . . . -57.59 -57.72 11.46 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.729 179.595 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.13 -37.23 33.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.786 -176.418 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 22.1 t -70.07 -23.2 63.03 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.797 -177.759 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.446 ' HD2' ' OE1' ' A' ' 82' ' ' GLU . 61.7 mtt180 -96.2 -49.51 5.2 Favored 'General case' 0 CA--C 1.514 -0.434 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 -179.586 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.646 HG23 ' O ' ' A' ' 35' ' ' ALA . 39.0 t -57.78 -37.18 58.36 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-N 114.247 -1.342 . . . . 0.0 111.562 -176.516 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 69.4 p -73.93 -4.7 36.72 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-O 120.735 0.302 . . . . 0.0 111.633 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 19.6 t -100.66 -11.58 19.88 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.63 0.729 . . . . 0.0 109.499 176.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.444 ' HB3' HG11 ' A' ' 57' ' ' VAL . 11.5 m120 -96.43 -25.7 15.6 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.402 -0.817 . . . . 0.0 109.748 -175.831 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.559 HG13 ' N ' ' A' ' 44' ' ' ALA . 5.2 pt -57.11 -40.08 70.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 114.91 -1.041 . . . . 0.0 111.722 -176.802 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.559 ' N ' HG13 ' A' ' 43' ' ' ILE . . . -80.89 -1.56 43.91 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.798 0.332 . . . . 0.0 111.562 -175.379 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -104.01 -50.59 3.34 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.07 0.462 . . . . 0.0 110.525 178.789 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.494 HG21 ' HB3' ' A' ' 87' ' ' LEU . 50.3 mt -65.81 -33.85 66.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.698 -177.813 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.437 ' HB1' HD13 ' B' ' 96' ' ' ILE . . . -63.03 -23.43 67.45 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.979 -178.879 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 59.3 m -91.05 -33.39 15.52 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 112.367 0.506 . . . . 0.0 112.367 -175.48 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -112.47 -20.52 6.54 Favored Glycine 0 CA--C 1.517 0.187 0 C-N-CA 120.124 -1.036 . . . . 0.0 113.486 -175.097 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 76.21 -83.1 0.98 Allowed Glycine 0 N--CA 1.445 -0.766 0 N-CA-C 111.153 -0.779 . . . . 0.0 111.153 -178.037 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -106.95 -21.44 13.01 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-O 121.048 0.451 . . . . 0.0 110.568 -179.168 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 39.7 m -72.22 -9.48 58.51 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.136 -177.778 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.422 ' HB3' ' HA ' ' A' ' 46' ' ' ILE . . . -104.62 -9.7 18.07 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.081 -178.418 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.446 HD11 HG11 ' B' ' 88' ' ' VAL . 47.4 mt -57.74 -58.67 16.76 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.631 -176.155 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.413 ' HD2' ' N ' ' A' ' 54' ' ' LEU . 19.1 Cg_endo -61.28 -29.99 87.15 Favored 'Trans proline' 0 C--N 1.351 0.683 0 C-N-CA 121.803 1.669 . . . . 0.0 112.391 -177.787 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 13.6 m -76.57 -32.68 58.3 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.124 0.488 . . . . 0.0 111.061 -177.868 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.444 HG11 ' HB3' ' A' ' 42' ' ' ASN . 76.0 t -90.9 -39.83 12.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.782 -175.139 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.527 HG12 ' HG ' ' A' ' 83' ' ' LEU . 66.6 mt -59.37 -37.74 71.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.892 0.377 . . . . 0.0 110.33 177.327 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 47.1 t -62.93 -41.31 99.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.946 179.096 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 79.9 m-20 -62.37 -52.45 63.57 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.496 -0.775 . . . . 0.0 111.238 179.501 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.414 ' O ' HG23 ' A' ' 65' ' ' VAL . 44.7 mt -65.72 -46.89 87.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.912 -0.586 . . . . 0.0 111.378 -177.74 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.42 ' O ' HG23 ' A' ' 66' ' ' VAL . 53.8 t80 -57.18 -49.52 75.72 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.733 0.301 . . . . 0.0 110.684 -177.15 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 13.3 t -62.9 -30.13 71.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.474 179.758 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -72.27 -42.49 49.79 Favored Glycine 0 N--CA 1.452 -0.294 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.825 179.052 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.705 HG12 HG11 ' A' ' 70' ' ' VAL . 85.7 t -69.18 -44.79 80.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 115.488 -0.356 . . . . 0.0 111.138 -179.442 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.42 HG23 ' O ' ' A' ' 62' ' ' TYR . 80.2 t -60.17 -41.39 86.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.204 -179.429 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.0 -18.09 59.33 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.737 -179.699 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 45.2 t -72.63 -21.73 61.06 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.104 -179.058 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 96.81 39.06 4.22 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.506 -0.854 . . . . 0.0 111.832 -176.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.705 HG11 HG12 ' A' ' 65' ' ' VAL . 14.7 p -94.99 164.51 2.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 N-CA-C 109.917 -0.401 . . . . 0.0 109.917 178.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.417 ' N ' HG22 ' A' ' 70' ' ' VAL . 31.1 t -66.85 164.96 16.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.641 0.258 . . . . 0.0 110.38 177.088 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 5.3 p -63.37 -69.32 0.28 Allowed 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.309 0.485 . . . . 0.0 112.309 -173.299 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.413 ' HB3' ' OH ' ' A' ' 23' ' ' TYR . 0.2 OUTLIER -69.54 -24.35 63.71 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.099 0.476 . . . . 0.0 110.286 -177.372 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.473 ' OE2' ' HA ' ' A' ' 16' ' ' ALA . 33.5 tt0 -68.64 -33.17 73.55 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.128 -0.487 . . . . 0.0 109.881 178.728 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.52 ' HB2' HG13 ' A' ' 70' ' ' VAL . . . -61.93 -40.02 94.07 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.621 176.348 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.512 HD23 ' HB3' ' A' ' 118' ' ' TYR . 2.8 tm? -56.67 -50.86 70.85 Favored 'General case' 0 CA--C 1.516 -0.337 0 N-CA-C 109.473 -0.565 . . . . 0.0 109.473 177.625 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.71 ' O ' ' HG ' ' A' ' 81' ' ' LEU . 36.1 mm -60.2 -55.56 23.4 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.984 -177.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' GLN . . . . . 0.491 ' HB2' ' HB1' ' A' ' 26' ' ' ALA . 21.3 tt0 -57.32 -45.89 83.77 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 120.544 0.212 . . . . 0.0 111.176 -179.751 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -59.99 -41.28 91.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.936 0.398 . . . . 0.0 110.676 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.567 ' O ' HD23 ' A' ' 84' ' ' LEU . 3.5 mm? -67.45 -42.61 82.79 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.126 177.861 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.71 ' HG ' ' O ' ' A' ' 77' ' ' ILE . 74.5 mt -59.78 -45.48 92.15 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.81 0.338 . . . . 0.0 111.057 -179.251 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.446 ' OE1' ' HD2' ' A' ' 38' ' ' ARG . 59.7 mt-10 -64.63 -40.46 95.51 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.092 0.472 . . . . 0.0 110.579 177.409 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.527 ' HG ' HG12 ' A' ' 58' ' ' ILE . 3.5 tm? -60.9 -43.69 98.17 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.22 177.025 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.578 HD21 HD21 ' B' ' 84' ' ' LEU . 3.9 mm? -66.95 -9.36 37.62 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.706 -0.679 . . . . 0.0 112.13 -178.18 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 35.7 m -95.99 -30.91 13.33 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.002 0.429 . . . . 0.0 110.933 -178.331 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.414 ' HB2' HG13 ' A' ' 39' ' ' VAL . . . -68.67 -43.5 76.04 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.239 0.542 . . . . 0.0 111.078 -177.345 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.494 ' HB3' HG21 ' A' ' 46' ' ' ILE . 1.1 pp -80.23 -18.97 47.98 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.631 -0.713 . . . . 0.0 112.794 -171.864 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.454 ' N ' HD12 ' A' ' 87' ' ' LEU . 17.6 m -91.13 -19.72 7.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 C-N-CA 120.228 -0.589 . . . . 0.0 110.441 176.37 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 51.9 t60 -72.8 -34.44 66.9 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.046 177.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.479 ' HA ' HG11 ' B' ' 99' ' ' VAL . 27.5 m -65.73 -28.33 43.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 C-N-CA 120.747 -0.381 . . . . 0.0 111.215 -175.691 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.525 ' HA ' ' HB3' ' A' ' 94' ' ' ALA . 4.1 mm? -65.56 -18.69 65.51 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-O 120.722 0.296 . . . . 0.0 111.294 179.496 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 36.3 t -63.84 -25.72 68.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.826 177.752 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.592 ' HB2' HG12 ' B' ' 99' ' ' VAL . 66.1 m -120.75 -17.07 8.07 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.379 0.609 . . . . 0.0 110.981 -179.348 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.53 ' HA ' ' HA ' ' B' ' 96' ' ' ILE . . . -77.89 97.24 5.22 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.117 179.528 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 5.5 p -71.34 88.34 0.87 Allowed 'General case' 0 N--CA 1.427 -1.607 0 CA-C-N 115.038 -0.983 . . . . 0.0 110.612 177.438 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.701 HD13 ' HB1' ' B' ' 47' ' ' ALA . 20.1 tt -65.64 142.0 17.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-O 120.884 0.373 . . . . 0.0 111.346 -178.807 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -90.24 -84.21 1.37 Allowed Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 120.931 -0.652 . . . . 0.0 111.939 178.435 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 9.8 t30 -150.21 124.06 9.27 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.611 0.243 . . . . 0.0 110.398 178.507 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.659 HG13 HD11 ' A' ' 96' ' ' ILE . 4.4 m -103.91 147.1 10.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.975 179.047 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 34.3 m -111.36 142.13 43.99 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.42 179.12 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 50.5 m -81.8 38.88 0.53 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.256 -179.284 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 58.1 t -130.48 121.35 50.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.566 -0.288 . . . . 0.0 110.391 -178.331 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 103.75 0.12 45.73 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.528 178.029 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 45.3 t -60.32 -34.01 55.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.657 0.265 . . . . 0.0 110.359 178.392 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -50.96 -42.13 59.73 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.234 179.289 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 21.6 m -67.25 -26.42 66.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.072 -179.594 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 19.9 m -76.29 -32.9 59.03 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.057 0.456 . . . . 0.0 109.906 178.722 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.514 ' O ' HG12 ' A' ' 111' ' ' VAL . 4.4 mm? -59.46 -28.57 67.11 Favored 'General case' 0 C--O 1.224 -0.268 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.756 175.322 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -73.41 -26.74 61.1 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.868 0.366 . . . . 0.0 110.856 -179.036 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 38.9 t -84.5 -37.24 12.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.089 -176.195 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.514 HG12 ' O ' ' A' ' 108' ' ' LEU . 10.8 p -60.41 -30.17 45.86 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.28 0 CA-C-O 121.337 0.589 . . . . 0.0 110.395 -179.677 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 112' ' ' GLN . . . . . 0.501 ' HG2' HG12 ' B' ' 27' ' ' VAL . 22.9 mt-30 -66.91 -27.88 67.85 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.422 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -80.49 -34.12 36.04 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.08 -177.429 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 9.9 m -74.88 -41.82 59.05 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.128 -0.942 . . . . 0.0 112.1 -171.717 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.522 HG11 HD22 ' B' ' 81' ' ' LEU . 14.6 p -121.74 -15.57 6.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 N-CA-C 111.926 0.343 . . . . 0.0 111.926 -173.07 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -57.52 -31.59 63.52 Favored Glycine 0 C--N 1.329 0.142 0 C-N-CA 121.042 -0.599 . . . . 0.0 112.505 -178.786 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -78.38 -2.85 40.26 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 111.928 0.344 . . . . 0.0 111.928 -178.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' TYR . . . . . 0.512 ' HB3' HD23 ' A' ' 76' ' ' LEU . 61.2 m-85 -111.34 -28.39 8.24 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-O 120.707 0.289 . . . . 0.0 110.849 179.564 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 35.9 m -86.65 -3.98 9.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 121.226 0.536 . . . . 0.0 110.596 175.378 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.546 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.858 177.798 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.515 0 N-CA-C 112.071 -0.412 . . . . 0.0 112.071 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' -4' ' ' SER . . . . . . . . . . . . . 11.5 m -99.72 -62.03 1.29 Allowed 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.8 0.333 . . . . 0.0 110.898 -179.396 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' -3' ' ' GLY . . . . . . . . . . . . . . . -120.01 93.57 0.54 Allowed Glycine 0 N--CA 1.446 -0.691 0 C-N-CA 120.917 -0.659 . . . . 0.0 112.303 -177.447 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' -2' ' ' ASN . . . . . . . . . . . . . 15.2 m120 -125.39 27.87 6.45 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.118 0.485 . . . . 0.0 110.318 178.384 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' -1' ' ' SER . . . . . . . . . . . . . 10.0 p -78.22 90.8 4.32 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.382 179.747 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 58.3 t -73.16 101.93 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 121.24 0.543 . . . . 0.0 110.511 179.673 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 6.8 p -118.48 100.98 7.8 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.154 179.14 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 8.5 t -102.49 145.3 29.77 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.739 -175.252 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -176.89 43.75 0.1 Allowed Glycine 0 N--CA 1.448 -0.52 0 N-CA-C 111.603 -0.599 . . . . 0.0 111.603 179.72 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -71.17 105.45 1.64 Allowed Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 121.208 -0.52 . . . . 0.0 112.274 -178.624 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 6' ' ' TYR . . . . . . . . . . . . . 51.5 p90 -71.79 163.06 28.49 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.858 0.361 . . . . 0.0 110.415 179.794 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . 137.86 -92.68 0.21 Allowed Glycine 0 N--CA 1.447 -0.6 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 -178.321 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 58.9 m-85 -131.42 99.22 4.76 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 173.376 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 109.28 64.71 0.55 Allowed Glycine 0 N--CA 1.447 -0.587 0 N-CA-C 111.295 -0.722 . . . . 0.0 111.295 -174.315 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 76.2 p -77.52 -47.05 20.53 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.048 0.451 . . . . 0.0 111.12 -176.175 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 34.9 m -73.46 178.52 4.56 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.824 -179.188 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -73.26 1.14 10.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.025 0.44 . . . . 0.0 111.315 -179.599 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -107.65 53.29 0.69 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.97 -0.559 . . . . 0.0 109.999 176.66 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.94 112.15 1.56 Allowed 'General case' 0 C--O 1.234 0.281 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.984 -177.747 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 135.6 -169.14 23.61 Favored Glycine 0 N--CA 1.441 -1.0 0 N-CA-C 110.929 -0.868 . . . . 0.0 110.929 -177.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 16' ' ' ALA . . . . . 0.569 ' HA ' ' OE2' ' B' ' 74' ' ' GLU . . . 64.3 94.49 0.05 Allowed 'General case' 0 C--O 1.233 0.224 0 CA-C-O 121.302 0.573 . . . . 0.0 111.654 177.326 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 70.93 20.63 77.88 Favored Glycine 0 CA--C 1.519 0.329 0 CA-C-N 115.672 -0.695 . . . . 0.0 113.192 179.811 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 18' ' ' VAL . . . . . 0.429 ' CG2' ' HA ' ' B' ' 23' ' ' TYR . 0.2 OUTLIER -66.99 -57.18 10.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 N-CA-C 112.015 0.376 . . . . 0.0 112.015 -178.578 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -117.04 -171.12 1.97 Allowed 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.71 -0.223 . . . . 0.0 110.542 -178.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -79.83 -40.24 28.95 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.771 0.32 . . . . 0.0 111.436 -176.027 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -137.56 16.26 3.57 Favored Glycine 0 N--CA 1.453 -0.198 0 C-N-CA 120.903 -0.665 . . . . 0.0 111.884 179.28 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 51.4 m -131.0 129.23 41.81 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.684 -0.258 . . . . 0.0 110.678 -179.752 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 23' ' ' TYR . . . . . 0.527 ' CE1' ' HA ' ' B' ' 74' ' ' GLU . 0.2 OUTLIER -150.75 123.45 8.58 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.508 -0.315 . . . . 0.0 110.548 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -81.36 -25.54 36.25 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.069 177.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.7 -28.48 71.64 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.951 -0.642 . . . . 0.0 112.694 -178.576 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 26' ' ' ALA . . . . . 0.525 ' HB1' ' HB2' ' B' ' 78' ' ' GLN . . . -71.73 -20.71 61.86 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.394 0.616 . . . . 0.0 110.336 178.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 27' ' ' VAL . . . . . 0.501 HG12 ' HG2' ' A' ' 112' ' ' GLN . 2.5 t -88.29 -38.14 11.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 115.187 -0.915 . . . . 0.0 110.172 -178.448 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 71.4 m-20 -73.5 -7.41 51.7 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.229 -174.454 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 79.5 ttt180 -96.64 -1.5 46.66 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.572 0.701 . . . . 0.0 110.404 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 30' ' ' LEU . . . . . 0.545 HD11 ' HB3' ' B' ' 81' ' ' LEU . 91.4 mt -75.86 -29.09 58.43 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.554 -176.106 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 7.6 p -77.7 8.43 4.48 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.113 0.482 . . . . 0.0 111.1 179.374 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 74.3 m -85.43 159.11 20.04 Favored 'General case' 0 N--CA 1.442 -0.861 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.385 176.192 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.9 -16.58 63.98 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.985 0.422 . . . . 0.0 110.93 -179.592 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 34' ' ' GLU . . . . . 0.401 ' O ' ' HG3' ' B' ' 38' ' ' ARG . 32.7 mt-10 -56.94 -63.67 1.13 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.455 176.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 35' ' ' ALA . . . . . 0.521 ' O ' HG23 ' B' ' 39' ' ' VAL . . . -57.45 -52.05 66.95 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.02 -178.882 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -55.86 -22.83 27.34 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.273 0.471 . . . . 0.0 112.273 -176.727 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 7.7 t -88.04 -20.49 25.7 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.679 0.276 . . . . 0.0 111.339 -179.598 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 38' ' ' ARG . . . . . 0.521 ' HD2' ' OE1' ' B' ' 82' ' ' GLU . 66.8 mtt180 -96.04 -49.39 5.29 Favored 'General case' 0 CA--C 1.514 -0.429 0 CA-C-O 121.651 0.738 . . . . 0.0 109.041 -179.424 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 39' ' ' VAL . . . . . 0.521 HG23 ' O ' ' B' ' 35' ' ' ALA . 49.0 t -58.21 -34.25 49.25 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 114.253 -1.339 . . . . 0.0 111.167 -178.239 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 50.7 p -74.42 -9.85 58.99 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.535 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 25.9 t -93.41 -16.27 24.76 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.782 0.801 . . . . 0.0 109.139 176.38 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 42' ' ' ASN . . . . . 0.423 ' OD1' HD11 ' B' ' 61' ' ' ILE . 10.7 m120 -93.06 -27.42 16.98 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 114.94 -1.027 . . . . 0.0 109.812 -174.032 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 43' ' ' ILE . . . . . 0.577 HG13 ' N ' ' B' ' 44' ' ' ALA . 4.4 pt -56.88 -37.62 55.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 115.286 -0.87 . . . . 0.0 111.219 -179.607 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 44' ' ' ALA . . . . . 0.577 ' N ' HG13 ' B' ' 43' ' ' ILE . . . -83.64 -1.51 54.11 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.981 0.419 . . . . 0.0 111.555 -176.397 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -104.81 -52.01 2.95 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.645 179.479 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 46' ' ' ILE . . . . . 0.463 HG21 ' HB3' ' B' ' 87' ' ' LEU . 44.6 mt -66.05 -33.0 60.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.781 -177.826 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 47' ' ' ALA . . . . . 0.701 ' HB1' HD13 ' A' ' 96' ' ' ILE . . . -61.69 -29.63 70.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.987 179.362 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 18.0 m -91.18 -35.35 14.58 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.798 -175.424 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -96.41 -23.29 16.91 Favored Glycine 0 CA--C 1.518 0.241 0 C-N-CA 120.486 -0.864 . . . . 0.0 113.24 -175.731 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 76.5 -75.94 1.57 Allowed Glycine 0 N--CA 1.449 -0.438 0 N-CA-C 111.559 -0.616 . . . . 0.0 111.559 -179.613 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -122.84 -27.13 4.33 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 121.011 0.434 . . . . 0.0 110.401 179.479 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 12.0 m -71.13 -10.24 59.42 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.564 -177.682 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -90.64 -15.74 29.88 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.676 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 54' ' ' LEU . . . . . 0.443 HD11 HG11 ' A' ' 88' ' ' VAL . 53.7 mt -54.9 -58.02 16.58 Favored Pre-proline 0 CA--C 1.533 0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.62 -178.441 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 55' ' ' PRO . . . . . 0.404 ' HD2' ' N ' ' B' ' 54' ' ' LEU . 20.3 Cg_endo -62.65 -24.82 75.04 Favored 'Trans proline' 0 C--N 1.353 0.766 0 C-N-CA 122.032 1.821 . . . . 0.0 112.506 -179.018 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 8.2 m -78.72 -39.31 36.76 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.228 0.537 . . . . 0.0 110.607 178.768 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 69.1 t -86.33 -40.53 14.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.151 -172.545 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 58' ' ' ILE . . . . . 0.541 HG12 HD22 ' B' ' 83' ' ' LEU . 62.3 mt -58.04 -45.37 88.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 121.074 0.464 . . . . 0.0 110.527 178.074 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 62.8 m -66.73 -23.18 66.07 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.725 -177.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 -77.85 -53.9 6.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.754 177.497 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 61' ' ' ILE . . . . . 0.423 HD11 ' OD1' ' B' ' 42' ' ' ASN . 40.4 mt -62.86 -45.35 99.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.127 -178.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 62' ' ' TYR . . . . . 0.456 ' O ' HG23 ' B' ' 66' ' ' VAL . 59.6 t80 -56.18 -49.28 74.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.6 -176.767 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 32.2 m -59.53 -33.76 71.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.45 178.406 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -66.87 -40.59 93.63 Favored Glycine 0 N--CA 1.45 -0.374 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.672 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 65' ' ' VAL . . . . . 0.668 HG12 HG11 ' B' ' 70' ' ' VAL . 44.9 t -71.95 -46.18 61.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-O 120.832 0.349 . . . . 0.0 110.966 179.673 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 66' ' ' VAL . . . . . 0.456 HG23 ' O ' ' B' ' 62' ' ' TYR . 86.7 t -59.77 -35.08 58.0 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.242 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.116 -178.415 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -70.5 -6.85 39.18 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.846 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 34.0 t -88.88 -12.68 41.11 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 111.628 0.233 . . . . 0.0 111.628 -177.794 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 94.13 32.25 7.58 Favored Glycine 0 CA--C 1.515 0.09 0 C-N-CA 120.308 -0.949 . . . . 0.0 112.029 -178.254 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.668 HG11 HG12 ' B' ' 65' ' ' VAL . 12.6 p -85.98 162.71 2.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 C-N-CA 122.619 0.368 . . . . 0.0 110.052 179.449 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 33.4 t -70.81 156.52 39.44 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.931 -0.396 . . . . 0.0 109.931 175.496 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 10.0 p -57.23 -64.04 1.02 Allowed 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.398 0.518 . . . . 0.0 112.398 -173.226 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 73' ' ' ASN . . . . . 0.485 ' HB3' ' OH ' ' B' ' 23' ' ' TYR . 0.2 OUTLIER -71.57 -20.53 62.0 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.11 0.481 . . . . 0.0 110.217 -176.901 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 74' ' ' GLU . . . . . 0.569 ' OE2' ' HA ' ' B' ' 16' ' ' ALA . 35.2 tt0 -74.94 -32.81 61.84 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.178 179.457 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 75' ' ' ALA . . . . . 0.415 ' HB2' HG13 ' B' ' 70' ' ' VAL . . . -58.38 -38.95 78.35 Favored 'General case' 0 CA--C 1.519 -0.22 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.721 176.91 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 76' ' ' LEU . . . . . 0.525 HD23 ' HB3' ' B' ' 118' ' ' TYR . 2.3 tm? -55.86 -49.32 73.68 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.053 179.191 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 77' ' ' ILE . . . . . 0.723 ' O ' ' HG ' ' B' ' 81' ' ' LEU . 37.2 mm -64.67 -56.22 17.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.262 -175.347 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 78' ' ' GLN . . . . . 0.525 ' HB2' ' HB1' ' B' ' 26' ' ' ALA . 20.6 tt0 -56.71 -45.87 81.58 Favored 'General case' 0 N--CA 1.464 0.246 0 C-N-CA 120.98 -0.288 . . . . 0.0 110.953 -179.569 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -59.36 -43.17 92.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.945 0.402 . . . . 0.0 110.87 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 80' ' ' LEU . . . . . 0.619 ' O ' HD23 ' B' ' 84' ' ' LEU . 2.7 mm? -65.1 -42.37 94.09 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.103 177.898 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 81' ' ' LEU . . . . . 0.723 ' HG ' ' O ' ' B' ' 77' ' ' ILE . 41.5 mt -65.22 -40.46 94.12 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.692 0.282 . . . . 0.0 111.392 -176.541 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 82' ' ' GLU . . . . . 0.521 ' OE1' ' HD2' ' B' ' 38' ' ' ARG . 54.1 mt-10 -63.23 -41.9 99.16 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.956 0.408 . . . . 0.0 110.153 174.861 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 83' ' ' LEU . . . . . 0.541 HD22 HG12 ' B' ' 58' ' ' ILE . 32.0 tp -59.22 -45.29 91.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.091 0.472 . . . . 0.0 111.353 176.283 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 84' ' ' LEU . . . . . 0.619 HD23 ' O ' ' B' ' 80' ' ' LEU . 3.8 mm? -64.9 -5.9 7.14 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.463 -0.79 . . . . 0.0 112.132 -176.133 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 85' ' ' SER . . . . . 0.416 ' OG ' HD13 ' A' ' 108' ' ' LEU . 21.4 m -100.29 -25.02 14.39 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 120.871 0.367 . . . . 0.0 110.918 -179.746 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 86' ' ' ALA . . . . . 0.468 ' HB2' HG13 ' B' ' 39' ' ' VAL . . . -74.6 -47.01 34.8 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.65 0.738 . . . . 0.0 110.629 -176.635 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 87' ' ' LEU . . . . . 0.476 HD12 HG13 ' B' ' 88' ' ' VAL . 0.9 OUTLIER -77.93 -14.87 59.39 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 114.979 -1.009 . . . . 0.0 112.775 -172.061 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 88' ' ' VAL . . . . . 0.476 HG13 HD12 ' B' ' 87' ' ' LEU . 19.8 m -96.12 -19.01 6.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 121.009 0.433 . . . . 0.0 110.642 176.528 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 89' ' ' HIS . . . . . . . . . . . . . 60.9 t60 -74.1 -34.26 63.9 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.825 177.735 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 90' ' ' VAL . . . . . 0.439 ' HA ' HG11 ' A' ' 99' ' ' VAL . 34.3 m -66.27 -27.11 39.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.574 -175.454 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 91' ' ' LEU . . . . . 0.655 ' HA ' ' HB3' ' B' ' 94' ' ' ALA . 3.8 mm? -66.38 -22.47 66.25 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.657 -0.247 . . . . 0.0 111.101 -178.826 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 11.2 t -63.13 -27.18 69.2 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.215 0.531 . . . . 0.0 110.333 178.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 93' ' ' SER . . . . . 0.537 ' HB2' HG12 ' A' ' 99' ' ' VAL . 8.7 m -120.93 14.19 11.52 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-O 121.191 0.52 . . . . 0.0 110.33 179.747 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 94' ' ' ALA . . . . . 0.655 ' HB3' ' HA ' ' B' ' 91' ' ' LEU . . . -110.38 97.26 6.76 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.793 -178.407 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 1.5 m -68.22 88.54 0.3 Allowed 'General case' 0 N--CA 1.429 -1.496 0 CA-C-N 115.49 -0.777 . . . . 0.0 111.023 177.698 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 96' ' ' ILE . . . . . 0.672 HD11 HG13 ' B' ' 99' ' ' VAL . 9.9 tt -68.24 139.19 21.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 121.026 0.441 . . . . 0.0 111.77 179.804 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 97' ' ' GLY . . . . . . . . . . . . . . . -86.48 -95.19 0.84 Allowed Glycine 0 N--CA 1.449 -0.469 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.805 177.222 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 98' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -139.65 113.67 8.83 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.842 0.353 . . . . 0.0 110.944 179.48 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 99' ' ' VAL . . . . . 0.672 HG13 HD11 ' B' ' 96' ' ' ILE . 4.0 m -92.23 137.98 20.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.787 176.864 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 100' ' ' SER . . . . . . . . . . . . . 47.4 m -98.01 143.97 28.02 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.015 177.37 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 16.4 m -82.82 11.7 5.69 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.368 0.604 . . . . 0.0 110.495 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 51.0 t -110.58 121.42 63.31 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.519 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.036 -177.572 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . 112.14 -2.39 26.89 Favored Glycine 0 N--CA 1.448 -0.509 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.922 177.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 104' ' ' VAL . . . . . . . . . . . . . 37.9 t -61.29 -29.53 46.07 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.217 0 CA-C-N 116.828 0.314 . . . . 0.0 110.778 178.705 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -47.9 -41.51 24.66 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 121.337 0.589 . . . . 0.0 111.225 178.013 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 13.4 m -64.88 -34.36 78.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.412 -179.29 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 14.4 m -70.93 -34.96 72.01 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.639 -175.353 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 108' ' ' LEU . . . . . 0.565 ' O ' HG12 ' B' ' 111' ' ' VAL . 4.3 mm? -59.23 -36.57 75.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.606 177.087 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 109' ' ' ASN . . . . . . . . . . . . . 17.9 m-80 -67.89 -25.64 65.61 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.378 -178.544 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 110' ' ' VAL . . . . . . . . . . . . . 39.9 t -85.86 -39.78 13.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.054 -176.54 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 111' ' ' VAL . . . . . 0.565 HG12 ' O ' ' B' ' 108' ' ' LEU . 7.1 p -60.88 -26.66 39.35 Favored 'Isoleucine or valine' 0 C--O 1.234 0.266 0 CA-C-O 121.315 0.579 . . . . 0.0 110.497 -178.512 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 112' ' ' GLN . . . . . 0.556 ' HG3' ' O ' ' B' ' 108' ' ' LEU . 24.0 mt-30 -67.84 -20.58 65.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.299 -179.588 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 113' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -85.06 -36.99 20.84 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-O 121.41 0.624 . . . . 0.0 110.066 -176.385 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 114' ' ' SER . . . . . 0.426 ' HB3' HD12 ' B' ' 58' ' ' ILE . 4.8 m -76.04 -46.34 29.77 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.17 -0.923 . . . . 0.0 111.894 -171.667 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 115' ' ' VAL . . . . . 0.409 HG12 ' O ' ' B' ' 111' ' ' VAL . 10.3 p -108.42 -20.14 6.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-O 120.951 0.405 . . . . 0.0 111.372 -172.746 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 116' ' ' GLY . . . . . . . . . . . . . . . -59.77 -29.12 66.73 Favored Glycine 0 C--O 1.228 -0.223 0 CA-C-N 116.17 -0.468 . . . . 0.0 113.294 -176.378 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -82.24 -7.68 59.63 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 122.728 -0.278 . . . . 0.0 111.626 -178.148 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 118' ' ' TYR . . . . . 0.525 ' HB3' HD23 ' B' ' 76' ' ' LEU . 87.9 m-85 -101.58 -30.56 11.31 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.004 0.431 . . . . 0.0 110.806 179.103 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 119' ' ' VAL . . . . . . . . . . . . . 35.9 m -88.99 -3.36 9.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.418 179.107 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.131 0 CA-C-O 118.849 -0.973 . . . . 0.0 112.231 -179.61 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.669 0 N-CA-C 112.066 -0.414 . . . . 0.0 112.066 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 10.9 m -78.49 158.36 28.64 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.629 0.252 . . . . 0.0 111.003 -179.016 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . -97.82 150.29 19.42 Favored Glycine 0 N--CA 1.446 -0.634 0 C-N-CA 121.161 -0.542 . . . . 0.0 112.208 178.77 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' -2' ' ' ASN . . . . . . . . . . . . . 14.9 m120 -95.94 103.39 15.27 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.872 0.368 . . . . 0.0 110.248 -179.586 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 13.6 p -82.63 12.66 4.42 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.087 -0.506 . . . . 0.0 112.138 -175.274 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 27.4 m -92.54 147.43 5.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 120.781 0.324 . . . . 0.0 110.708 -179.771 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 4.3 t -151.91 124.26 8.27 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.283 0.563 . . . . 0.0 111.0 -178.593 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 48.3 m -155.43 148.29 24.37 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.445 177.027 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 165.45 45.98 0.02 OUTLIER Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.342 -0.932 . . . . 0.0 112.917 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -115.13 5.85 21.77 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.827 -0.701 . . . . 0.0 111.904 178.433 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 30.6 p90 -92.2 -177.52 4.69 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.789 0.328 . . . . 0.0 110.646 -177.791 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 127.19 -133.36 7.92 Favored Glycine 0 N--CA 1.447 -0.584 0 N-CA-C 111.495 -0.642 . . . . 0.0 111.495 -177.575 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 36.7 t80 -71.8 -39.63 69.73 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.011 0.434 . . . . 0.0 110.614 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -106.04 45.87 1.25 Allowed Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.6 -0.81 . . . . 0.0 111.985 -179.358 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 4.1 t -77.92 -50.58 11.92 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.172 0.434 . . . . 0.0 112.172 -175.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 19.5 m -142.96 -68.52 0.35 Allowed 'General case' 0 CA--C 1.516 -0.335 0 CA-C-O 121.094 0.474 . . . . 0.0 111.469 -172.406 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -135.44 133.99 39.17 Favored 'General case' 0 N--CA 1.445 -0.707 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.605 -175.195 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -76.56 93.22 3.55 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.534 -0.757 . . . . 0.0 109.846 176.503 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -103.59 -162.87 0.94 Allowed 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.56 -0.746 . . . . 0.0 110.879 -177.444 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.615 ' O ' ' HA3' ' A' ' 25' ' ' GLY . . . -152.3 84.76 0.15 Allowed Glycine 0 N--CA 1.443 -0.838 0 C-N-CA 120.62 -0.8 . . . . 0.0 112.577 -177.632 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -172.55 94.01 0.13 Allowed 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 175.347 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 57.63 47.0 91.5 Favored Glycine 0 CA--C 1.518 0.246 0 C-N-CA 120.682 -0.771 . . . . 0.0 111.473 -171.012 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.411 HG23 ' H ' ' A' ' 19' ' ' ALA . 0.1 OUTLIER -86.18 -65.37 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 N-CA-C 111.942 0.349 . . . . 0.0 111.942 -174.74 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.411 ' H ' HG23 ' A' ' 18' ' ' VAL . . . -101.11 -174.81 2.7 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 120.569 0.224 . . . . 0.0 110.435 -178.01 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -73.33 -45.42 55.37 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.958 0.408 . . . . 0.0 110.625 -179.813 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -137.19 41.64 1.38 Allowed Glycine 0 N--CA 1.446 -0.643 0 C-N-CA 120.881 -0.675 . . . . 0.0 111.632 -178.422 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.454 ' HB3' ' O ' ' B' ' 119' ' ' VAL . 12.3 m -157.14 125.18 5.5 Favored 'General case' 0 N--CA 1.444 -0.747 0 CA-C-O 120.784 0.326 . . . . 0.0 110.512 -179.341 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.563 ' CE1' ' HA ' ' A' ' 74' ' ' GLU . 0.1 OUTLIER -150.6 117.59 5.91 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.034 179.733 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.19 -27.56 53.64 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.559 -176.733 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.615 ' HA3' ' O ' ' A' ' 15' ' ' GLY . . . -60.49 -30.76 72.49 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.931 -0.652 . . . . 0.0 112.508 -178.159 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.469 ' HB1' ' HB2' ' A' ' 78' ' ' GLN . . . -67.12 -16.61 64.43 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.102 0.477 . . . . 0.0 110.505 178.233 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.492 HG21 ' HA2' ' B' ' 116' ' ' GLY . 3.2 t -94.49 -44.03 13.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.235 -179.688 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 24.5 m120 -62.85 -33.4 75.18 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 120.945 0.402 . . . . 0.0 111.223 -177.32 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 6.1 ptp180 -73.22 -1.03 16.09 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.807 -176.58 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.716 HD11 ' HB3' ' A' ' 81' ' ' LEU . 91.0 mt -73.49 -20.66 60.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.929 0.395 . . . . 0.0 110.986 179.24 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 52.8 p -71.82 -11.48 60.83 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.568 178.437 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 32.6 t -71.34 140.86 50.39 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.749 -0.66 . . . . 0.0 109.99 179.768 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.5 -18.39 39.77 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.924 0.392 . . . . 0.0 111.339 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -57.98 -51.32 70.15 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.205 177.221 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.588 ' O ' HG23 ' A' ' 39' ' ' VAL . . . -59.39 -53.54 56.97 Favored 'General case' 0 CA--C 1.515 -0.371 0 CA-C-N 115.589 -0.732 . . . . 0.0 109.93 176.658 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -51.23 -31.73 21.75 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.904 0.383 . . . . 0.0 111.31 -179.357 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 61.1 m -76.68 -32.09 57.69 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.961 -0.563 . . . . 0.0 112.374 179.094 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 77.2 mtt-85 -90.66 -40.67 11.75 Favored 'General case' 0 CA--C 1.516 -0.333 0 CA-C-O 121.765 0.793 . . . . 0.0 109.733 -175.668 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.588 HG23 ' O ' ' A' ' 35' ' ' ALA . 43.5 t -65.41 -42.14 92.78 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.92 0 CA-C-N 114.394 -1.275 . . . . 0.0 110.841 -178.858 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.512 ' O ' HG12 ' A' ' 43' ' ' ILE . 95.7 p -71.96 -15.57 62.07 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-O 121.14 0.495 . . . . 0.0 110.887 -179.745 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 47.3 t -81.42 -7.9 59.65 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.361 179.635 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 47.3 m-80 -126.14 -2.49 7.01 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.574 -176.552 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.512 HG12 ' O ' ' A' ' 40' ' ' SER . 5.4 pt -59.35 -40.5 81.63 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.234 0 CA-C-O 121.039 0.447 . . . . 0.0 110.57 177.476 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.504 ' N ' HG13 ' A' ' 43' ' ' ILE . . . -79.88 -11.59 59.8 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.91 -177.34 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -82.58 -49.12 10.2 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.203 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 40.0 mt -67.45 -32.06 55.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.041 177.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.661 ' HB1' HD13 ' B' ' 96' ' ' ILE . . . -69.74 -2.11 11.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.402 176.662 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 30.2 t -110.82 -49.32 3.05 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.724 -179.158 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -93.25 -21.02 30.99 Favored Glycine 0 C--N 1.331 0.271 0 C-N-CA 120.532 -0.842 . . . . 0.0 113.328 -176.804 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 74.27 -74.59 1.23 Allowed Glycine 0 N--CA 1.45 -0.417 0 N-CA-C 112.009 -0.437 . . . . 0.0 112.009 -178.813 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -117.34 -25.74 6.94 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.135 0.493 . . . . 0.0 110.314 179.583 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 15.4 m -71.15 -14.39 62.26 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.675 -178.562 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -90.5 -16.57 28.65 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.09 -178.028 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.643 HD11 HG11 ' B' ' 88' ' ' VAL . 27.5 mt -56.47 -58.35 17.51 Favored Pre-proline 0 C--N 1.327 -0.406 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.875 -176.415 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.418 ' HD2' ' N ' ' A' ' 54' ' ' LEU . 18.7 Cg_endo -60.48 -24.81 79.02 Favored 'Trans proline' 0 C--N 1.354 0.833 0 C-N-CA 122.156 1.904 . . . . 0.0 112.26 -177.376 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 16.6 m -83.84 -44.59 14.16 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.882 -179.478 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 53.0 t -74.13 -39.26 50.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.099 -175.082 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.505 HG12 ' HG ' ' A' ' 83' ' ' LEU . 63.7 mt -60.68 -36.58 71.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.174 176.091 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 5.5 t -70.1 -36.0 74.55 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.302 -0.408 . . . . 0.0 109.928 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 89.0 m-20 -63.75 -48.87 75.25 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.6 178.269 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 64.8 mt -74.08 -48.47 37.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.746 -176.879 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.5 ' O ' HG23 ' A' ' 66' ' ' VAL . 54.5 t80 -53.05 -52.56 58.11 Favored 'General case' 0 N--CA 1.466 0.36 0 N-CA-C 111.505 0.187 . . . . 0.0 111.505 -177.299 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 29.5 t -62.09 -31.34 71.77 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.867 0.365 . . . . 0.0 110.392 -179.05 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -71.33 -41.07 59.73 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.792 -0.718 . . . . 0.0 111.401 178.881 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.613 HG12 HG11 ' A' ' 70' ' ' VAL . 71.5 t -65.58 -47.42 86.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-O 120.937 0.398 . . . . 0.0 110.857 177.724 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.5 HG23 ' O ' ' A' ' 62' ' ' TYR . 76.3 t -62.09 -34.45 63.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.715 -178.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -68.92 -8.34 43.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.832 179.713 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 36.2 t -79.54 -21.34 45.29 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.982 0.42 . . . . 0.0 110.287 177.442 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 101.25 14.13 31.47 Favored Glycine 0 N--CA 1.453 -0.209 0 C-N-CA 120.659 -0.781 . . . . 0.0 112.184 -178.403 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.613 HG11 HG12 ' A' ' 65' ' ' VAL . 15.0 p -71.43 157.31 6.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 N-CA-C 110.184 -0.302 . . . . 0.0 110.184 178.061 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 33.7 t -59.07 136.37 57.93 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 174.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 14.5 m -50.71 -46.91 59.19 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 112.665 0.617 . . . . 0.0 112.665 -173.664 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -77.63 -30.94 52.49 Favored 'General case' 0 C--N 1.329 -0.326 0 C-N-CA 120.935 -0.306 . . . . 0.0 110.607 -175.604 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.563 ' HA ' ' CE1' ' A' ' 23' ' ' TYR . 34.7 tt0 -69.48 -29.63 67.33 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-O 121.128 0.489 . . . . 0.0 110.049 178.204 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.469 ' HB2' HG13 ' A' ' 70' ' ' VAL . . . -60.36 -35.1 74.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.503 -0.771 . . . . 0.0 111.274 178.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.506 HD23 ' HB3' ' A' ' 118' ' ' TYR . 2.9 tm? -55.86 -52.05 65.41 Favored 'General case' 0 CA--C 1.517 -0.321 0 CA-C-O 120.999 0.428 . . . . 0.0 109.891 178.154 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.699 ' O ' ' HG ' ' A' ' 81' ' ' LEU . 39.2 mm -60.42 -54.61 32.63 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.789 -177.598 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' GLN . . . . . 0.469 ' HB2' ' HB1' ' A' ' 26' ' ' ALA . 24.2 tt0 -57.22 -46.68 82.73 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.628 0.252 . . . . 0.0 111.203 179.855 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.57 -39.2 87.12 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.834 -179.703 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.559 ' O ' HD23 ' A' ' 84' ' ' LEU . 2.7 mm? -67.47 -37.5 83.0 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.985 176.206 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.716 ' HB3' HD11 ' A' ' 30' ' ' LEU . 76.5 mt -69.65 -38.75 77.25 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.802 0.334 . . . . 0.0 111.25 -178.92 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -72.36 -12.36 61.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.399 0.619 . . . . 0.0 110.593 174.848 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.505 ' HG ' HG12 ' A' ' 58' ' ' ILE . 3.4 tm? -89.24 -44.95 9.9 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.469 175.622 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.559 HD23 ' O ' ' A' ' 80' ' ' LEU . 4.0 mm? -66.27 -12.3 55.59 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.45 -0.796 . . . . 0.0 111.991 -178.488 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.7 p -93.6 -29.72 15.33 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 120.807 0.337 . . . . 0.0 111.106 -177.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -68.69 -47.0 67.56 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.314 0.578 . . . . 0.0 110.833 -179.203 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.554 HD12 ' N ' ' A' ' 88' ' ' VAL . 1.6 pp -76.07 -25.77 55.88 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 113.034 0.753 . . . . 0.0 113.034 -172.013 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.554 ' N ' HD12 ' A' ' 87' ' ' LEU . 16.4 m -83.95 -23.71 7.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 C-N-CA 120.113 -0.635 . . . . 0.0 110.68 177.8 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 73.7 t60 -67.74 -40.16 84.17 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.233 178.028 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.496 HG22 ' O ' ' A' ' 87' ' ' LEU . 21.9 m -66.4 -26.09 36.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.502 -174.455 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.594 ' HA ' ' HB3' ' A' ' 94' ' ' ALA . 3.0 mm? -65.01 -20.08 66.32 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.221 179.227 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 22.2 t -64.91 -25.56 67.94 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.83 0.348 . . . . 0.0 110.807 -179.173 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 7.7 t -122.78 3.28 9.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.398 0.618 . . . . 0.0 110.178 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.594 ' HB3' ' HA ' ' A' ' 91' ' ' LEU . . . -94.89 100.47 12.33 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.185 177.818 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 8.9 t -77.12 89.63 3.63 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.186 0.517 . . . . 0.0 109.894 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.806 HD13 ' HB1' ' B' ' 47' ' ' ALA . 16.8 tt -69.67 143.49 14.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.488 -178.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -92.93 -112.29 2.08 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.889 -0.672 . . . . 0.0 112.281 178.523 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -122.84 112.35 17.77 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.983 0.42 . . . . 0.0 110.612 -178.821 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.569 HG12 ' HB2' ' B' ' 93' ' ' SER . 11.5 m -90.54 153.09 3.25 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.957 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 43.9 t -113.42 153.4 28.67 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 178.329 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 24.4 p -78.84 -9.58 59.52 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.395 0.617 . . . . 0.0 110.28 178.229 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 43.6 t -78.12 103.34 5.08 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.431 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.918 -176.435 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 130.54 -14.14 5.59 Favored Glycine 0 N--CA 1.447 -0.597 0 C-N-CA 120.555 -0.831 . . . . 0.0 113.091 175.281 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.451 ' O ' HD12 ' A' ' 108' ' ' LEU . 16.6 t -58.43 -35.02 52.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 176.908 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -52.07 -44.52 64.36 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 114.997 -1.001 . . . . 0.0 110.402 177.497 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 11.2 m -85.64 -27.65 25.27 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.418 -0.81 . . . . 0.0 111.117 -177.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 29.7 m -64.61 -34.01 77.26 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-O 121.294 0.569 . . . . 0.0 109.938 178.137 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.559 ' O ' ' HG3' ' A' ' 112' ' ' GLN . 1.5 mt -59.88 -30.19 68.83 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.406 -0.816 . . . . 0.0 110.956 175.152 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -71.61 -16.1 62.27 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.998 0.428 . . . . 0.0 110.792 179.537 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 29.5 t -94.28 -36.54 7.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.827 -179.04 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.52 HG12 ' O ' ' A' ' 108' ' ' LEU . 8.6 p -63.69 -29.54 47.54 Favored 'Isoleucine or valine' 0 C--O 1.235 0.299 0 CA-C-O 121.37 0.605 . . . . 0.0 110.317 179.559 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 112' ' ' GLN . . . . . 0.559 ' HG3' ' O ' ' A' ' 108' ' ' LEU . 25.2 mt-30 -67.22 -22.04 65.73 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.475 179.107 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -86.58 -20.08 28.44 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.408 -177.163 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 13.7 m -88.72 -32.69 17.82 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.001 -0.545 . . . . 0.0 112.03 -173.144 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.65 HG11 HD22 ' B' ' 81' ' ' LEU . 11.4 p -120.79 -21.02 4.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 N-CA-C 112.15 0.426 . . . . 0.0 112.15 -173.48 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -54.92 -32.47 55.97 Favored Glycine 0 C--N 1.331 0.262 0 C-N-CA 121.432 -0.413 . . . . 0.0 113.441 -176.389 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -81.03 -4.26 54.57 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 111.962 0.356 . . . . 0.0 111.962 -178.314 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' TYR . . . . . 0.506 ' HB3' HD23 ' A' ' 76' ' ' LEU . 97.6 m-85 -108.5 -30.03 8.48 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.965 0.412 . . . . 0.0 110.09 178.712 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.474 ' O ' ' HB3' ' B' ' 22' ' ' SER . 35.4 m -89.72 -0.84 8.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.99 174.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.426 0 C-N-CA 120.955 -0.641 . . . . 0.0 112.189 177.439 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.374 0 N-CA-C 111.815 -0.514 . . . . 0.0 111.815 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' -4' ' ' SER . . . . . . . . . . . . . 50.4 m -148.63 155.64 41.34 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 110.042 -0.355 . . . . 0.0 110.042 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' -3' ' ' GLY . . . . . . . . . . . . . . . -76.57 67.93 2.52 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 121.006 -0.616 . . . . 0.0 112.303 178.876 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' -2' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -58.2 105.45 0.28 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.916 0.389 . . . . 0.0 110.579 178.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' -1' ' ' SER . . . . . . . . . . . . . 12.8 m -98.5 16.93 20.28 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.315 0.578 . . . . 0.0 110.222 -178.702 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 35.2 m -98.51 172.81 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.838 -179.653 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 12.0 t -157.08 179.8 8.94 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 47.4 m -147.23 93.16 2.21 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.003 0.43 . . . . 0.0 110.361 179.247 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -167.56 129.17 1.85 Allowed Glycine 0 N--CA 1.445 -0.745 0 C-N-CA 120.989 -0.624 . . . . 0.0 111.854 179.608 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . 135.61 39.96 0.16 Allowed Glycine 0 N--CA 1.447 -0.576 0 C-N-CA 120.839 -0.696 . . . . 0.0 111.995 -179.04 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 6' ' ' TYR . . . . . 0.5 ' HA ' ' HB ' ' B' ' 10' ' ' THR . 47.0 p90 -148.98 -170.74 3.7 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.563 0.221 . . . . 0.0 110.557 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . 118.04 -152.01 17.72 Favored Glycine 0 CA--C 1.506 -0.513 0 C-N-CA 120.998 -0.62 . . . . 0.0 111.633 -179.697 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 86.5 t80 -64.45 -34.96 79.41 Favored 'General case' 0 N--CA 1.445 -0.699 0 CA-C-O 121.246 0.546 . . . . 0.0 110.131 175.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -109.82 59.12 0.37 Allowed Glycine 0 N--CA 1.446 -0.662 0 CA-C-N 115.469 -0.787 . . . . 0.0 111.499 -178.508 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 10' ' ' THR . . . . . 0.5 ' HB ' ' HA ' ' B' ' 6' ' ' TYR . 9.0 t -102.39 -21.53 14.25 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.81 0.338 . . . . 0.0 111.226 -178.519 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 46.8 m -141.0 -78.25 0.28 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.079 0.466 . . . . 0.0 110.723 -177.076 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -157.34 158.64 36.38 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.134 -177.634 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -73.6 107.48 5.89 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.242 177.703 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -129.57 -157.81 0.85 Allowed 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.522 -178.137 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 15' ' ' GLY . . . . . 0.439 ' O ' ' HA3' ' B' ' 25' ' ' GLY . . . -152.1 96.58 0.17 Allowed Glycine 0 N--CA 1.445 -0.736 0 C-N-CA 120.527 -0.844 . . . . 0.0 112.817 -177.604 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 16' ' ' ALA . . . . . 0.446 ' H ' HG13 ' B' ' 18' ' ' VAL . . . 177.12 92.02 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.195 -0.668 . . . . 0.0 109.195 176.267 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 54.68 48.58 65.16 Favored Glycine 0 C--N 1.331 0.266 0 C-N-CA 120.555 -0.831 . . . . 0.0 111.774 -172.007 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 18' ' ' VAL . . . . . 0.446 HG13 ' H ' ' B' ' 16' ' ' ALA . 0.5 OUTLIER -84.16 -61.33 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 N-CA-C 112.418 0.525 . . . . 0.0 112.418 -172.423 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -102.51 -175.21 2.76 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 110.293 -0.262 . . . . 0.0 110.293 -177.817 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -69.17 -46.79 66.65 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.863 0.363 . . . . 0.0 110.965 -178.037 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -136.07 30.53 2.72 Favored Glycine 0 N--CA 1.448 -0.56 0 C-N-CA 120.864 -0.684 . . . . 0.0 111.579 -178.87 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 22' ' ' SER . . . . . 0.474 ' HB3' ' O ' ' A' ' 119' ' ' VAL . 4.6 m -144.03 126.47 15.85 Favored 'General case' 0 N--CA 1.445 -0.679 0 CA-C-N 115.328 -0.436 . . . . 0.0 110.378 -179.343 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -146.86 116.85 7.26 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.08 -179.281 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -76.66 -26.72 55.13 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.396 -177.701 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 25' ' ' GLY . . . . . 0.439 ' HA3' ' O ' ' B' ' 15' ' ' GLY . . . -64.65 -27.78 72.39 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.608 -177.459 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 26' ' ' ALA . . . . . 0.501 ' HB1' ' HB2' ' B' ' 78' ' ' GLN . . . -68.86 -19.05 64.23 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.381 0.61 . . . . 0.0 109.938 177.696 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 27' ' ' VAL . . . . . 0.514 HG22 ' CD1' ' B' ' 81' ' ' LEU . 2.5 t -93.65 -40.72 11.99 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 115.179 -0.919 . . . . 0.0 109.986 179.628 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 65.4 m-20 -74.02 -8.0 54.51 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.523 -0.762 . . . . 0.0 111.653 -172.696 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 29' ' ' ARG . . . . . 0.426 HH11 ' HD2' ' B' ' 29' ' ' ARG . 6.5 ptp180 -98.61 4.57 48.07 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.845 0.355 . . . . 0.0 110.688 179.46 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 90.1 mt -79.46 -12.87 59.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.291 -177.202 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 14.0 p -78.14 -2.94 39.96 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.53 179.081 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 26.8 t -77.75 141.45 39.27 Favored 'General case' 0 N--CA 1.448 -0.567 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.669 177.284 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.68 -21.78 61.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.176 -179.52 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -55.97 -45.05 79.05 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.448 177.705 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 35' ' ' ALA . . . . . 0.708 ' O ' HG23 ' B' ' 39' ' ' VAL . . . -63.13 -52.49 62.35 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.811 -0.631 . . . . 0.0 109.769 175.607 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -51.76 -37.52 51.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.623 -177.188 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 39.4 m -69.35 -21.81 63.79 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.218 -0.446 . . . . 0.0 112.0 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 38' ' ' ARG . . . . . 0.465 ' HD2' ' OE1' ' B' ' 82' ' ' GLU . 91.8 mtt180 -93.04 -53.05 4.3 Favored 'General case' 0 CA--C 1.511 -0.532 0 CA-C-O 121.896 0.855 . . . . 0.0 108.719 179.722 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 39' ' ' VAL . . . . . 0.708 HG23 ' O ' ' B' ' 35' ' ' ALA . 16.2 t -60.34 -34.83 59.01 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-N 113.682 -1.599 . . . . 0.0 111.53 -174.683 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 84.6 p -74.37 -10.55 59.69 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-O 121.1 0.476 . . . . 0.0 110.986 179.671 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 45.7 t -95.07 -7.9 38.18 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.707 0.765 . . . . 0.0 109.257 176.626 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 11.6 m120 -100.31 -25.39 14.26 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.366 -0.834 . . . . 0.0 109.784 -176.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 43' ' ' ILE . . . . . 0.562 HG13 ' N ' ' B' ' 44' ' ' ALA . 4.6 pt -58.34 -42.44 83.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.505 -0.77 . . . . 0.0 111.383 -178.398 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 44' ' ' ALA . . . . . 0.562 ' N ' HG13 ' B' ' 43' ' ' ILE . . . -78.62 -16.67 57.1 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.161 0.505 . . . . 0.0 110.895 -176.857 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -83.53 -52.7 6.26 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.824 -179.611 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 53.3 mt -67.15 -32.8 59.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.602 -178.711 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 47' ' ' ALA . . . . . 0.806 ' HB1' HD13 ' A' ' 96' ' ' ILE . . . -61.96 -23.34 66.32 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.264 178.176 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 32.3 m -97.91 -40.64 8.4 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.435 -175.744 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -95.31 -21.6 24.37 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.538 -0.839 . . . . 0.0 113.364 -176.091 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 71.34 -78.4 0.57 Allowed Glycine 0 N--CA 1.45 -0.423 0 N-CA-C 111.513 -0.635 . . . . 0.0 111.513 -178.405 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -117.0 -19.26 9.86 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-O 121.305 0.574 . . . . 0.0 109.754 178.27 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 4.6 m -72.31 -13.98 61.63 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.623 -177.582 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -95.69 -14.98 22.98 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.707 -0.678 . . . . 0.0 111.044 -177.835 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 54' ' ' LEU . . . . . 0.55 HD11 HG11 ' A' ' 88' ' ' VAL . 49.8 mt -53.88 -58.71 12.14 Favored Pre-proline 0 CA--C 1.531 0.244 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.787 -176.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 55' ' ' PRO . . . . . 0.414 ' HD2' ' N ' ' B' ' 54' ' ' LEU . 28.1 Cg_endo -62.79 -23.02 74.36 Favored 'Trans proline' 0 C--N 1.351 0.7 0 C-N-CA 121.934 1.756 . . . . 0.0 112.221 -176.131 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 6.2 m -84.94 -41.57 15.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.192 0.52 . . . . 0.0 110.794 -178.857 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 78.6 t -78.03 -39.26 25.18 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.395 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.263 -174.382 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 58' ' ' ILE . . . . . 0.471 HG12 HD22 ' B' ' 83' ' ' LEU . 64.8 mt -56.24 -41.77 71.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.287 175.283 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 8.1 t -65.44 -38.85 91.09 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.884 -178.112 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 95.2 m-20 -63.03 -55.05 28.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.637 178.67 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 61' ' ' ILE . . . . . 0.443 ' O ' HG23 ' B' ' 65' ' ' VAL . 57.5 mt -65.01 -47.83 86.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.551 -0.749 . . . . 0.0 111.477 -176.417 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 62' ' ' TYR . . . . . 0.419 ' O ' HG23 ' B' ' 66' ' ' VAL . 46.0 t80 -56.48 -47.88 78.29 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.631 -0.259 . . . . 0.0 110.6 -177.173 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 32.1 t -62.56 -31.29 72.06 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.453 179.078 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -72.58 -40.89 52.75 Favored Glycine 0 N--CA 1.453 -0.197 0 C-N-CA 120.784 -0.722 . . . . 0.0 111.683 178.303 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 65' ' ' VAL . . . . . 0.734 HG12 HG11 ' B' ' 70' ' ' VAL . 96.4 t -65.97 -46.8 87.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-O 120.977 0.417 . . . . 0.0 110.984 178.89 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 66' ' ' VAL . . . . . 0.419 HG23 ' O ' ' B' ' 62' ' ' TYR . 79.7 t -65.38 -31.57 54.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 121.056 0.455 . . . . 0.0 110.794 179.788 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -74.09 -5.63 42.74 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.414 177.881 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 20.3 t -89.96 -10.75 43.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.339 179.6 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 88.4 36.73 7.93 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.373 179.69 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.734 HG11 HG12 ' B' ' 65' ' ' VAL . 13.3 p -87.3 163.57 2.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 N-CA-C 110.201 -0.296 . . . . 0.0 110.201 178.067 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 71' ' ' SER . . . . . 0.416 ' N ' HG22 ' B' ' 70' ' ' VAL . 17.4 t -67.57 148.31 51.6 Favored 'General case' 0 CA--C 1.531 0.229 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 175.744 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 48.0 m -53.01 -55.06 26.47 Favored 'General case' 0 CA--C 1.534 0.34 0 N-CA-C 113.01 0.744 . . . . 0.0 113.01 -172.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -78.11 -26.61 48.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.929 0.395 . . . . 0.0 110.553 -174.876 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -72.31 -26.57 62.0 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.991 0.424 . . . . 0.0 110.482 -179.485 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 75' ' ' ALA . . . . . 0.419 ' HB2' HG13 ' B' ' 70' ' ' VAL . . . -58.7 -42.1 87.81 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.722 179.698 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -55.25 -48.04 74.55 Favored 'General case' 0 N--CA 1.463 0.195 0 O-C-N 123.236 0.335 . . . . 0.0 110.23 -179.622 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 77' ' ' ILE . . . . . 0.715 ' O ' ' HG ' ' B' ' 81' ' ' LEU . 42.1 mm -61.65 -56.52 17.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.964 -177.451 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 78' ' ' GLN . . . . . 0.501 ' HB2' ' HB1' ' B' ' 26' ' ' ALA . 30.3 tt0 -57.39 -44.74 84.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.543 -0.298 . . . . 0.0 110.974 -179.819 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -59.78 -40.91 89.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.962 0.41 . . . . 0.0 110.888 179.628 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 80' ' ' LEU . . . . . 0.632 ' O ' HD23 ' B' ' 84' ' ' LEU . 2.4 mm? -67.15 -36.03 80.95 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.228 177.716 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 81' ' ' LEU . . . . . 0.715 ' HG ' ' O ' ' B' ' 77' ' ' ILE . 33.4 mt -76.18 -34.47 59.33 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 120.754 0.311 . . . . 0.0 111.619 -175.332 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 82' ' ' GLU . . . . . 0.465 ' OE1' ' HD2' ' B' ' 38' ' ' ARG . 61.2 mt-10 -67.9 -17.75 64.57 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.335 0.588 . . . . 0.0 110.314 172.5 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 83' ' ' LEU . . . . . 0.471 HD22 HG12 ' B' ' 58' ' ' ILE . 50.9 tp -84.69 -44.63 13.23 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.596 174.104 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 84' ' ' LEU . . . . . 0.632 HD23 ' O ' ' B' ' 80' ' ' LEU . 3.8 mm? -67.51 -5.07 13.45 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.566 -0.743 . . . . 0.0 112.124 -177.051 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 1.4 p -99.62 -23.39 15.07 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 120.79 0.329 . . . . 0.0 110.655 177.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 86' ' ' ALA . . . . . 0.402 ' HB2' HG13 ' B' ' 39' ' ' VAL . . . -77.84 -47.88 17.77 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-O 121.184 0.516 . . . . 0.0 110.534 -178.739 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 87' ' ' LEU . . . . . 0.482 HD12 HG13 ' B' ' 88' ' ' VAL . 1.5 pp -72.21 -20.24 61.6 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.512 -0.767 . . . . 0.0 112.914 -172.244 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 88' ' ' VAL . . . . . 0.643 HG11 HD11 ' A' ' 54' ' ' LEU . 14.1 m -90.95 -20.81 6.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 C-N-CA 120.468 -0.493 . . . . 0.0 110.867 176.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 89' ' ' HIS . . . . . . . . . . . . . 69.7 t60 -71.51 -32.43 68.18 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.065 178.393 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 90' ' ' VAL . . . . . 0.469 HG22 ' O ' ' B' ' 87' ' ' LEU . 10.5 m -65.7 -25.55 36.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.12 -177.179 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 91' ' ' LEU . . . . . 0.649 ' HA ' ' HB3' ' B' ' 94' ' ' ALA . 3.7 mm? -64.01 -24.16 67.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.4 -0.363 . . . . 0.0 110.826 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 47.5 t -57.54 -30.03 64.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.878 178.647 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 93' ' ' SER . . . . . 0.569 ' HB2' HG12 ' A' ' 99' ' ' VAL . 15.2 m -123.19 15.45 9.82 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-O 121.26 0.552 . . . . 0.0 110.656 -179.831 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 94' ' ' ALA . . . . . 0.649 ' HB3' ' HA ' ' B' ' 91' ' ' LEU . . . -111.31 95.05 5.29 Favored 'General case' 0 N--CA 1.447 -0.601 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.582 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 15.3 t -76.39 87.5 3.16 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.562 178.569 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 96' ' ' ILE . . . . . 0.661 HD13 ' HB1' ' A' ' 47' ' ' ALA . 16.6 tt -66.07 140.21 19.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.889 -179.295 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 97' ' ' GLY . . . . . . . . . . . . . . . -93.74 -89.06 1.63 Allowed Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.611 -0.804 . . . . 0.0 112.9 -177.808 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 98' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -137.57 119.58 15.42 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.646 0.26 . . . . 0.0 110.726 -177.836 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 99' ' ' VAL . . . . . 0.461 ' CG1' HD11 ' B' ' 96' ' ' ILE . 5.6 m -109.97 141.36 25.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.822 179.235 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 100' ' ' SER . . . . . . . . . . . . . 43.3 t -108.2 156.7 19.04 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.917 -179.343 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 101' ' ' SER . . . . . 0.408 ' HB3' ' HB2' ' A' ' 40' ' ' SER . 24.7 m -78.0 -10.15 59.46 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.19 0.519 . . . . 0.0 110.447 178.902 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 43.1 t -82.34 102.25 8.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.328 -175.809 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . 132.13 -9.56 5.39 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.612 -0.804 . . . . 0.0 113.132 175.181 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 104' ' ' VAL . . . . . . . . . . . . . 21.9 t -59.78 -32.64 50.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 177.306 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -48.52 -49.23 36.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.012 -0.995 . . . . 0.0 110.282 173.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 15.4 m -72.87 -38.69 66.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.295 -0.866 . . . . 0.0 111.23 -177.822 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 17.3 m -63.46 -29.04 70.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.519 0.676 . . . . 0.0 110.714 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 108' ' ' LEU . . . . . 0.501 HD21 HG21 ' A' ' 39' ' ' VAL . 5.5 mt -69.26 -23.24 63.82 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.329 177.841 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 109' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -74.05 -30.6 62.49 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.759 0.314 . . . . 0.0 111.105 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 110' ' ' VAL . . . . . . . . . . . . . 8.9 p -89.22 -29.42 5.16 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.276 0 N-CA-C 111.868 0.321 . . . . 0.0 111.868 -176.196 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 111' ' ' VAL . . . . . 0.409 HG12 ' O ' ' B' ' 108' ' ' LEU . 12.2 p -63.48 -30.56 50.13 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.269 0 CA-C-O 121.358 0.599 . . . . 0.0 110.186 178.265 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 112' ' ' GLN . . . . . 0.495 ' HG3' ' O ' ' B' ' 108' ' ' LEU . 27.2 mt-30 -65.56 -27.31 68.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.448 -0.797 . . . . 0.0 111.054 179.504 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 113' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -80.73 -24.28 38.86 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.958 -172.397 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 7.0 m -86.79 -35.81 18.92 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.698 -0.683 . . . . 0.0 112.079 -171.835 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 115' ' ' VAL . . . . . . . . . . . . . 13.3 p -122.79 -18.07 4.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 N-CA-C 112.018 0.377 . . . . 0.0 112.018 -172.653 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 116' ' ' GLY . . . . . 0.492 ' HA2' HG21 ' A' ' 27' ' ' VAL . . . -61.66 -25.52 65.58 Favored Glycine 0 C--O 1.228 -0.266 0 C-N-CA 121.089 -0.576 . . . . 0.0 113.073 -175.322 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -88.15 -5.82 58.22 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.847 0.356 . . . . 0.0 111.592 -179.48 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 118' ' ' TYR . . . . . . . . . . . . . 80.8 m-85 -97.54 -30.67 12.74 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.086 0.469 . . . . 0.0 109.774 177.396 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 119' ' ' VAL . . . . . 0.454 ' O ' ' HB3' ' A' ' 22' ' ' SER . 34.0 m -89.75 -0.99 9.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.36 178.181 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.978 0 CA-C-O 118.5 -1.167 . . . . 0.0 111.863 178.823 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.699 0 N-CA-C 111.723 -0.551 . . . . 0.0 111.723 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 48.8 m 60.5 81.14 0.19 Allowed 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 121.502 0.668 . . . . 0.0 111.316 -178.412 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . -150.6 42.54 0.75 Allowed Glycine 0 N--CA 1.443 -0.839 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 177.733 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' -2' ' ' ASN . . . . . . . . . . . . . 63.2 t30 -79.97 98.02 7.0 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.149 0.5 . . . . 0.0 110.542 -176.769 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 74.1 m -149.53 127.1 11.6 Favored 'General case' 0 C--N 1.317 -0.812 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 174.674 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 20.9 m -76.34 124.76 35.18 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-O 121.51 0.671 . . . . 0.0 112.562 -170.009 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 5.1 t -139.67 104.91 5.02 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.246 -0.888 . . . . 0.0 109.288 170.256 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.9 m -89.16 18.82 4.69 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.161 -177.499 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -70.87 129.86 19.15 Favored Glycine 0 N--CA 1.447 -0.597 0 C-N-CA 120.853 -0.689 . . . . 0.0 111.916 178.852 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 89.54 -87.75 1.46 Allowed Glycine 0 N--CA 1.448 -0.528 0 C-N-CA 120.996 -0.621 . . . . 0.0 112.586 179.09 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 50.8 p90 -66.62 -21.34 66.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.737 0.304 . . . . 0.0 111.286 -175.675 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -84.15 -1.94 89.46 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.414 -178.422 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 71.0 m-85 -116.67 -63.63 1.42 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.824 0.345 . . . . 0.0 110.321 177.497 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -151.61 99.6 0.19 Allowed Glycine 0 N--CA 1.442 -0.903 0 C-N-CA 120.659 -0.781 . . . . 0.0 112.16 -178.833 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 43.2 p -71.36 -45.23 63.39 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.23 0.538 . . . . 0.0 110.329 177.556 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 53.8 m -151.52 -173.47 4.52 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.604 179.472 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -77.58 56.14 1.4 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.061 0.457 . . . . 0.0 111.59 -178.602 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -122.21 2.98 9.82 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.671 0.748 . . . . 0.0 109.717 176.29 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.436 ' O ' ' HB3' ' A' ' 24' ' ' ALA . . . -153.97 169.2 24.04 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 114.757 -1.111 . . . . 0.0 108.742 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.514 ' HA3' ' H ' ' A' ' 25' ' ' GLY . . . 163.74 61.99 0.02 OUTLIER Glycine 0 N--CA 1.444 -0.824 0 C-N-CA 119.348 -1.406 . . . . 0.0 113.235 -179.753 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -132.64 95.78 3.68 Favored 'General case' 0 C--N 1.307 -1.248 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 177.887 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 61.28 32.65 81.52 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.004 -171.305 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 4.2 m -73.99 -34.53 39.42 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.253 0 CA-C-O 121.034 0.445 . . . . 0.0 111.127 -178.781 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -142.32 152.18 42.69 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.281 179.379 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -77.36 64.87 2.81 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.815 0.34 . . . . 0.0 110.417 179.051 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.464 ' CA ' ' HA3' ' B' ' 21' ' ' GLY . . . 148.32 -22.16 1.38 Allowed Glycine 0 N--CA 1.449 -0.486 0 C-N-CA 121.054 -0.593 . . . . 0.0 112.592 -178.128 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 17.0 m -124.5 129.69 51.09 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.63 0.252 . . . . 0.0 111.538 -178.582 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.604 ' CE1' ' HA ' ' A' ' 74' ' ' GLU . 0.0 OUTLIER -156.26 121.41 4.73 Favored 'General case' 0 CA--C 1.52 -0.177 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 179.914 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.438 ' H ' ' HA3' ' A' ' 15' ' ' GLY . . . -83.85 -21.13 32.13 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-O 120.934 0.397 . . . . 0.0 111.633 179.702 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.514 ' H ' ' HA3' ' A' ' 15' ' ' GLY . . . -66.85 -29.08 74.14 Favored Glycine 0 CA--C 1.51 -0.247 0 C-N-CA 121.349 -0.453 . . . . 0.0 112.072 -176.773 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.523 ' HB1' ' HB2' ' A' ' 78' ' ' GLN . . . -68.81 -15.28 63.46 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.109 0.48 . . . . 0.0 110.031 178.219 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.462 HG22 HD11 ' A' ' 81' ' ' LEU . 3.5 t -95.15 -44.82 13.3 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.318 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.872 -176.678 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 21.4 m120 -64.83 -25.62 67.98 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-O 120.855 0.359 . . . . 0.0 111.542 -176.223 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 2.0 ptm180 -81.54 3.59 24.42 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.554 -175.177 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.533 HD11 ' HB3' ' A' ' 81' ' ' LEU . 82.9 mt -80.94 -17.74 49.46 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.235 -178.168 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 13.4 p -79.46 5.01 13.88 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.038 0.447 . . . . 0.0 111.068 -177.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 33.7 t -96.26 158.28 15.51 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.057 177.379 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -58.77 -21.15 55.11 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 121.084 0.468 . . . . 0.0 111.376 -179.499 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -48.83 -58.46 4.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 114.996 -1.002 . . . . 0.0 110.992 178.177 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.65 ' O ' HG23 ' A' ' 39' ' ' VAL . . . -68.63 -50.62 49.98 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.384 -0.825 . . . . 0.0 110.724 179.8 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -47.35 -39.94 16.19 Favored 'General case' 0 N--CA 1.465 0.288 0 O-C-N 123.399 0.437 . . . . 0.0 111.96 -176.301 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 60.7 m -71.91 -26.65 62.4 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.981 -178.435 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.413 HH11 ' HD3' ' A' ' 38' ' ' ARG . 20.3 mtm180 -92.03 -40.77 10.9 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.675 0.75 . . . . 0.0 109.463 -177.17 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.65 HG23 ' O ' ' A' ' 35' ' ' ALA . 40.4 t -64.05 -46.25 94.32 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.926 0 CA-C-N 114.425 -1.262 . . . . 0.0 110.491 179.11 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.507 ' HA ' HG23 ' A' ' 43' ' ' ILE . 33.1 t -75.63 -9.89 58.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.301 -178.761 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 32.5 t -82.85 -7.74 59.63 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 177.667 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 47.9 m-80 -124.85 0.13 8.0 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.717 -178.174 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.507 HG23 ' HA ' ' A' ' 40' ' ' SER . 2.3 pt -63.07 -38.38 81.89 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 CA-C-O 120.924 0.393 . . . . 0.0 110.706 177.909 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.414 ' N ' HG13 ' A' ' 43' ' ' ILE . . . -78.3 -7.97 57.85 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.031 -179.737 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -90.23 -55.76 3.48 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.644 -178.809 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.452 HG21 ' HB3' ' A' ' 87' ' ' LEU . 45.8 mt -64.03 -33.6 63.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.604 -178.641 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.629 ' HB1' HD13 ' B' ' 96' ' ' ILE . . . -63.7 -23.68 67.47 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.645 -178.904 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 22.8 t -98.41 -24.27 15.25 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.936 -0.574 . . . . 0.0 111.063 -177.417 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -103.28 -28.2 6.2 Favored Glycine 0 N--CA 1.453 -0.192 0 C-N-CA 120.475 -0.869 . . . . 0.0 113.227 -175.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 75.14 -76.5 1.24 Allowed Glycine 0 N--CA 1.448 -0.566 0 N-CA-C 110.905 -0.878 . . . . 0.0 110.905 -177.649 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -121.79 -22.2 5.86 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-O 121.134 0.492 . . . . 0.0 110.385 178.226 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 4.4 m -70.87 -12.72 61.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.674 -177.405 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -96.0 -13.35 23.85 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.035 -178.645 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.428 ' N ' ' HD2' ' A' ' 55' ' ' PRO . 47.1 mt -55.01 -57.85 17.56 Favored Pre-proline 0 CA--C 1.535 0.387 0 N-CA-C 111.964 0.357 . . . . 0.0 111.964 -177.245 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.428 ' HD2' ' N ' ' A' ' 54' ' ' LEU . 20.2 Cg_endo -62.23 -23.6 75.49 Favored 'Trans proline' 0 C--N 1.353 0.786 0 C-N-CA 122.141 1.894 . . . . 0.0 112.307 -177.592 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 10.0 m -84.02 -43.93 14.65 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.791 -179.409 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 64.5 t -76.54 -39.45 32.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.379 -173.716 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.44 HG12 ' HG ' ' A' ' 83' ' ' LEU . 62.6 mt -62.21 -39.67 84.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.248 176.18 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 21.1 t -68.05 -31.28 70.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.043 0.449 . . . . 0.0 110.193 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 90.0 m-20 -66.8 -55.65 13.96 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.797 176.335 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.454 ' O ' HG23 ' A' ' 65' ' ' VAL . 59.9 mt -68.55 -46.57 79.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.814 -175.15 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.544 ' O ' HG23 ' A' ' 66' ' ' VAL . 51.6 t80 -55.49 -54.5 43.14 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.804 0.335 . . . . 0.0 110.564 -177.027 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 16.5 m -61.23 -32.52 72.3 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.844 -179.585 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -69.41 -36.57 78.06 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.813 -0.708 . . . . 0.0 111.924 179.337 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.671 HG12 HG11 ' A' ' 70' ' ' VAL . 93.9 t -73.99 -42.24 52.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-O 120.66 0.267 . . . . 0.0 110.522 177.752 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.544 HG23 ' O ' ' A' ' 62' ' ' TYR . 87.1 t -60.16 -35.95 64.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.954 0.406 . . . . 0.0 110.969 179.774 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -72.11 -2.28 17.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.902 179.237 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 28.0 t -91.83 -1.46 57.33 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.697 0.284 . . . . 0.0 110.843 179.568 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 83.12 29.97 32.52 Favored Glycine 0 C--N 1.33 0.23 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.111 179.509 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.671 HG11 HG12 ' A' ' 65' ' ' VAL . 10.7 p -84.88 162.27 2.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 N-CA-C 110.08 -0.341 . . . . 0.0 110.08 -179.161 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 19.7 m -68.49 146.75 52.86 Favored 'General case' 0 N--CA 1.447 -0.577 0 N-CA-C 110.129 -0.323 . . . . 0.0 110.129 175.613 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 21.7 p -49.69 -67.36 0.27 Allowed 'General case' 0 CA--C 1.534 0.327 0 N-CA-C 113.337 0.866 . . . . 0.0 113.337 -173.038 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.428 ' ND2' ' HA2' ' A' ' 21' ' ' GLY . 4.3 t30 -73.73 -16.41 61.18 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.21 0.528 . . . . 0.0 110.747 -175.786 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.604 ' HA ' ' CE1' ' A' ' 23' ' ' TYR . 36.5 tt0 -73.41 -31.86 64.09 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 177.674 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.421 ' HB2' ' CG1' ' A' ' 70' ' ' VAL . . . -61.56 -36.33 80.32 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 115.203 -0.908 . . . . 0.0 110.768 176.388 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.58 HD23 ' HB3' ' A' ' 118' ' ' TYR . 2.7 tm? -56.2 -54.09 49.35 Favored 'General case' 0 CA--C 1.517 -0.317 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 177.789 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.754 ' O ' ' HG ' ' A' ' 81' ' ' LEU . 35.2 mm -59.86 -55.08 26.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.953 -177.866 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' GLN . . . . . 0.523 ' HB2' ' HB1' ' A' ' 26' ' ' ALA . 26.7 tt0 -57.08 -46.64 82.36 Favored 'General case' 0 C--O 1.233 0.217 0 C-N-CA 121.226 -0.19 . . . . 0.0 111.441 -179.271 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.96 -41.29 96.06 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.798 0.332 . . . . 0.0 110.615 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.554 ' O ' HD23 ' A' ' 84' ' ' LEU . 2.6 mm? -64.02 -41.67 97.36 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.024 177.528 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.754 ' HG ' ' O ' ' A' ' 77' ' ' ILE . 47.6 mt -61.93 -47.09 86.44 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.819 0.343 . . . . 0.0 110.863 -179.546 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 53.1 mt-10 -65.12 -36.72 85.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.734 178.133 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.44 ' HG ' HG12 ' A' ' 58' ' ' ILE . 3.5 tm? -61.7 -44.51 96.79 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.007 176.14 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.554 HD23 ' O ' ' A' ' 80' ' ' LEU . 3.8 mm? -68.18 -7.15 27.61 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.644 -0.707 . . . . 0.0 112.147 -177.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 35.6 m -97.78 -31.34 12.29 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.02 0.438 . . . . 0.0 111.108 -177.23 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -71.21 -46.48 61.12 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.278 0.561 . . . . 0.0 110.988 -176.643 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.452 ' HB3' HG21 ' A' ' 46' ' ' ILE . 0.9 OUTLIER -77.42 -16.08 59.0 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 113.115 0.783 . . . . 0.0 113.115 -171.796 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.436 ' N ' HD12 ' A' ' 87' ' ' LEU . 16.9 m -93.58 -22.31 5.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 C-N-CA 120.314 -0.554 . . . . 0.0 110.843 176.887 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' HIS . . . . . 0.41 ' CD2' HG22 ' B' ' 104' ' ' VAL . 79.8 t60 -70.84 -34.47 71.7 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-O 120.872 0.367 . . . . 0.0 110.086 177.691 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.414 ' HA ' HG11 ' B' ' 99' ' ' VAL . 25.9 m -64.15 -27.87 43.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.214 -175.638 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.598 ' HA ' ' HB3' ' A' ' 94' ' ' ALA . 4.0 mm? -63.64 -24.83 67.95 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.352 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 26.1 t -59.71 -31.76 69.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.024 0.44 . . . . 0.0 110.56 179.148 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.67 ' HB2' HG12 ' B' ' 99' ' ' VAL . 75.5 m -112.36 -10.4 13.78 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.644 0.735 . . . . 0.0 110.564 -177.595 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.598 ' HB3' ' HA ' ' A' ' 91' ' ' LEU . . . -89.47 90.03 8.11 Favored 'General case' 0 C--N 1.313 -0.992 0 CA-C-N 115.147 -0.933 . . . . 0.0 110.627 -179.8 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 12.9 m -65.83 93.92 0.2 Allowed 'General case' 0 N--CA 1.428 -1.543 0 CA-C-N 115.419 -0.81 . . . . 0.0 110.248 176.258 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.693 HD13 ' HB1' ' B' ' 47' ' ' ALA . 20.6 tt -76.09 148.29 7.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.702 -175.859 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -91.56 -108.21 1.56 Allowed Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.98 -0.629 . . . . 0.0 112.032 178.112 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 10.8 t30 -130.84 111.88 12.51 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.107 0.479 . . . . 0.0 110.259 179.343 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.547 ' CG1' HD11 ' A' ' 96' ' ' ILE . 5.7 m -86.35 138.29 19.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 115.604 -0.725 . . . . 0.0 111.157 -178.433 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 18.4 m -91.61 154.21 19.2 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.224 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 5.9 m -86.46 3.94 41.79 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.279 0.561 . . . . 0.0 110.65 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 40.4 t -106.16 112.29 38.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.645 -175.552 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 129.92 -14.17 5.74 Favored Glycine 0 N--CA 1.449 -0.45 0 CA-C-N 115.855 -0.611 . . . . 0.0 112.495 177.145 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 19.2 t -59.27 -33.41 50.79 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.271 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 176.719 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -51.69 -43.37 62.74 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 114.968 -1.015 . . . . 0.0 110.577 175.414 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 20.0 m -80.82 -35.74 32.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.56 -177.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 24.1 m -61.88 -32.43 72.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.399 0.619 . . . . 0.0 110.517 179.571 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.55 HD21 HG21 ' B' ' 39' ' ' VAL . 3.3 mt -64.31 -26.29 68.42 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.683 -0.689 . . . . 0.0 111.777 176.362 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -73.43 -32.17 64.25 Favored 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 121.006 -0.278 . . . . 0.0 111.046 -177.322 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 8.7 p -87.28 -28.69 5.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 N-CA-C 111.781 0.289 . . . . 0.0 111.781 -175.883 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.531 HG12 ' O ' ' A' ' 108' ' ' LEU . 7.9 p -63.14 -30.02 48.66 Favored 'Isoleucine or valine' 0 C--O 1.234 0.247 0 CA-C-O 121.532 0.682 . . . . 0.0 109.992 177.903 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 112' ' ' GLN . . . . . 0.521 ' HG2' HG12 ' B' ' 27' ' ' VAL . 26.5 mt-30 -64.38 -32.43 74.04 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.125 -0.943 . . . . 0.0 111.48 -178.223 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -70.95 -34.42 71.44 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.969 -177.109 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 6.0 m -78.55 -34.93 46.7 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.541 -0.754 . . . . 0.0 112.239 -171.521 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.654 HG11 HD22 ' B' ' 81' ' ' LEU . 7.6 p -113.19 -25.15 3.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 N-CA-C 111.844 0.312 . . . . 0.0 111.844 -173.836 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -59.21 -26.07 60.92 Favored Glycine 0 C--N 1.33 0.221 0 C-N-CA 121.21 -0.519 . . . . 0.0 112.776 -176.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 1.6 pt20 -82.75 2.22 34.94 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 111.699 0.259 . . . . 0.0 111.699 -178.295 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' TYR . . . . . 0.58 ' HB3' HD23 ' A' ' 76' ' ' LEU . 74.7 m-85 -114.81 -34.51 5.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.735 0.302 . . . . 0.0 110.655 177.498 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.406 HG21 HG21 ' B' ' 27' ' ' VAL . 33.8 m -83.2 0.11 4.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.429 178.565 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.517 0 C-N-CA 120.961 -0.638 . . . . 0.0 111.734 177.513 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.362 0 N-CA-C 112.123 -0.391 . . . . 0.0 112.123 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' -4' ' ' SER . . . . . . . . . . . . . 24.5 t -110.33 102.41 11.07 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 177.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' -3' ' ' GLY . . . . . . . . . . . . . . . 123.29 76.7 0.35 Allowed Glycine 0 N--CA 1.444 -0.812 0 C-N-CA 120.896 -0.668 . . . . 0.0 111.856 -178.143 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' -2' ' ' ASN . . . . . . . . . . . . . 14.3 t30 -57.57 106.49 0.35 Allowed 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 177.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' -1' ' ' SER . . . . . . . . . . . . . 14.2 m -83.81 96.1 8.66 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.522 -0.763 . . . . 0.0 111.978 -168.255 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 48.0 t -89.36 109.1 19.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.621 174.746 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 10.2 t -157.54 146.59 19.76 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 110.143 -0.318 . . . . 0.0 110.143 178.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 23.2 t -78.45 89.86 4.44 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.032 0.444 . . . . 0.0 110.457 -178.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -97.3 71.32 0.72 Allowed Glycine 0 N--CA 1.447 -0.598 0 C-N-CA 120.816 -0.707 . . . . 0.0 111.797 177.467 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . 82.2 -54.73 4.9 Favored Glycine 0 CA--C 1.52 0.364 0 C-N-CA 120.932 -0.652 . . . . 0.0 112.972 178.195 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 6' ' ' TYR . . . . . . . . . . . . . 46.7 p90 -60.24 -21.05 61.38 Favored 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 122.699 0.399 . . . . 0.0 111.739 -177.484 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -77.83 -13.7 83.15 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.413 -179.395 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 81.6 m-85 -111.49 -61.1 1.75 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.121 0.486 . . . . 0.0 110.17 179.289 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -143.53 106.59 0.43 Allowed Glycine 0 N--CA 1.444 -0.805 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.352 -178.242 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 22.8 p -76.38 -41.95 46.18 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.013 0.435 . . . . 0.0 110.954 -179.042 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 51.1 m -156.43 -179.59 8.31 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.906 178.852 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -72.36 3.07 5.11 Favored 'General case' 0 N--CA 1.465 0.291 0 N-CA-C 112.076 0.398 . . . . 0.0 112.076 -176.827 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -87.11 0.84 54.63 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.895 0.378 . . . . 0.0 110.918 179.663 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -127.93 153.0 47.18 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.091 179.541 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 15' ' ' GLY . . . . . 0.578 ' O ' ' HA3' ' B' ' 25' ' ' GLY . . . 173.57 103.8 0.17 Allowed Glycine 0 N--CA 1.445 -0.762 0 C-N-CA 120.202 -0.999 . . . . 0.0 113.263 -178.403 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 16' ' ' ALA . . . . . 0.548 ' H ' HG13 ' B' ' 18' ' ' VAL . . . -172.65 98.48 0.14 Allowed 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 173.888 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 59.71 28.68 65.86 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.689 -0.767 . . . . 0.0 111.893 -172.2 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 18' ' ' VAL . . . . . 0.548 HG13 ' H ' ' B' ' 16' ' ' ALA . 2.4 m -75.14 -51.82 20.42 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.181 0 N-CA-C 112.131 0.419 . . . . 0.0 112.131 -174.54 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -134.11 136.01 43.6 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 -178.795 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.53 -18.42 7.34 Favored 'General case' 0 N--CA 1.468 0.433 0 N-CA-C 113.223 0.823 . . . . 0.0 113.223 -172.519 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 21' ' ' GLY . . . . . 0.464 ' HA3' ' CA ' ' A' ' 21' ' ' GLY . . . -131.02 19.91 4.85 Favored Glycine 0 N--CA 1.446 -0.636 0 C-N-CA 120.381 -0.914 . . . . 0.0 112.495 179.083 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 3.5 m -160.07 122.62 3.37 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.997 0.427 . . . . 0.0 111.831 -177.203 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -148.14 121.53 9.05 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 175.739 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -76.94 -31.25 56.49 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 121.16 0.505 . . . . 0.0 111.235 -178.816 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 25' ' ' GLY . . . . . 0.578 ' HA3' ' O ' ' B' ' 15' ' ' GLY . . . -66.23 -23.45 71.55 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.984 -0.627 . . . . 0.0 112.956 -177.523 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 26' ' ' ALA . . . . . 0.463 ' HB1' ' HB2' ' B' ' 78' ' ' GLN . . . -72.26 -12.56 61.21 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.448 0.642 . . . . 0.0 109.649 176.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 27' ' ' VAL . . . . . 0.536 HG22 ' CD1' ' B' ' 81' ' ' LEU . 3.5 t -98.55 -44.47 12.13 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.559 0 CA-C-N 114.894 -1.048 . . . . 0.0 110.084 178.322 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 30.6 m120 -62.85 -27.27 69.22 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 120.775 0.321 . . . . 0.0 111.601 -177.485 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 6.3 ptp180 -78.72 0.68 25.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.361 -177.687 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 30' ' ' LEU . . . . . 0.415 ' HG ' ' O ' ' B' ' 27' ' ' VAL . 76.1 mt -79.76 -18.39 51.18 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.968 0.413 . . . . 0.0 110.936 -179.263 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 49.0 m -75.65 -2.09 27.76 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.614 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 72.8 m -87.06 149.51 24.67 Favored 'General case' 0 N--CA 1.44 -0.962 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.344 178.244 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.84 -16.03 60.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.954 0.407 . . . . 0.0 111.547 -177.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -57.66 -48.91 78.18 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.399 177.719 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 35' ' ' ALA . . . . . 0.668 ' O ' HG23 ' B' ' 39' ' ' VAL . . . -59.31 -53.08 62.34 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.667 -0.697 . . . . 0.0 109.972 177.085 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -51.11 -35.29 34.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.837 -177.646 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 42.2 t -70.49 -21.93 62.71 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.411 -177.735 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 38' ' ' ARG . . . . . 0.443 ' HD2' ' OE1' ' B' ' 82' ' ' GLU . 56.4 mtt180 -99.2 -47.64 5.12 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.947 0.88 . . . . 0.0 109.17 -178.724 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 39' ' ' VAL . . . . . 0.668 HG23 ' O ' ' B' ' 35' ' ' ALA . 34.3 t -59.85 -43.1 91.23 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-N 114.062 -1.426 . . . . 0.0 111.047 -178.268 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 40' ' ' SER . . . . . 0.456 ' HA ' HG23 ' B' ' 43' ' ' ILE . 35.9 t -78.05 -6.33 54.26 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.854 0.359 . . . . 0.0 111.411 -178.818 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 47.9 t -84.39 -13.78 51.27 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.505 0.669 . . . . 0.0 109.47 177.096 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 45.3 m-80 -121.65 1.58 10.03 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.625 -175.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 43' ' ' ILE . . . . . 0.456 HG23 ' HA ' ' B' ' 40' ' ' SER . 2.0 pt -61.92 -37.83 79.17 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.18 0 CA-C-O 120.957 0.408 . . . . 0.0 110.478 177.264 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -76.62 -15.89 59.71 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.033 -179.022 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -82.97 -53.28 5.95 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.999 -176.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 46' ' ' ILE . . . . . 0.484 HG21 ' HB3' ' B' ' 87' ' ' LEU . 48.8 mt -64.31 -32.33 57.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.121 -179.28 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 47' ' ' ALA . . . . . 0.693 ' HB1' HD13 ' A' ' 96' ' ' ILE . . . -63.56 -23.79 67.54 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.078 177.268 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 24.9 t -92.77 -50.53 5.53 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.134 -177.697 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -88.18 -18.23 56.04 Favored Glycine 0 CA--C 1.52 0.398 0 C-N-CA 120.773 -0.727 . . . . 0.0 113.626 -174.82 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 73.25 -80.24 0.74 Allowed Glycine 0 N--CA 1.451 -0.348 0 N-CA-C 111.775 -0.53 . . . . 0.0 111.775 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -116.92 -24.62 7.55 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-O 121.055 0.455 . . . . 0.0 110.195 179.565 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 5.3 t -74.6 -9.56 58.69 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.013 -0.54 . . . . 0.0 109.982 -177.829 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -91.36 -14.27 31.01 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.628 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 54' ' ' LEU . . . . . 0.423 ' N ' ' HD2' ' B' ' 55' ' ' PRO . 49.2 mt -55.59 -57.79 19.13 Favored Pre-proline 0 CA--C 1.534 0.353 0 CA-C-N 116.632 -0.258 . . . . 0.0 111.53 -179.291 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 55' ' ' PRO . . . . . 0.423 ' HD2' ' N ' ' B' ' 54' ' ' LEU . 16.8 Cg_endo -60.44 -28.25 86.38 Favored 'Trans proline' 0 C--N 1.35 0.62 0 C-N-CA 122.18 1.92 . . . . 0.0 112.288 179.758 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 8.0 m -76.4 -42.09 45.58 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.054 0.454 . . . . 0.0 110.485 179.096 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 53.5 t -85.68 -42.69 16.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.694 -171.2 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 58' ' ' ILE . . . . . 0.552 HG12 ' HG ' ' B' ' 83' ' ' LEU . 50.6 mt -55.85 -44.03 76.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 121.083 0.468 . . . . 0.0 110.308 178.538 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 75.1 m -69.59 -28.72 66.2 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.886 -178.825 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -67.57 -51.38 51.26 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-O 121.241 0.543 . . . . 0.0 110.699 176.503 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 54.8 mt -70.13 -42.29 79.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.918 -177.83 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 62' ' ' TYR . . . . . 0.455 ' O ' HG23 ' B' ' 66' ' ' VAL . 62.3 t80 -55.65 -52.23 64.52 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.604 -178.595 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 22.3 m -61.52 -33.03 73.12 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.773 179.678 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -70.24 -38.56 71.87 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.789 -0.719 . . . . 0.0 111.781 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 65' ' ' VAL . . . . . 0.672 HG12 HG11 ' B' ' 70' ' ' VAL . 92.9 t -71.96 -48.01 52.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-O 120.802 0.334 . . . . 0.0 111.181 178.45 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 66' ' ' VAL . . . . . 0.455 HG23 ' O ' ' B' ' 62' ' ' TYR . 96.2 t -58.76 -33.91 50.51 Favored 'Isoleucine or valine' 0 C--O 1.235 0.309 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.177 -178.188 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.94 -12.79 53.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.449 . . . . 0.0 112.031 179.51 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 34.7 t -80.02 -12.24 59.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.038 0.447 . . . . 0.0 110.769 179.302 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 101.72 2.98 52.8 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.51 -0.852 . . . . 0.0 112.27 178.478 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.672 HG11 HG12 ' B' ' 65' ' ' VAL . 10.3 p -66.69 156.79 6.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 N-CA-C 110.376 -0.231 . . . . 0.0 110.376 179.11 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 10.4 t -71.77 155.16 40.76 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 110.209 -0.293 . . . . 0.0 110.209 179.129 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 3.0 p -56.14 -58.76 6.57 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 113.261 0.837 . . . . 0.0 113.261 -172.816 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -73.14 -25.92 61.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 122.229 -0.294 . . . . 0.0 110.652 -174.148 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -71.52 -35.66 70.79 Favored 'General case' 0 C--N 1.332 -0.161 0 N-CA-C 109.546 -0.538 . . . . 0.0 109.546 174.254 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 75' ' ' ALA . . . . . 0.581 ' HB2' HG13 ' B' ' 70' ' ' VAL . . . -62.7 -38.57 90.94 Favored 'General case' 0 C--O 1.223 -0.296 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.574 176.303 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 76' ' ' LEU . . . . . 0.482 HD23 ' HB3' ' B' ' 118' ' ' TYR . 2.8 tm? -52.65 -52.03 57.46 Favored 'General case' 0 CA--C 1.518 -0.261 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 177.15 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 77' ' ' ILE . . . . . 0.642 ' O ' ' HG ' ' B' ' 81' ' ' LEU . 42.1 mm -62.1 -54.97 27.36 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.906 -178.125 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 78' ' ' GLN . . . . . 0.463 ' HB2' ' HB1' ' B' ' 26' ' ' ALA . 24.1 tt0 -57.5 -47.84 80.84 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.323 -179.059 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.3 -40.64 97.92 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.818 -178.755 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 80' ' ' LEU . . . . . 0.665 ' O ' ' HG ' ' B' ' 84' ' ' LEU . 2.8 mm? -62.06 -43.41 98.9 Favored 'General case' 0 C--O 1.221 -0.414 0 CA-C-N 116.594 -0.275 . . . . 0.0 110.473 176.491 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 81' ' ' LEU . . . . . 0.654 HD22 HG11 ' A' ' 115' ' ' VAL . 15.7 mt -68.87 -40.6 79.18 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.597 0.237 . . . . 0.0 111.369 -177.486 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 82' ' ' GLU . . . . . 0.443 ' OE1' ' HD2' ' B' ' 38' ' ' ARG . 50.2 mt-10 -60.85 -37.4 81.97 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.243 0.544 . . . . 0.0 110.019 172.32 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 83' ' ' LEU . . . . . 0.552 ' HG ' HG12 ' B' ' 58' ' ' ILE . 3.4 tm? -63.21 -44.17 96.09 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.421 176.172 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 84' ' ' LEU . . . . . 0.665 ' HG ' ' O ' ' B' ' 80' ' ' LEU . 13.0 mt -64.38 -16.76 62.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.004 -177.106 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 28.1 m -89.87 -28.16 19.43 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 121.035 0.445 . . . . 0.0 110.82 -174.54 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 86' ' ' ALA . . . . . 0.44 ' O ' HG13 ' B' ' 90' ' ' VAL . . . -71.0 -42.74 69.22 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.23 0.538 . . . . 0.0 110.76 -178.102 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 87' ' ' LEU . . . . . 0.52 HD12 ' N ' ' B' ' 88' ' ' VAL . 1.6 pp -82.18 -22.74 35.87 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.604 -0.725 . . . . 0.0 112.829 -171.749 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 88' ' ' VAL . . . . . 0.52 ' N ' HD12 ' B' ' 87' ' ' LEU . 17.2 m -86.37 -21.88 7.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 C-N-CA 119.97 -0.692 . . . . 0.0 110.571 177.118 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 89' ' ' HIS . . . . . . . . . . . . . 72.3 t60 -71.41 -37.42 71.52 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.196 178.294 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 90' ' ' VAL . . . . . 0.489 HG22 ' O ' ' B' ' 87' ' ' LEU . 23.7 m -64.4 -27.24 42.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.464 -175.366 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 91' ' ' LEU . . . . . 0.617 ' HA ' ' HB3' ' B' ' 94' ' ' ALA . 3.3 mm? -64.41 -26.18 68.34 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.316 -179.618 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 36.9 t -62.32 -27.62 69.16 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.605 -179.311 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 93' ' ' SER . . . . . 0.515 ' HB2' HG12 ' A' ' 99' ' ' VAL . 19.7 m -117.5 12.61 14.2 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-O 121.241 0.543 . . . . 0.0 110.505 178.632 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 94' ' ' ALA . . . . . 0.617 ' HB3' ' HA ' ' B' ' 91' ' ' LEU . . . -108.76 98.36 7.87 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.427 179.028 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 5.1 t -76.81 87.39 3.41 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 96' ' ' ILE . . . . . 0.72 HD11 HG13 ' B' ' 99' ' ' VAL . 17.0 tt -62.59 148.38 10.86 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.314 0 CA-C-N 115.52 -0.763 . . . . 0.0 111.667 -178.421 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 97' ' ' GLY . . . . . . . . . . . . . . . -93.88 -85.98 1.62 Allowed Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.867 -0.682 . . . . 0.0 111.731 178.341 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 98' ' ' ASN . . . . . . . . . . . . . 11.2 t30 -150.88 123.54 8.54 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.874 0.369 . . . . 0.0 110.767 177.011 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 99' ' ' VAL . . . . . 0.72 HG13 HD11 ' B' ' 96' ' ' ILE . 4.8 m -98.36 152.95 4.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.901 179.807 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 100' ' ' SER . . . . . . . . . . . . . 49.5 m -119.19 163.07 17.62 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.453 178.849 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 6.9 p -79.91 -11.1 59.83 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.363 0.601 . . . . 0.0 111.448 -178.445 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 48.9 t -83.83 107.1 14.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.397 -174.191 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . 122.67 -10.08 9.13 Favored Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.716 -0.754 . . . . 0.0 113.296 173.523 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 104' ' ' VAL . . . . . 0.457 ' O ' HD12 ' B' ' 108' ' ' LEU . 26.6 t -58.31 -36.62 58.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 175.871 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -55.41 -43.92 75.71 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.14 -0.936 . . . . 0.0 110.379 177.136 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 14.6 m -69.65 -37.22 76.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.443 -0.799 . . . . 0.0 111.083 -178.818 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 48.8 m -62.84 -35.03 78.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.074 0.464 . . . . 0.0 110.636 179.78 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 108' ' ' LEU . . . . . 0.51 HD21 HG21 ' A' ' 39' ' ' VAL . 1.1 mt -61.55 -24.76 66.86 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.826 -0.624 . . . . 0.0 111.599 178.177 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 109' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -66.78 -28.18 68.19 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.104 0.478 . . . . 0.0 110.461 178.661 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 110' ' ' VAL . . . . . . . . . . . . . 20.7 t -87.81 -35.21 7.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.246 -175.719 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 111' ' ' VAL . . . . . 0.506 HG12 ' O ' ' B' ' 108' ' ' LEU . 7.9 p -63.34 -29.75 48.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 121.26 0.552 . . . . 0.0 110.179 -179.109 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 112' ' ' GLN . . . . . 0.467 ' HG3' ' O ' ' B' ' 108' ' ' LEU . 25.3 mt-30 -70.45 -23.41 62.7 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 121.344 0.592 . . . . 0.0 111.001 -179.181 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 113' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -84.17 -34.12 24.07 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.45 -0.795 . . . . 0.0 110.724 -173.542 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 4.8 p -83.96 -42.45 16.25 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.416 -0.811 . . . . 0.0 112.443 -172.045 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 115' ' ' VAL . . . . . 0.506 HG12 ' O ' ' B' ' 111' ' ' VAL . 12.2 p -105.38 -20.16 6.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 121.005 0.431 . . . . 0.0 110.963 -175.403 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 116' ' ' GLY . . . . . . . . . . . . . . . -62.24 -23.61 64.45 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 121.083 -0.58 . . . . 0.0 112.598 -179.416 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -88.09 5.9 38.9 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.555 0.217 . . . . 0.0 111.467 -179.291 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 118' ' ' TYR . . . . . 0.482 ' HB3' HD23 ' B' ' 76' ' ' LEU . 73.2 m-85 -116.9 -32.61 5.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.846 0.355 . . . . 0.0 110.843 177.308 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 119' ' ' VAL . . . . . 0.419 HG21 HG21 ' A' ' 27' ' ' VAL . 27.4 m -80.2 -1.86 5.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.994 0.426 . . . . 0.0 111.18 178.679 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.184 0 CA-C-O 118.184 -1.342 . . . . 0.0 110.976 177.163 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.65 0 N-CA-C 111.759 -0.536 . . . . 0.0 111.759 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 28.6 t -138.05 -58.87 0.65 Allowed 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.789 0.328 . . . . 0.0 110.431 -179.766 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . -166.05 118.82 0.82 Allowed Glycine 0 N--CA 1.447 -0.598 0 C-N-CA 120.824 -0.703 . . . . 0.0 111.867 179.677 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' -2' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -161.11 116.89 2.17 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 179.218 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 16.1 p -107.21 74.18 0.96 Allowed 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.297 0.57 . . . . 0.0 111.651 -176.159 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 60.4 t -121.11 121.37 64.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 174.24 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 23.5 p -110.84 -179.11 3.65 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.882 -174.873 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.4 t 76.38 161.63 0.23 Allowed 'General case' 0 N--CA 1.466 0.329 0 O-C-N 124.136 0.897 . . . . 0.0 111.459 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 148.15 -174.58 27.8 Favored Glycine 0 N--CA 1.445 -0.716 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.678 -177.633 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 170.11 -111.48 0.42 Allowed Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.993 -0.622 . . . . 0.0 111.642 179.813 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 45.0 p90 -60.4 141.4 56.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.917 0.389 . . . . 0.0 109.984 176.575 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.429 ' H ' ' HB ' ' A' ' 10' ' ' THR . . . 158.04 -88.0 0.12 Allowed Glycine 0 N--CA 1.447 -0.584 0 N-CA-C 110.401 -1.08 . . . . 0.0 110.401 -178.747 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.415 ' HB2' ' O ' ' A' ' 18' ' ' VAL . 74.5 m-85 -83.63 -37.2 23.15 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 108.488 -0.93 . . . . 0.0 108.488 169.424 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.407 ' N ' ' HB ' ' A' ' 18' ' ' VAL . . . -103.97 78.06 0.29 Allowed Glycine 0 N--CA 1.447 -0.621 0 CA-C-N 114.895 -1.048 . . . . 0.0 111.554 177.108 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.429 ' HB ' ' H ' ' A' ' 7' ' ' GLY . 9.1 t -141.5 19.62 2.21 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.496 0.665 . . . . 0.0 109.476 178.39 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.459 ' C ' ' H ' ' A' ' 13' ' ' ALA . 19.2 m -125.25 -14.78 6.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.609 -0.723 . . . . 0.0 112.353 -168.521 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . 68.55 -33.55 0.24 Allowed 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 123.605 0.762 . . . . 0.0 112.873 -173.821 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.459 ' H ' ' C ' ' A' ' 11' ' ' SER . . . -95.57 24.3 5.36 Favored 'General case' 0 C--N 1.314 -0.947 0 CA-C-O 121.388 0.613 . . . . 0.0 110.506 178.4 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -141.57 111.93 6.95 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.315 -0.857 . . . . 0.0 109.718 179.325 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.555 ' HA3' ' H ' ' A' ' 25' ' ' GLY . . . -155.64 96.9 0.16 Allowed Glycine 0 N--CA 1.443 -0.878 0 C-N-CA 120.088 -1.053 . . . . 0.0 113.701 -176.912 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.471 ' H ' HG13 ' A' ' 18' ' ' VAL . . . -168.01 86.64 0.22 Allowed 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 108.639 -0.874 . . . . 0.0 108.639 173.597 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 58.14 41.64 94.8 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.653 -0.784 . . . . 0.0 111.53 -170.301 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.471 HG13 ' H ' ' A' ' 16' ' ' ALA . 1.1 m -84.3 -54.92 7.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 N-CA-C 112.057 0.391 . . . . 0.0 112.057 -174.351 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.502 ' HB3' ' HB2' ' A' ' 22' ' ' SER . . . -111.19 -179.0 3.6 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 110.127 -0.323 . . . . 0.0 110.127 -178.511 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -68.68 -44.49 73.91 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.169 -177.551 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.43 ' CA ' ' HA3' ' B' ' 21' ' ' GLY . . . -135.19 20.58 3.76 Favored Glycine 0 CA--C 1.508 -0.402 0 C-N-CA 120.655 -0.783 . . . . 0.0 111.952 179.096 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.502 ' HB2' ' HB3' ' A' ' 19' ' ' ALA . 16.3 m -130.38 124.17 31.57 Favored 'General case' 0 N--CA 1.445 -0.709 0 CA-C-O 120.953 0.406 . . . . 0.0 110.971 -178.77 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.6 ' CE1' ' HA ' ' A' ' 74' ' ' GLU . 0.1 OUTLIER -148.8 117.84 6.76 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.358 177.902 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -79.7 -23.58 42.29 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 116.134 -0.484 . . . . 0.0 112.07 -175.242 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.555 ' H ' ' HA3' ' A' ' 15' ' ' GLY . . . -64.2 -30.62 78.3 Favored Glycine 0 CA--C 1.509 -0.343 0 C-N-CA 120.895 -0.669 . . . . 0.0 111.936 -179.288 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.503 ' HB1' ' HB2' ' A' ' 78' ' ' GLN . . . -68.68 -14.55 63.09 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.097 0.475 . . . . 0.0 110.237 177.276 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.472 HG22 ' CD1' ' A' ' 81' ' ' LEU . 3.4 t -95.34 -44.29 13.1 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.438 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.402 -179.37 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 24.3 m120 -64.22 -32.11 73.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.093 0.473 . . . . 0.0 110.174 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 78.3 ttt180 -65.5 -12.15 50.0 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.512 -178.89 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.752 HD11 ' HB3' ' A' ' 81' ' ' LEU . 74.5 mt -68.66 -27.83 66.33 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.021 0.439 . . . . 0.0 110.968 -179.729 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 76.0 p -81.53 12.02 4.12 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.776 -179.406 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 34.6 t -94.82 162.67 13.66 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.013 -0.54 . . . . 0.0 109.902 176.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.86 -19.75 65.99 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.96 179.803 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -55.73 -62.72 1.5 Allowed 'General case' 0 C--O 1.233 0.236 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.663 179.182 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.469 ' O ' HG23 ' A' ' 39' ' ' VAL . . . -60.42 -49.84 75.97 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.065 -179.069 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -51.61 -36.69 46.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.539 -0.3 . . . . 0.0 111.514 -177.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 47.9 m -75.39 -22.8 57.17 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.616 0.598 . . . . 0.0 112.616 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 53.2 mtm-85 -95.31 -49.5 5.44 Favored 'General case' 0 CA--C 1.512 -0.483 0 CA-C-O 121.419 0.628 . . . . 0.0 109.768 -178.41 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.528 HG21 HD21 ' B' ' 108' ' ' LEU . 60.3 t -59.12 -32.73 48.6 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.837 0 CA-C-N 114.511 -1.222 . . . . 0.0 111.394 -177.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.493 ' HB2' ' HB3' ' B' ' 101' ' ' SER . 33.4 p -72.62 -12.8 61.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.962 0.411 . . . . 0.0 111.612 -179.422 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 35.3 t -90.91 -18.55 24.57 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.719 0.771 . . . . 0.0 109.124 176.613 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.478 ' OD1' HD11 ' A' ' 61' ' ' ILE . 9.4 m120 -90.77 -27.91 18.6 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 114.878 -1.056 . . . . 0.0 110.141 -174.155 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.538 HG13 ' N ' ' A' ' 44' ' ' ALA . 5.3 pt -56.05 -41.32 68.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.377 -0.828 . . . . 0.0 111.654 -178.456 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.538 ' N ' HG13 ' A' ' 43' ' ' ILE . . . -79.84 -11.21 59.83 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.0 0.428 . . . . 0.0 110.861 -176.691 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -90.33 -51.23 5.54 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.423 -179.193 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.441 HG21 ' HB3' ' A' ' 87' ' ' LEU . 55.3 mt -67.66 -33.41 61.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.597 -178.932 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.696 ' HB1' HD13 ' B' ' 96' ' ' ILE . . . -62.23 -24.33 67.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.138 0.494 . . . . 0.0 110.763 177.404 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 43.6 t -92.37 -50.36 5.68 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.114 -178.466 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -83.41 -24.32 51.35 Favored Glycine 0 CA--C 1.519 0.284 0 C-N-CA 120.814 -0.708 . . . . 0.0 113.441 -174.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 73.13 -73.68 1.05 Allowed Glycine 0 C--O 1.226 -0.368 0 N-CA-C 111.632 -0.587 . . . . 0.0 111.632 -178.523 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -120.99 -25.94 5.26 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.03 0.443 . . . . 0.0 110.52 178.83 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 32.9 t -71.58 -14.69 62.16 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.728 -176.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -86.69 -17.7 33.08 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.636 -178.066 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.516 HD11 HG11 ' B' ' 88' ' ' VAL . 41.0 mt -55.63 -58.7 14.25 Favored Pre-proline 0 CA--C 1.534 0.348 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.977 -176.517 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.421 ' HD2' ' N ' ' A' ' 54' ' ' LEU . 20.3 Cg_endo -61.26 -20.84 69.8 Favored 'Trans proline' 0 C--N 1.356 0.927 0 C-N-CA 122.134 1.889 . . . . 0.0 112.52 -176.454 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 15.0 m -89.23 -44.54 10.2 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.046 0.451 . . . . 0.0 110.803 -179.363 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.431 HG11 ' HB3' ' A' ' 42' ' ' ASN . 70.8 t -75.65 -39.18 39.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.388 -174.011 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.539 HG12 ' HG ' ' A' ' 83' ' ' LEU . 64.5 mt -58.64 -42.36 84.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.085 176.587 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 35.0 t -65.07 -42.02 94.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.43 . . . . 0.0 109.959 178.757 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 78.6 m-20 -56.23 -51.03 69.58 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.202 179.08 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.478 HD11 ' OD1' ' A' ' 42' ' ' ASN . 36.7 mt -72.16 -45.69 61.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.067 -178.578 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.456 ' O ' HG23 ' A' ' 66' ' ' VAL . 60.3 t80 -55.91 -54.03 49.62 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-O 120.471 0.177 . . . . 0.0 110.935 -177.004 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 20.2 t -59.66 -34.12 72.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.02 0.438 . . . . 0.0 109.929 -179.706 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -67.65 -44.53 81.47 Favored Glycine 0 C--N 1.332 0.325 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.898 179.677 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.689 HG12 HG11 ' A' ' 70' ' ' VAL . 58.5 t -68.88 -41.07 81.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 120.784 0.326 . . . . 0.0 110.887 179.615 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.456 HG23 ' O ' ' A' ' 62' ' ' TYR . 91.8 t -62.72 -38.33 81.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.691 0.282 . . . . 0.0 110.762 179.286 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.35 -13.61 62.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.296 178.73 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.409 ' HB3' ' O ' ' A' ' 65' ' ' VAL . 32.8 t -76.76 -18.23 58.58 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.611 179.049 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 102.26 25.72 7.71 Favored Glycine 0 C--N 1.333 0.391 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.919 178.182 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.689 HG11 HG12 ' A' ' 65' ' ' VAL . 12.7 p -89.68 163.4 2.36 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 N-CA-C 110.225 -0.287 . . . . 0.0 110.225 -179.389 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 37.9 t -68.43 147.98 51.29 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.735 -0.468 . . . . 0.0 109.735 174.319 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 5.1 m -57.25 -49.58 75.59 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.128 0.418 . . . . 0.0 112.128 -174.531 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -74.22 -31.41 62.61 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.802 0.334 . . . . 0.0 110.487 -175.02 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.6 ' HA ' ' CE1' ' A' ' 23' ' ' TYR . 37.7 tt0 -71.55 -31.36 66.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.1 0.476 . . . . 0.0 109.72 177.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.51 ' HB2' HG13 ' A' ' 70' ' ' VAL . . . -61.67 -37.93 85.88 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.635 -0.711 . . . . 0.0 111.133 177.424 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.466 HD23 ' HB3' ' A' ' 118' ' ' TYR . 3.0 tm? -55.53 -45.26 77.19 Favored 'General case' 0 CA--C 1.52 -0.21 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 179.216 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.664 ' O ' ' HG ' ' A' ' 81' ' ' LEU . 42.1 mm -65.33 -56.21 16.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.815 -178.465 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' GLN . . . . . 0.503 ' HB2' ' HB1' ' A' ' 26' ' ' ALA . 17.8 tt0 -57.91 -46.74 84.52 Favored 'General case' 0 N--CA 1.463 0.212 0 C-N-CA 121.157 -0.217 . . . . 0.0 111.304 -179.762 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.81 -37.51 82.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.959 0.409 . . . . 0.0 110.794 -178.767 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.58 ' O ' HD23 ' A' ' 84' ' ' LEU . 6.0 mt -73.67 -41.34 62.81 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.951 178.024 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.752 ' HB3' HD11 ' A' ' 30' ' ' LEU . 93.4 mt -59.35 -42.32 91.28 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.883 0.373 . . . . 0.0 110.828 178.59 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -66.43 -35.25 79.83 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.533 175.344 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.539 ' HG ' HG12 ' A' ' 58' ' ' ILE . 3.5 tm? -66.05 -42.55 89.36 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-O 121.311 0.577 . . . . 0.0 109.684 177.526 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.58 HD23 ' O ' ' A' ' 80' ' ' LEU . 4.0 mm? -66.54 -13.27 60.74 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.251 -0.886 . . . . 0.0 111.709 -179.716 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 48.6 m -91.81 -32.13 15.48 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 120.967 0.413 . . . . 0.0 110.577 -176.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.423 ' HB2' HG13 ' A' ' 39' ' ' VAL . . . -68.56 -47.46 66.79 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.987 -177.522 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.506 HD12 ' N ' ' A' ' 88' ' ' VAL . 1.0 OUTLIER -76.28 -24.21 54.43 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 113.046 0.758 . . . . 0.0 113.046 -171.566 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.506 ' N ' HD12 ' A' ' 87' ' ' LEU . 19.5 m -85.41 -21.31 7.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 C-N-CA 120.093 -0.643 . . . . 0.0 110.428 177.043 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 70.7 t60 -71.78 -37.22 70.48 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.29 178.382 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.484 HG22 ' O ' ' A' ' 87' ' ' LEU . 16.6 m -64.41 -26.12 39.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 C-N-CA 120.699 -0.401 . . . . 0.0 111.178 -175.123 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.632 ' HA ' ' HB3' ' A' ' 94' ' ' ALA . 3.6 mm? -66.94 -22.07 65.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.037 179.223 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 26.2 t -59.76 -29.52 68.23 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-O 120.79 0.329 . . . . 0.0 110.684 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.411 ' HB3' HG12 ' B' ' 99' ' ' VAL . 8.5 t -123.2 13.28 9.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.408 0.623 . . . . 0.0 109.915 -179.683 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.632 ' HB3' ' HA ' ' A' ' 91' ' ' LEU . . . -101.93 98.0 8.28 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.618 179.573 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 33.2 t -72.63 84.57 1.16 Allowed 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.169 -0.469 . . . . 0.0 109.789 176.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.744 HD13 ' HB1' ' B' ' 47' ' ' ALA . 18.6 tt -68.0 142.79 15.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.703 178.58 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -82.5 -97.16 0.5 Allowed Glycine 0 N--CA 1.447 -0.605 0 C-N-CA 120.595 -0.812 . . . . 0.0 111.586 178.617 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 11.3 t30 -145.23 124.73 13.15 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.869 0.366 . . . . 0.0 110.299 176.63 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.588 HG12 ' HB2' ' B' ' 93' ' ' SER . 15.4 m -100.26 151.95 4.95 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.493 -179.748 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 48.7 m -117.16 150.22 39.07 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.459 -178.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' SER . . . . . 0.433 ' HB3' ' HB2' ' B' ' 40' ' ' SER . 47.2 m -80.46 44.38 0.7 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.451 -177.399 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 7.7 p -136.22 130.81 48.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-O 121.081 0.467 . . . . 0.0 110.423 -178.024 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 101.11 -12.3 58.8 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.829 -0.7 . . . . 0.0 112.504 178.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 21.2 t -57.23 -33.51 43.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.716 0.293 . . . . 0.0 110.318 178.209 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -50.8 -42.37 58.03 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.595 177.696 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 15.5 m -77.12 -39.11 50.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.35 -178.214 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 31.8 m -59.75 -35.42 74.56 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-O 121.148 0.499 . . . . 0.0 110.57 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.568 HD21 HG21 ' B' ' 39' ' ' VAL . 2.9 mt -61.47 -26.1 67.68 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.517 -0.765 . . . . 0.0 111.754 179.268 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -72.95 -23.7 60.71 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.073 0.464 . . . . 0.0 110.325 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 33.5 t -85.07 -39.47 14.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.934 -176.741 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.501 HG12 ' O ' ' A' ' 108' ' ' LEU . 11.3 p -60.58 -29.43 44.7 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.332 0 CA-C-O 121.301 0.572 . . . . 0.0 110.535 -178.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 112' ' ' GLN . . . . . 0.514 ' HG3' ' O ' ' A' ' 108' ' ' LEU . 25.4 mt-30 -67.39 -21.52 65.6 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.29 -178.499 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -85.62 -26.33 26.12 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.317 0.58 . . . . 0.0 110.809 -173.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 6.7 m -83.82 -44.85 13.92 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.709 -173.604 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.61 HG11 HD22 ' B' ' 81' ' ' LEU . 9.6 p -107.98 -21.41 5.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-O 121.045 0.45 . . . . 0.0 111.376 -173.106 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -57.82 -28.88 60.98 Favored Glycine 0 C--O 1.229 -0.205 0 CA-C-N 115.919 -0.582 . . . . 0.0 113.192 -176.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -78.47 -14.81 59.19 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-O 120.606 0.241 . . . . 0.0 111.532 -178.637 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' TYR . . . . . 0.466 ' HB3' HD23 ' A' ' 76' ' ' LEU . 82.7 m-85 -97.08 -35.43 10.81 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-O 121.037 0.446 . . . . 0.0 110.376 -179.39 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 33.5 m -86.85 -8.38 11.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.963 178.85 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 C-N-CA 120.678 -0.772 . . . . 0.0 113.02 -179.838 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.489 0 N-CA-C 112.32 -0.312 . . . . 0.0 112.32 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' -4' ' ' SER . . . . . . . . . . . . . 13.4 t -156.38 16.46 0.33 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.947 0.403 . . . . 0.0 110.431 179.331 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' -3' ' ' GLY . . . . . . . . . . . . . . . 86.76 7.5 78.22 Favored Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.795 -0.717 . . . . 0.0 111.841 -178.34 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' -2' ' ' ASN . . . . . . . . . . . . . 4.8 p-10 -84.94 76.11 10.3 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.642 0.734 . . . . 0.0 111.055 -177.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' -1' ' ' SER . . . . . . . . . . . . . 16.7 p -119.7 93.6 4.12 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.088 176.888 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 69.4 t -124.62 131.03 73.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.263 -177.605 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 18.5 p -83.2 64.66 7.83 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.282 0.563 . . . . 0.0 110.977 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 23.3 t -152.61 -170.48 3.65 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.747 -0.66 . . . . 0.0 109.724 -178.07 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . 84.64 -113.49 3.78 Favored Glycine 0 N--CA 1.443 -0.881 0 C-N-CA 120.924 -0.655 . . . . 0.0 112.056 178.667 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 5' ' ' GLY . . . . . 0.508 ' HA2' ' HB1' ' B' ' 19' ' ' ALA . . . 75.87 -75.2 1.51 Allowed Glycine 0 N--CA 1.448 -0.504 0 C-N-CA 120.805 -0.712 . . . . 0.0 111.437 -177.006 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 6' ' ' TYR . . . . . 0.426 ' HA ' ' HB ' ' B' ' 10' ' ' THR . 19.5 p90 -71.62 -176.11 1.51 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.818 0.342 . . . . 0.0 110.215 176.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . 79.14 -71.54 2.61 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.632 -0.794 . . . . 0.0 112.069 -178.653 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 53.8 m-85 -87.15 -33.7 19.32 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.89 0.376 . . . . 0.0 110.479 178.325 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -121.99 45.0 1.26 Allowed Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 120.936 -0.649 . . . . 0.0 112.521 -179.275 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 10' ' ' THR . . . . . 0.426 ' HB ' ' HA ' ' B' ' 6' ' ' TYR . 14.9 t -110.93 -4.96 14.96 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.096 0.474 . . . . 0.0 110.23 177.717 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 4.7 m -77.74 -29.89 51.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.762 -0.654 . . . . 0.0 112.095 -171.503 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . 65.86 7.46 4.62 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 122.994 0.517 . . . . 0.0 111.597 -176.829 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -122.12 -25.77 4.84 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.468 179.171 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -91.75 151.49 20.6 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 177.484 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . -163.29 95.76 0.13 Allowed Glycine 0 N--CA 1.444 -0.817 0 C-N-CA 120.0 -1.095 . . . . 0.0 113.451 -175.795 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . 177.51 92.2 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 108.981 -0.748 . . . . 0.0 108.981 173.873 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 56.67 44.63 91.23 Favored Glycine 0 CA--C 1.521 0.441 0 C-N-CA 120.563 -0.827 . . . . 0.0 111.811 -172.644 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 18' ' ' VAL . . . . . 0.477 ' CG2' ' HA ' ' B' ' 23' ' ' TYR . 0.8 OUTLIER -80.01 -58.82 3.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 N-CA-C 112.199 0.444 . . . . 0.0 112.199 -174.369 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 19' ' ' ALA . . . . . 0.508 ' HB1' ' HA2' ' B' ' 5' ' ' GLY . . . -105.22 176.18 5.25 Favored 'General case' 0 C--N 1.316 -0.862 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 -178.234 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -65.6 -46.54 78.98 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 120.889 0.375 . . . . 0.0 110.513 -179.594 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 21' ' ' GLY . . . . . 0.43 ' HA3' ' CA ' ' A' ' 21' ' ' GLY . . . -133.82 35.91 2.19 Favored Glycine 0 N--CA 1.446 -0.634 0 N-CA-C 111.557 -0.617 . . . . 0.0 111.557 -178.817 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 22' ' ' SER . . . . . 0.48 ' HB2' ' HB3' ' B' ' 19' ' ' ALA . 8.8 m -151.94 131.13 12.74 Favored 'General case' 0 N--CA 1.443 -0.802 0 CA-C-N 115.484 -0.358 . . . . 0.0 110.243 179.159 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 23' ' ' TYR . . . . . 0.477 ' HA ' ' CG2' ' B' ' 18' ' ' VAL . 0.4 OUTLIER -148.29 126.18 11.96 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.332 -178.891 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -82.12 -15.16 54.34 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.446 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.14 -30.49 77.92 Favored Glycine 0 CA--C 1.509 -0.296 0 C-N-CA 120.996 -0.621 . . . . 0.0 111.851 179.121 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 26' ' ' ALA . . . . . 0.515 ' HB1' ' HB2' ' B' ' 78' ' ' GLN . . . -78.16 -0.24 27.57 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.072 0.463 . . . . 0.0 110.913 178.642 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 27' ' ' VAL . . . . . 0.512 HG22 ' CD1' ' B' ' 81' ' ' LEU . 2.6 t -110.45 -49.27 6.68 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.441 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.021 -177.659 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 28' ' ' ASN . . . . . 0.408 ' HA ' ' NE2' ' A' ' 112' ' ' GLN . 2.3 p-10 -74.15 0.79 12.84 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 120.382 -0.527 . . . . 0.0 111.079 -177.32 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 80.4 ttt180 -93.69 -5.01 49.5 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.35 0.595 . . . . 0.0 109.962 175.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 30' ' ' LEU . . . . . 0.545 HD11 ' HB3' ' B' ' 81' ' ' LEU . 84.9 mt -74.42 -22.59 59.07 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.962 -177.817 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 59.8 p -81.23 6.8 12.97 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.422 179.797 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 41.5 t -89.04 156.35 18.9 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.572 -0.74 . . . . 0.0 109.756 177.896 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.55 -21.98 63.15 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.791 0.329 . . . . 0.0 111.116 -179.809 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -52.53 -63.33 1.18 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.958 178.894 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 35' ' ' ALA . . . . . 0.412 ' O ' HG23 ' B' ' 39' ' ' VAL . . . -61.44 -46.12 91.42 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.104 -178.482 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -58.66 -24.28 60.89 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.676 0.274 . . . . 0.0 111.737 -177.047 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 28.6 t -88.31 -16.72 32.35 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.739 179.663 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 58.4 mtm-85 -101.61 -49.96 3.86 Favored 'General case' 0 CA--C 1.513 -0.447 0 CA-C-O 121.49 0.662 . . . . 0.0 109.729 -179.19 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 39' ' ' VAL . . . . . 0.568 HG21 HD21 ' A' ' 108' ' ' LEU . 67.6 t -58.31 -31.66 43.07 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.756 0 CA-C-N 114.604 -1.18 . . . . 0.0 111.472 -178.254 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 40' ' ' SER . . . . . 0.433 ' HB2' ' HB3' ' A' ' 101' ' ' SER . 63.8 p -78.05 -7.05 56.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.898 0.38 . . . . 0.0 111.276 -177.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 40.8 t -94.19 -21.5 19.03 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.756 0.788 . . . . 0.0 109.068 174.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 42' ' ' ASN . . . . . 0.458 ' OD1' HD11 ' B' ' 61' ' ' ILE . 10.2 m120 -86.34 -28.3 23.75 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 114.81 -1.086 . . . . 0.0 109.81 -173.113 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 43' ' ' ILE . . . . . 0.531 HG13 ' N ' ' B' ' 44' ' ' ALA . 5.4 pt -55.11 -42.36 64.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 114.976 -1.011 . . . . 0.0 111.966 -176.891 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 44' ' ' ALA . . . . . 0.531 ' N ' HG13 ' B' ' 43' ' ' ILE . . . -80.18 -12.46 59.64 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.174 0.511 . . . . 0.0 111.014 -175.11 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -90.31 -50.44 5.97 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.041 -179.332 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 54.2 mt -65.42 -33.71 65.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.433 -179.776 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 47' ' ' ALA . . . . . 0.744 ' HB1' HD13 ' A' ' 96' ' ' ILE . . . -65.05 -17.03 64.1 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.612 179.457 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 24.7 t -99.37 -39.03 8.59 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.782 0.325 . . . . 0.0 111.05 -177.716 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -99.53 -22.03 13.46 Favored Glycine 0 CA--C 1.518 0.25 0 C-N-CA 120.445 -0.884 . . . . 0.0 113.539 -175.096 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 76.2 -81.73 1.05 Allowed Glycine 0 N--CA 1.448 -0.562 0 N-CA-C 111.132 -0.787 . . . . 0.0 111.132 -178.237 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -115.17 -20.27 10.48 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-O 121.325 0.584 . . . . 0.0 109.84 177.055 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 8.4 t -74.72 -6.92 51.49 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.401 -0.818 . . . . 0.0 110.415 -176.829 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -101.03 -11.39 19.7 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.904 179.759 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 54' ' ' LEU . . . . . 0.437 HD11 HG11 ' A' ' 88' ' ' VAL . 59.1 mt -56.99 -56.16 36.3 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.894 -177.082 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 55' ' ' PRO . . . . . 0.436 ' HD2' ' N ' ' B' ' 54' ' ' LEU . 19.7 Cg_endo -62.02 -25.94 78.08 Favored 'Trans proline' 0 C--N 1.349 0.588 0 C-N-CA 121.85 1.7 . . . . 0.0 112.558 -178.924 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 15.3 m -78.05 -36.66 48.17 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.326 0.584 . . . . 0.0 110.601 178.635 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 57' ' ' VAL . . . . . 0.416 HG11 ' HB3' ' B' ' 42' ' ' ASN . 57.0 t -90.56 -44.78 14.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.567 -171.356 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 58' ' ' ILE . . . . . 0.507 HG12 ' HG ' ' B' ' 83' ' ' LEU . 51.6 mt -56.41 -43.19 76.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 121.01 0.433 . . . . 0.0 110.982 -179.682 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 74.3 m -68.97 -28.41 66.59 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.89 -177.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 80.1 m-20 -68.36 -45.02 73.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.986 0.422 . . . . 0.0 110.543 175.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 61' ' ' ILE . . . . . 0.458 HD11 ' OD1' ' B' ' 42' ' ' ASN . 40.1 mt -71.18 -45.74 69.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.036 179.366 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 62' ' ' TYR . . . . . 0.433 ' O ' HG23 ' B' ' 66' ' ' VAL . 52.3 t80 -56.78 -50.61 71.78 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.866 -177.077 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 63.1 m -60.56 -30.71 69.95 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.931 0.396 . . . . 0.0 110.683 178.65 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -70.93 -43.74 57.31 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.797 -0.716 . . . . 0.0 111.852 179.47 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 65' ' ' VAL . . . . . 0.669 HG12 HG11 ' B' ' 70' ' ' VAL . 79.3 t -68.43 -45.85 81.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-O 120.783 0.325 . . . . 0.0 111.185 -179.414 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 66' ' ' VAL . . . . . 0.433 HG23 ' O ' ' B' ' 62' ' ' TYR . 88.5 t -60.85 -37.07 75.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.251 -178.889 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.33 -15.25 62.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.779 179.724 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 39.3 t -74.47 -18.64 60.6 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.93 0.395 . . . . 0.0 110.656 179.041 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 95.97 35.04 5.7 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.609 -0.805 . . . . 0.0 112.23 -178.805 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.669 HG11 HG12 ' B' ' 65' ' ' VAL . 14.5 p -97.36 161.51 2.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 110.076 -0.342 . . . . 0.0 110.076 179.661 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 71' ' ' SER . . . . . 0.401 ' N ' HG22 ' B' ' 70' ' ' VAL . 34.3 t -61.96 144.82 54.5 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 110.074 -0.343 . . . . 0.0 110.074 175.213 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 5.3 p -60.55 -47.08 87.76 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 111.924 0.342 . . . . 0.0 111.924 -175.902 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -70.91 -30.83 67.28 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.891 0.376 . . . . 0.0 110.124 -178.27 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -76.64 -32.6 58.1 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.129 0.49 . . . . 0.0 110.008 179.735 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 75' ' ' ALA . . . . . 0.583 ' HB2' HG13 ' B' ' 70' ' ' VAL . . . -61.55 -39.46 91.16 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.67 -0.695 . . . . 0.0 111.304 177.862 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 76' ' ' LEU . . . . . 0.405 ' O ' ' HB2' ' B' ' 80' ' ' LEU . 2.7 tm? -53.99 -39.97 66.53 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.227 178.649 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 77' ' ' ILE . . . . . 0.627 ' O ' ' HG ' ' B' ' 81' ' ' LEU . 43.0 mm -69.63 -55.52 14.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.223 -178.568 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 78' ' ' GLN . . . . . 0.515 ' HB2' ' HB1' ' B' ' 26' ' ' ALA . 30.9 tt0 -57.86 -47.03 83.92 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 120.616 0.246 . . . . 0.0 111.162 179.373 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.5 -35.67 76.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.796 -178.85 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 80' ' ' LEU . . . . . 0.561 ' O ' HD23 ' B' ' 84' ' ' LEU . 4.0 mt -75.93 -42.23 49.41 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.218 178.666 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 81' ' ' LEU . . . . . 0.627 ' HG ' ' O ' ' B' ' 77' ' ' ILE . 20.4 mt -65.19 -36.88 85.58 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 120.748 0.309 . . . . 0.0 110.915 -177.862 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 -63.47 -35.94 82.09 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.195 171.72 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 83' ' ' LEU . . . . . 0.507 ' HG ' HG12 ' B' ' 58' ' ' ILE . 3.4 tm? -67.27 -41.85 84.84 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-O 121.172 0.511 . . . . 0.0 109.688 177.686 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 84' ' ' LEU . . . . . 0.561 HD23 ' O ' ' B' ' 80' ' ' LEU . 4.2 mm? -66.54 -12.67 58.81 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.438 -0.801 . . . . 0.0 111.736 -179.741 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 85' ' ' SER . . . . . 0.448 ' OG ' HG11 ' A' ' 111' ' ' VAL . 47.7 m -91.71 -31.99 15.6 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 120.978 0.418 . . . . 0.0 110.408 -177.181 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 86' ' ' ALA . . . . . 0.426 ' HB2' HG13 ' B' ' 39' ' ' VAL . . . -69.11 -46.03 68.72 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.9 -176.593 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 87' ' ' LEU . . . . . 0.464 HD22 HD13 ' A' ' 87' ' ' LEU . 1.4 pp -77.34 -18.04 57.76 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.494 -0.776 . . . . 0.0 113.087 -171.692 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 88' ' ' VAL . . . . . 0.516 HG11 HD11 ' A' ' 54' ' ' LEU . 15.6 m -90.6 -21.84 6.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 C-N-CA 120.097 -0.641 . . . . 0.0 110.677 176.584 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 89' ' ' HIS . . . . . . . . . . . . . 74.7 t60 -71.4 -35.11 70.9 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.051 178.019 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 90' ' ' VAL . . . . . 0.54 ' HA ' HG11 ' A' ' 99' ' ' VAL . 22.2 m -65.18 -28.53 44.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.751 -176.437 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 91' ' ' LEU . . . . . 0.633 ' HA ' ' HB3' ' B' ' 94' ' ' ALA . 3.1 mm? -62.82 -23.35 67.23 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.924 -179.756 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 22.7 t -67.19 -20.37 65.7 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.065 -179.725 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 93' ' ' SER . . . . . 0.588 ' HB2' HG12 ' A' ' 99' ' ' VAL . 17.9 m -124.27 12.43 8.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.357 0.599 . . . . 0.0 110.169 177.238 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 94' ' ' ALA . . . . . 0.633 ' HB3' ' HA ' ' B' ' 91' ' ' LEU . . . -111.0 101.13 9.71 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.048 -178.353 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 22.7 t -78.0 89.54 4.16 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 176.695 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 96' ' ' ILE . . . . . 0.696 HD13 ' HB1' ' A' ' 47' ' ' ALA . 20.1 tt -67.47 144.07 14.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.268 -179.222 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 97' ' ' GLY . . . . . . . . . . . . . . . -95.73 -116.93 3.15 Favored Glycine 0 N--CA 1.445 -0.722 0 C-N-CA 120.864 -0.684 . . . . 0.0 112.408 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 98' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -112.42 103.65 11.76 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.064 0.459 . . . . 0.0 110.591 -176.526 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 99' ' ' VAL . . . . . 0.531 ' CG1' HD11 ' B' ' 96' ' ' ILE . 14.4 m -89.29 163.82 2.31 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.35 175.651 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 100' ' ' SER . . . . . . . . . . . . . 66.5 m -142.67 157.65 44.46 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.211 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 101' ' ' SER . . . . . 0.493 ' HB3' ' HB2' ' A' ' 40' ' ' SER . 51.0 m -74.72 -14.42 60.72 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.332 0.587 . . . . 0.0 111.191 -177.536 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 44.4 t -77.88 101.2 3.48 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.944 -176.047 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . 129.35 -10.26 6.17 Favored Glycine 0 N--CA 1.448 -0.503 0 CA-C-N 115.758 -0.656 . . . . 0.0 112.952 176.779 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 104' ' ' VAL . . . . . . . . . . . . . 29.6 t -59.61 -35.36 58.99 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.272 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 175.146 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -49.47 -41.41 40.3 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.044 -0.98 . . . . 0.0 110.811 175.364 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 20.5 m -81.67 -35.11 30.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.579 -176.646 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 23.9 m -63.2 -38.13 89.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.143 0.497 . . . . 0.0 111.072 -179.677 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 108' ' ' LEU . . . . . 0.605 ' O ' HG12 ' B' ' 111' ' ' VAL . 4.5 mt -57.81 -33.87 69.04 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.442 -0.799 . . . . 0.0 111.964 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 109' ' ' ASN . . . . . . . . . . . . . 19.0 m-80 -69.39 -20.35 63.81 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.817 0.341 . . . . 0.0 111.406 -179.385 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 110' ' ' VAL . . . . . . . . . . . . . 40.1 t -87.88 -38.8 12.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.024 -178.153 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 111' ' ' VAL . . . . . 0.605 HG12 ' O ' ' B' ' 108' ' ' LEU . 7.7 p -61.39 -27.53 42.11 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.274 0 CA-C-O 121.519 0.676 . . . . 0.0 110.303 -179.059 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 112' ' ' GLN . . . . . 0.512 ' HG3' ' O ' ' B' ' 108' ' ' LEU . 24.7 mt-30 -67.15 -22.35 65.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.295 -0.866 . . . . 0.0 111.242 -179.463 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 113' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -79.88 -38.8 31.85 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.599 -175.583 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 4.2 m -77.89 -41.52 36.38 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.311 -0.858 . . . . 0.0 112.151 -169.826 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 115' ' ' VAL . . . . . . . . . . . . . 8.7 p -108.36 -19.67 6.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-O 120.851 0.358 . . . . 0.0 111.364 -173.81 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 116' ' ' GLY . . . . . . . . . . . . . . . -57.53 -26.38 56.87 Favored Glycine 0 C--O 1.227 -0.314 0 CA-C-N 116.095 -0.502 . . . . 0.0 113.149 -178.359 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -87.28 6.53 32.89 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 111.899 0.333 . . . . 0.0 111.899 -178.086 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 118' ' ' TYR . . . . . . . . . . . . . 66.4 m-85 -119.86 -27.63 5.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.172 0.51 . . . . 0.0 110.428 176.781 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 119' ' ' VAL . . . . . 0.435 HG21 HG21 ' A' ' 27' ' ' VAL . 31.0 m -91.26 1.99 8.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.286 177.742 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.112 -1.382 . . . . 0.0 111.805 179.277 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.917 0 N-CA-C 112.447 -0.261 . . . . 0.0 112.447 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 26.8 t -104.34 103.95 13.76 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 178.497 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . 173.74 -150.73 12.2 Favored Glycine 0 N--CA 1.444 -0.768 0 C-N-CA 120.343 -0.932 . . . . 0.0 112.672 -179.638 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' -2' ' ' ASN . . . . . . . . . . . . . 45.7 t-20 -118.16 116.33 26.6 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 110.032 -0.359 . . . . 0.0 110.032 -173.095 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' -1' ' ' SER . . . . . 0.675 ' HB2' ' O ' ' B' ' -3' ' ' GLY . 15.1 m -113.79 -71.98 0.72 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.563 -0.29 . . . . 0.0 110.693 -179.649 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 1' ' ' VAL . . . . . 0.511 HG22 ' O ' ' B' ' -3' ' ' GLY . 15.3 m -120.46 175.16 4.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 N-CA-C 110.307 -0.257 . . . . 0.0 110.307 178.513 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.523 ' HA ' HG22 ' B' ' 2' ' ' THR . 14.7 t -117.16 156.26 27.96 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.423 178.106 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.5 m -82.27 148.24 28.47 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.736 -176.617 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -172.15 -146.21 5.24 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.193 178.157 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 86.16 -102.21 2.67 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.994 -0.622 . . . . 0.0 112.886 177.483 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 20.7 p90 -59.49 -29.9 68.17 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 111.9 0.333 . . . . 0.0 111.9 -173.242 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -67.69 -24.16 74.03 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.892 -0.67 . . . . 0.0 112.514 -175.806 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 68.6 m-85 -132.73 61.79 1.67 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.21 0.529 . . . . 0.0 110.128 177.704 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 130.29 47.34 0.14 Allowed Glycine 0 N--CA 1.447 -0.588 0 C-N-CA 120.448 -0.882 . . . . 0.0 113.148 175.386 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 8.9 t -82.07 -7.11 59.6 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.221 0.534 . . . . 0.0 109.651 175.02 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 63.7 m -156.52 175.16 14.39 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.49 -0.777 . . . . 0.0 109.291 178.435 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -69.7 167.17 17.62 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 110.002 -0.37 . . . . 0.0 110.002 175.198 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -73.27 75.1 1.33 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.295 0.569 . . . . 0.0 112.053 -177.142 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -89.92 -35.45 15.59 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.068 -0.716 . . . . 0.0 109.068 171.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.601 ' HA3' ' N ' ' A' ' 25' ' ' GLY . . . 133.67 -173.06 21.37 Favored Glycine 0 N--CA 1.441 -1.006 0 CA-C-N 115.344 -0.843 . . . . 0.0 112.494 176.703 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.414 ' HA ' ' OE2' ' A' ' 74' ' ' GLU . . . 63.84 82.89 0.17 Allowed 'General case' 0 C--N 1.331 -0.207 0 O-C-N 124.274 0.632 . . . . 0.0 111.603 177.555 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 64.03 49.88 64.28 Favored Glycine 0 CA--C 1.519 0.291 0 CA-C-N 115.423 -0.808 . . . . 0.0 113.107 179.392 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.451 ' CG2' ' HA ' ' A' ' 23' ' ' TYR . 2.3 m -93.5 -25.41 4.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 N-CA-C 112.103 0.409 . . . . 0.0 112.103 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -149.02 -179.92 7.39 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.488 -177.501 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.474 ' HB1' ' HB1' ' B' ' 20' ' ' ALA . . . -70.38 -46.61 63.7 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.37 -177.711 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -138.26 37.46 1.8 Allowed Glycine 0 N--CA 1.448 -0.528 0 N-CA-C 111.32 -0.712 . . . . 0.0 111.32 -178.785 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 19.2 m -152.42 126.31 9.02 Favored 'General case' 0 N--CA 1.442 -0.841 0 CA-C-N 115.348 -0.426 . . . . 0.0 110.418 179.571 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.521 ' CE1' ' HA ' ' A' ' 74' ' ' GLU . 0.1 OUTLIER -148.4 117.88 6.97 Favored 'General case' 0 N--CA 1.446 -0.629 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 -179.937 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -80.44 -23.69 40.12 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.798 -176.326 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.601 ' N ' ' HA3' ' A' ' 15' ' ' GLY . . . -65.31 -29.73 75.98 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.805 -0.712 . . . . 0.0 111.623 -178.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.501 ' HB1' ' HB2' ' A' ' 78' ' ' GLN . . . -70.0 -9.63 55.89 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.227 0.537 . . . . 0.0 110.219 176.85 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.503 HG22 ' CD1' ' A' ' 81' ' ' LEU . 2.9 t -102.81 -46.93 10.94 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.464 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.461 179.547 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 27.2 m120 -61.62 -30.39 70.67 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-O 121.287 0.565 . . . . 0.0 110.282 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 78.8 ttt180 -67.74 -14.13 62.69 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.247 -0.888 . . . . 0.0 111.371 -179.499 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.51 ' HB3' HD12 ' B' ' 108' ' ' LEU . 96.0 mt -66.65 -25.65 66.67 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.514 -177.627 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 31.8 p -80.99 10.91 4.46 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.281 0.562 . . . . 0.0 111.09 -179.713 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 28.2 t -93.69 159.62 15.13 Favored 'General case' 0 N--CA 1.449 -0.51 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 175.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.97 -21.28 63.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.236 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -52.21 -59.83 3.93 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.163 178.877 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.606 ' O ' HG23 ' A' ' 39' ' ' VAL . . . -61.24 -57.99 10.13 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.246 -179.43 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.88 -31.18 16.64 Favored 'General case' 0 N--CA 1.464 0.259 0 O-C-N 123.247 0.342 . . . . 0.0 111.815 -176.556 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 28.5 t -74.8 -26.77 59.96 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.698 -179.133 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.535 ' HD2' ' OE1' ' A' ' 82' ' ' GLU . 60.1 mtt180 -95.41 -46.04 6.87 Favored 'General case' 0 CA--C 1.516 -0.34 0 CA-C-O 121.944 0.878 . . . . 0.0 109.595 -177.668 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.606 HG23 ' O ' ' A' ' 35' ' ' ALA . 45.7 t -58.64 -40.72 80.09 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.773 0 CA-C-N 114.118 -1.401 . . . . 0.0 111.308 -176.715 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.469 ' HB2' ' HB3' ' B' ' 101' ' ' SER . 81.0 p -74.25 -12.36 60.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.062 0.458 . . . . 0.0 111.244 -178.082 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 40.1 t -89.03 -9.65 50.5 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.471 179.747 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 40.2 m-80 -120.91 -3.6 9.66 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.543 -174.712 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.519 HG13 ' N ' ' A' ' 44' ' ' ALA . 5.6 pt -58.56 -41.3 81.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.916 177.238 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.519 ' N ' HG13 ' A' ' 43' ' ' ILE . . . -77.45 -13.01 60.02 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.081 0.467 . . . . 0.0 110.79 -176.703 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -79.94 -52.96 7.2 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.97 179.335 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.447 HG21 ' HB3' ' A' ' 87' ' ' LEU . 27.9 mt -66.32 -33.84 66.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.492 -179.48 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.661 ' HB1' HD13 ' B' ' 96' ' ' ILE . . . -61.57 -22.28 65.05 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.388 178.399 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 34.0 m -101.77 -41.37 6.55 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.606 -175.101 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -93.76 -24.32 20.89 Favored Glycine 0 CA--C 1.517 0.204 0 C-N-CA 120.532 -0.842 . . . . 0.0 113.192 -176.64 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 73.73 -76.61 0.99 Allowed Glycine 0 N--CA 1.451 -0.333 0 N-CA-C 111.728 -0.549 . . . . 0.0 111.728 -178.537 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -114.95 -27.34 7.41 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 121.082 0.468 . . . . 0.0 110.103 179.815 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 13.3 m -71.36 -9.97 59.0 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.516 -179.112 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -88.58 -20.06 25.51 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.583 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.415 ' HB2' ' HD3' ' A' ' 55' ' ' PRO . 50.8 mt -54.02 -56.5 25.19 Favored Pre-proline 0 CA--C 1.537 0.469 0 CA-C-N 116.175 -0.466 . . . . 0.0 112.136 -177.322 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.415 ' HD3' ' HB2' ' A' ' 54' ' ' LEU . 27.8 Cg_endo -65.78 -11.6 31.5 Favored 'Trans proline' 0 C--N 1.354 0.84 0 C-N-CA 122.13 1.887 . . . . 0.0 112.829 -179.199 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 29.8 m -92.55 -45.27 8.19 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.081 0.467 . . . . 0.0 110.223 176.746 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 89.0 t -77.24 -40.36 29.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.614 -172.036 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.51 HG12 HD22 ' A' ' 83' ' ' LEU . 58.3 mt -59.41 -46.17 92.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.119 176.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 58.1 m -68.5 -28.66 67.21 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.917 -178.309 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -65.29 -56.58 11.92 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.163 0.506 . . . . 0.0 110.504 175.163 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 55.3 mt -70.03 -43.14 79.46 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 115.517 -0.765 . . . . 0.0 111.496 -174.678 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 50.3 t80 -54.56 -48.05 72.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.251 -177.617 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 13.3 t -64.95 -25.5 67.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.112 0.482 . . . . 0.0 110.591 -179.419 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -76.57 -38.65 32.01 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.722 -0.751 . . . . 0.0 111.349 178.004 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.648 HG12 HG11 ' A' ' 70' ' ' VAL . 92.5 t -71.43 -45.77 67.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 120.848 0.356 . . . . 0.0 111.077 179.446 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 71.1 t -59.99 -34.53 56.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-O 121.034 0.445 . . . . 0.0 111.099 -179.463 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.37 -15.26 47.55 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.967 178.352 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 43.0 t -78.61 -16.22 57.62 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.592 0.234 . . . . 0.0 111.411 -178.638 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 91.08 32.24 9.1 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.567 -0.825 . . . . 0.0 111.948 -177.884 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.648 HG11 HG12 ' A' ' 65' ' ' VAL . 12.2 p -90.94 161.42 2.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 115.605 -0.297 . . . . 0.0 110.251 -178.505 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 46.7 t -61.41 147.17 45.89 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 110.148 -0.316 . . . . 0.0 110.148 175.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 9.5 m -56.41 -51.51 68.1 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-O 121.016 0.436 . . . . 0.0 111.458 -176.648 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -74.69 -27.23 60.31 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.184 -175.686 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.521 ' HA ' ' CE1' ' A' ' 23' ' ' TYR . 36.1 tt0 -74.98 -33.85 61.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.008 0.432 . . . . 0.0 110.495 179.38 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.54 ' HB2' HG13 ' A' ' 70' ' ' VAL . . . -59.18 -37.53 77.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.84 177.162 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.536 HD23 ' HB3' ' A' ' 118' ' ' TYR . 2.9 tm? -56.53 -43.68 80.07 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.234 179.045 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.593 ' O ' ' HG ' ' A' ' 81' ' ' LEU . 43.8 mm -66.43 -56.87 12.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.054 -177.88 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' GLN . . . . . 0.501 ' HB2' ' HB1' ' A' ' 26' ' ' ALA . 23.1 tt0 -57.08 -47.79 80.18 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.643 0.259 . . . . 0.0 111.104 -179.635 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.37 -35.93 78.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.953 -178.628 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.447 HD23 ' HA ' ' A' ' 80' ' ' LEU . 4.2 mt -71.91 -45.23 61.95 Favored 'General case' 0 N--CA 1.449 -0.525 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.878 178.79 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.672 HD22 HG11 ' B' ' 115' ' ' VAL . 20.2 mt -63.38 -35.98 82.21 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 120.925 0.393 . . . . 0.0 110.572 -177.804 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.535 ' OE1' ' HD2' ' A' ' 38' ' ' ARG . 53.1 mt-10 -65.11 -31.24 72.34 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.603 172.564 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.51 HD22 HG12 ' A' ' 58' ' ' ILE . 21.0 tp -70.87 -47.57 58.55 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-O 120.703 0.287 . . . . 0.0 110.837 175.123 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.456 ' O ' HG22 ' A' ' 88' ' ' VAL . 6.3 mp -59.58 -14.98 15.43 Favored 'General case' 0 C--O 1.223 -0.321 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.384 -178.838 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 39.8 m -88.27 -33.95 17.87 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.769 0.318 . . . . 0.0 111.067 -178.715 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.42 ' HB2' HG13 ' A' ' 39' ' ' VAL . . . -69.95 -41.39 74.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.384 0.612 . . . . 0.0 110.662 -175.782 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.548 HD12 ' N ' ' A' ' 88' ' ' VAL . 1.8 pp -79.13 -25.62 42.9 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.424 -0.807 . . . . 0.0 112.729 -172.495 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.548 ' N ' HD12 ' A' ' 87' ' ' LEU . 17.2 m -86.6 -22.72 7.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 C-N-CA 120.057 -0.657 . . . . 0.0 110.704 177.641 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 72.9 t60 -66.56 -38.95 88.19 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.241 178.159 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.454 HG22 ' O ' ' A' ' 87' ' ' LEU . 22.3 m -67.41 -26.75 36.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.781 -174.267 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.671 ' HA ' ' HB3' ' A' ' 94' ' ' ALA . 3.4 mm? -61.78 -23.23 66.06 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.555 0.217 . . . . 0.0 111.185 -179.702 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 19.2 t -60.33 -31.93 70.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.768 -179.293 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 13.7 t -116.77 3.38 12.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.614 0.721 . . . . 0.0 109.795 -178.851 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.671 ' HB3' ' HA ' ' A' ' 91' ' ' LEU . . . -94.53 102.55 14.49 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.629 -179.822 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 12.3 t -73.67 89.33 1.75 Allowed 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.716 178.145 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.826 HD13 ' HB1' ' B' ' 47' ' ' ALA . 16.3 tt -73.96 148.82 8.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.603 -178.657 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -89.06 -131.51 4.13 Favored Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 120.984 -0.627 . . . . 0.0 111.803 176.273 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 11.0 t30 -116.03 95.38 5.07 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.456 0.646 . . . . 0.0 110.299 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.604 HG12 ' HB3' ' B' ' 93' ' ' SER . 21.4 m -73.58 131.85 34.29 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.528 179.762 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 43.4 m -105.02 152.23 22.98 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.33 -177.246 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' SER . . . . . 0.419 ' HB3' ' HB2' ' B' ' 40' ' ' SER . 19.4 m -78.7 27.92 0.21 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.159 -0.473 . . . . 0.0 112.118 -175.809 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 63.4 t -122.47 120.11 60.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 120.802 0.334 . . . . 0.0 110.428 -177.068 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 113.15 -9.6 24.84 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.882 -0.675 . . . . 0.0 112.604 177.73 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.418 HG22 ' CD2' ' B' ' 89' ' ' HIS . 21.4 t -59.83 -30.47 45.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 C-N-CA 122.214 0.206 . . . . 0.0 111.146 -178.477 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -51.05 -38.85 53.98 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-O 121.263 0.554 . . . . 0.0 111.241 -179.567 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 23.2 t -71.55 -29.36 64.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.078 -178.889 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 19.2 m -71.88 -35.71 69.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.611 -176.668 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.581 ' O ' HG12 ' A' ' 111' ' ' VAL . 4.5 mm? -57.86 -36.1 71.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.738 177.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 18.0 m-80 -70.36 -16.6 62.99 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.644 -177.889 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 40.1 t -92.37 -39.55 11.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 120.704 0.288 . . . . 0.0 110.969 -178.252 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.581 HG12 ' O ' ' A' ' 108' ' ' LEU . 7.8 p -60.44 -28.49 42.38 Favored 'Isoleucine or valine' 0 C--O 1.236 0.351 0 CA-C-O 121.415 0.626 . . . . 0.0 110.611 -178.698 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 112' ' ' GLN . . . . . 0.522 ' HG2' HG12 ' B' ' 27' ' ' VAL . 24.4 mt-30 -65.55 -26.84 68.06 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.027 -178.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -77.52 -34.68 53.95 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.747 -174.449 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 5.4 m -82.07 -41.31 20.74 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.671 -0.695 . . . . 0.0 112.094 -171.109 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.678 HG11 HD22 ' B' ' 81' ' ' LEU . 12.9 p -105.57 -21.53 5.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 120.817 0.341 . . . . 0.0 111.196 -173.154 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -57.33 -28.23 58.86 Favored Glycine 0 C--N 1.331 0.278 0 CA-C-N 116.042 -0.526 . . . . 0.0 113.171 -176.658 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -85.88 -1.8 57.63 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.635 0.255 . . . . 0.0 111.595 -177.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' TYR . . . . . 0.536 ' HB3' HD23 ' A' ' 76' ' ' LEU . 84.7 m-85 -110.85 -29.96 7.74 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.878 0.371 . . . . 0.0 110.624 177.523 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.44 ' O ' ' HB3' ' B' ' 22' ' ' SER . 35.6 m -89.52 -1.32 9.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 121.254 0.549 . . . . 0.0 110.468 175.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.644 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.865 178.485 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.428 0 N-CA-C 111.834 -0.506 . . . . 0.0 111.834 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' -4' ' ' SER . . . . . . . . . . . . . 47.1 t -173.17 139.25 0.79 Allowed 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 110.098 -0.334 . . . . 0.0 110.098 178.591 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' -3' ' ' GLY . . . . . 0.675 ' O ' ' HB2' ' A' ' -1' ' ' SER . . . 86.62 -75.32 2.24 Favored Glycine 0 N--CA 1.447 -0.619 0 C-N-CA 120.956 -0.64 . . . . 0.0 112.445 177.644 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' -2' ' ' ASN . . . . . . . . . . . . . 38.5 t-20 -128.28 88.76 2.8 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 121.12 0.485 . . . . 0.0 110.636 -177.383 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' -1' ' ' SER . . . . . . . . . . . . . 49.8 m -103.06 -68.22 0.84 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.714 175.732 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 33.2 m -123.09 145.8 29.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 174.541 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 2' ' ' THR . . . . . 0.523 HG22 ' HA ' ' A' ' 2' ' ' THR . 41.2 p -115.05 150.82 35.3 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.762 0.315 . . . . 0.0 111.737 -174.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 13.3 m -75.55 101.43 4.89 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.871 -179.771 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -135.89 -172.28 12.6 Favored Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 120.646 -0.788 . . . . 0.0 111.898 178.7 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . 82.98 -72.85 2.77 Favored Glycine 0 N--CA 1.447 -0.568 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.764 178.015 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 6' ' ' TYR . . . . . . . . . . . . . 44.4 p90 -56.84 -32.53 65.87 Favored 'General case' 0 N--CA 1.466 0.326 0 N-CA-C 111.953 0.353 . . . . 0.0 111.953 -174.486 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -64.5 -21.35 66.67 Favored Glycine 0 C--N 1.331 0.277 0 C-N-CA 121.051 -0.595 . . . . 0.0 112.846 -177.579 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 67.0 m-85 -130.23 23.95 5.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.381 0.61 . . . . 0.0 109.743 179.773 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 167.35 78.62 0.04 OUTLIER Glycine 0 N--CA 1.446 -0.647 0 CA-C-N 115.331 -0.85 . . . . 0.0 111.678 -178.541 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 10.1 t -116.62 -25.88 7.23 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.183 0.516 . . . . 0.0 110.339 178.281 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 49.4 m -150.05 156.92 42.53 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.532 -0.758 . . . . 0.0 108.993 178.052 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -73.98 85.92 1.79 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.009 0.433 . . . . 0.0 110.2 176.021 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -99.57 152.07 20.45 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.453 -179.036 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -87.37 -17.69 31.78 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.143 -179.21 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 15' ' ' GLY . . . . . 0.487 ' HA3' ' N ' ' B' ' 25' ' ' GLY . . . 169.08 -166.49 39.75 Favored Glycine 0 N--CA 1.447 -0.624 0 C-N-CA 120.247 -0.978 . . . . 0.0 112.977 178.668 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 16' ' ' ALA . . . . . 0.563 ' HA ' ' OE1' ' B' ' 74' ' ' GLU . . . 65.36 89.22 0.1 Allowed 'General case' 0 C--O 1.234 0.238 0 C-N-CA 123.325 0.65 . . . . 0.0 111.136 -178.182 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 70.39 44.03 60.24 Favored Glycine 0 CA--C 1.519 0.317 0 CA-C-N 115.364 -0.834 . . . . 0.0 113.154 -179.499 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 18' ' ' VAL . . . . . 0.543 ' CG2' ' HA ' ' B' ' 23' ' ' TYR . 0.2 OUTLIER -84.57 -60.79 2.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.74 0.305 . . . . 0.0 111.709 179.312 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -108.49 -169.41 1.5 Allowed 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.601 0.239 . . . . 0.0 110.526 -177.544 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 20' ' ' ALA . . . . . 0.474 ' HB1' ' HB1' ' A' ' 20' ' ' ALA . . . -74.03 -49.64 23.31 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.939 -178.556 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -133.99 22.56 3.81 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.911 -0.662 . . . . 0.0 111.67 -178.358 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 22' ' ' SER . . . . . 0.44 ' HB3' ' O ' ' A' ' 119' ' ' VAL . 27.2 m -136.29 130.18 32.56 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.202 -0.499 . . . . 0.0 110.101 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 23' ' ' TYR . . . . . 0.543 ' HA ' ' CG2' ' B' ' 18' ' ' VAL . 0.1 OUTLIER -148.95 117.55 6.57 Favored 'General case' 0 N--CA 1.445 -0.676 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.32 -178.166 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.14 -22.72 52.15 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.734 179.326 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 25' ' ' GLY . . . . . 0.487 ' N ' ' HA3' ' B' ' 15' ' ' GLY . . . -64.02 -28.77 73.3 Favored Glycine 0 N--CA 1.453 -0.201 0 C-N-CA 121.08 -0.581 . . . . 0.0 112.53 -178.533 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 26' ' ' ALA . . . . . 0.509 ' HB1' ' HB2' ' B' ' 78' ' ' GLN . . . -71.46 -19.88 62.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.307 0.575 . . . . 0.0 110.166 177.897 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 27' ' ' VAL . . . . . 0.522 HG12 ' HG2' ' A' ' 112' ' ' GLN . 2.3 t -90.34 -42.21 13.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.254 -0.884 . . . . 0.0 109.92 179.707 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 77.8 m-20 -67.17 -21.63 65.79 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.445 -0.798 . . . . 0.0 111.409 -175.185 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 6.5 ptp180 -88.83 3.9 49.56 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.937 0.399 . . . . 0.0 110.777 -179.363 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 30' ' ' LEU . . . . . 0.466 ' HB3' HD12 ' A' ' 108' ' ' LEU . 91.5 mt -75.1 -26.42 59.26 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.204 -178.821 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 11.2 p -78.59 1.77 21.51 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.248 0.547 . . . . 0.0 110.72 178.64 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 47.2 t -77.15 151.24 35.41 Favored 'General case' 0 N--CA 1.445 -0.687 0 N-CA-C 108.947 -0.761 . . . . 0.0 108.947 173.31 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.34 -16.77 49.41 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.895 0.378 . . . . 0.0 111.425 -178.16 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 34' ' ' GLU . . . . . 0.413 ' O ' ' HG3' ' B' ' 38' ' ' ARG . 27.6 mt-10 -55.72 -61.46 2.34 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.892 178.507 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 35' ' ' ALA . . . . . 0.519 ' O ' HG23 ' B' ' 39' ' ' VAL . . . -57.02 -51.8 67.82 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.665 179.619 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -58.05 -18.33 23.78 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 112.263 0.468 . . . . 0.0 112.263 -177.139 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 31.8 t -89.45 -27.98 20.02 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.384 178.274 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 38' ' ' ARG . . . . . 0.521 ' HD2' ' OE1' ' B' ' 82' ' ' GLU . 70.5 mtt180 -92.44 -47.44 7.16 Favored 'General case' 0 CA--C 1.515 -0.388 0 CA-C-O 121.938 0.875 . . . . 0.0 109.425 -176.151 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 39' ' ' VAL . . . . . 0.558 ' O ' HG23 ' B' ' 43' ' ' ILE . 59.9 t -57.52 -41.32 78.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 CA-C-N 114.02 -1.445 . . . . 0.0 110.673 -178.67 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 40' ' ' SER . . . . . 0.428 ' O ' HG12 ' B' ' 43' ' ' ILE . 65.2 p -72.78 -13.87 61.41 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.729 -177.453 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 35.3 t -90.84 -11.54 39.02 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.234 0.54 . . . . 0.0 110.399 -178.223 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 42' ' ' ASN . . . . . 0.474 ' HB3' HG13 ' B' ' 57' ' ' VAL . 43.4 m-80 -117.75 -6.12 11.08 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.307 -175.616 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 43' ' ' ILE . . . . . 0.558 HG23 ' O ' ' B' ' 39' ' ' VAL . 6.6 pt -56.75 -43.43 79.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.472 179.556 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 44' ' ' ALA . . . . . 0.509 ' N ' HG13 ' B' ' 43' ' ' ILE . . . -74.8 -15.65 60.74 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.081 0.467 . . . . 0.0 111.166 -174.382 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -78.97 -51.08 10.12 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.8 179.573 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 46' ' ' ILE . . . . . 0.413 HG21 ' HB3' ' B' ' 87' ' ' LEU . 34.2 mt -64.47 -33.61 64.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.512 179.483 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 47' ' ' ALA . . . . . 0.826 ' HB1' HD13 ' A' ' 96' ' ' ILE . . . -63.82 -25.78 68.33 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.415 179.222 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 38.9 m -99.37 -33.58 10.65 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.593 -175.579 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -97.36 -21.67 19.16 Favored Glycine 0 CA--C 1.517 0.215 0 C-N-CA 120.438 -0.887 . . . . 0.0 113.102 -178.064 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 74.43 -76.55 1.11 Allowed Glycine 0 N--CA 1.451 -0.334 0 N-CA-C 111.476 -0.65 . . . . 0.0 111.476 -178.763 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -123.2 -17.36 6.66 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-O 121.126 0.489 . . . . 0.0 110.57 179.066 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 7.7 m -72.2 -20.65 61.54 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.447 -177.686 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -90.42 -13.22 35.37 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.785 -176.902 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 54' ' ' LEU . . . . . 0.541 ' O ' HG13 ' B' ' 58' ' ' ILE . 37.4 mt -54.74 -58.63 13.45 Favored Pre-proline 0 C--N 1.326 -0.422 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.8 -177.566 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 55' ' ' PRO . . . . . 0.423 ' HD2' ' N ' ' B' ' 54' ' ' LEU . 19.6 Cg_endo -59.37 -22.93 68.0 Favored 'Trans proline' 0 C--N 1.353 0.804 0 C-N-CA 122.12 1.88 . . . . 0.0 112.417 -177.159 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 5.7 m -86.85 -40.25 15.08 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.213 0.53 . . . . 0.0 110.677 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 57' ' ' VAL . . . . . 0.474 HG13 ' HB3' ' B' ' 42' ' ' ASN . 42.3 t -79.24 -39.05 20.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.497 -173.217 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 58' ' ' ILE . . . . . 0.64 HG12 HD22 ' B' ' 83' ' ' LEU . 57.9 mt -59.04 -39.65 78.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.794 176.678 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 7.5 t -69.17 -38.22 78.6 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.088 -178.473 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 96.2 m-20 -61.03 -46.56 90.24 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.754 179.328 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 63.7 mt -74.75 -45.17 45.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 115.54 -0.755 . . . . 0.0 111.052 -178.789 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 62' ' ' TYR . . . . . 0.439 ' O ' HG23 ' B' ' 66' ' ' VAL . 53.8 t80 -56.29 -48.89 75.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.913 -179.253 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 32.3 t -60.61 -31.03 70.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.97 0.414 . . . . 0.0 110.444 179.124 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -73.6 -42.16 41.1 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.802 -0.714 . . . . 0.0 111.56 179.291 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 65' ' ' VAL . . . . . 0.693 HG12 HG11 ' B' ' 70' ' ' VAL . 96.0 t -66.51 -46.13 87.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-O 121.019 0.438 . . . . 0.0 110.92 178.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 66' ' ' VAL . . . . . 0.439 HG23 ' O ' ' B' ' 62' ' ' TYR . 98.9 t -62.87 -38.81 82.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.042 -179.005 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -73.18 -6.29 44.86 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.86 0.362 . . . . 0.0 111.668 -179.724 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 22.9 t -85.36 -14.65 45.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.932 0.396 . . . . 0.0 110.465 179.633 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 93.29 34.9 6.48 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.465 -0.874 . . . . 0.0 112.342 -179.281 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.693 HG11 HG12 ' B' ' 65' ' ' VAL . 12.7 p -82.24 162.42 3.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 N-CA-C 110.133 -0.321 . . . . 0.0 110.133 177.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 71' ' ' SER . . . . . 0.4 ' N ' HG22 ' B' ' 70' ' ' VAL . 28.9 t -66.31 146.09 54.99 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 174.349 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 7.4 m -52.53 -55.93 18.76 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 112.834 0.679 . . . . 0.0 112.834 -170.811 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 73' ' ' ASN . . . . . 0.499 ' HB3' ' OH ' ' B' ' 23' ' ' TYR . 0.2 OUTLIER -79.43 -24.99 42.11 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.967 0.413 . . . . 0.0 110.358 -176.363 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 74' ' ' GLU . . . . . 0.563 ' OE1' ' HA ' ' B' ' 16' ' ' ALA . 37.6 tt0 -69.03 -28.28 66.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.984 0.421 . . . . 0.0 110.203 179.122 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -54.68 -43.8 72.78 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.393 178.465 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 76' ' ' LEU . . . . . 0.475 HD23 ' HB3' ' B' ' 118' ' ' TYR . 2.9 tm? -58.02 -43.74 86.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.449 -179.747 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 77' ' ' ILE . . . . . 0.636 ' O ' ' HG ' ' B' ' 81' ' ' LEU . 45.9 mm -65.79 -56.15 16.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.035 -177.306 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 78' ' ' GLN . . . . . 0.509 ' HB2' ' HB1' ' B' ' 26' ' ' ALA . 29.4 tt0 -58.05 -47.48 82.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.658 -0.246 . . . . 0.0 111.044 -179.663 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.91 -37.54 82.61 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.956 0.408 . . . . 0.0 110.787 -178.741 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 80' ' ' LEU . . . . . 0.415 HD23 ' HA ' ' B' ' 80' ' ' LEU . 3.6 mt -70.96 -44.83 65.24 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.913 178.65 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 81' ' ' LEU . . . . . 0.678 HD22 HG11 ' A' ' 115' ' ' VAL . 19.9 mt -63.9 -36.47 84.04 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 121.011 0.434 . . . . 0.0 110.682 -177.482 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 82' ' ' GLU . . . . . 0.521 ' OE1' ' HD2' ' B' ' 38' ' ' ARG . 50.6 mt-10 -63.76 -34.37 77.75 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.413 171.889 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 83' ' ' LEU . . . . . 0.64 HD22 HG12 ' B' ' 58' ' ' ILE . 23.6 tp -69.38 -46.33 67.18 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.873 0.368 . . . . 0.0 110.745 176.558 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 84' ' ' LEU . . . . . 0.414 ' O ' HG22 ' B' ' 88' ' ' VAL . 10.6 mp -59.62 -15.64 20.36 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.242 -179.626 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 85' ' ' SER . . . . . 0.416 ' OG ' HD13 ' A' ' 108' ' ' LEU . 30.3 m -91.46 -29.17 17.18 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.762 0.315 . . . . 0.0 110.802 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 86' ' ' ALA . . . . . 0.464 ' HB2' HG13 ' B' ' 39' ' ' VAL . . . -71.47 -43.91 65.72 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.407 0.622 . . . . 0.0 110.437 -177.128 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 87' ' ' LEU . . . . . 0.451 HD12 HG13 ' B' ' 88' ' ' VAL . 1.4 pp -80.19 -17.27 52.85 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.239 -0.891 . . . . 0.0 112.891 -172.08 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 88' ' ' VAL . . . . . 0.451 HG13 HD12 ' B' ' 87' ' ' LEU . 17.0 m -92.5 -24.88 5.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 C-N-CA 120.509 -0.476 . . . . 0.0 110.64 175.85 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 89' ' ' HIS . . . . . 0.418 ' CD2' HG22 ' A' ' 104' ' ' VAL . 77.3 t60 -66.14 -35.91 81.73 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.013 -0.54 . . . . 0.0 109.886 178.514 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 90' ' ' VAL . . . . . 0.526 ' HA ' HG11 ' A' ' 99' ' ' VAL . 22.3 m -65.92 -25.62 36.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.456 -175.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 91' ' ' LEU . . . . . 0.677 ' HA ' ' HB3' ' B' ' 94' ' ' ALA . 3.5 mm? -66.33 -20.22 66.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.813 0.34 . . . . 0.0 111.141 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 22.9 t -66.46 -22.29 66.2 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.855 179.162 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 93' ' ' SER . . . . . 0.604 ' HB3' HG12 ' A' ' 99' ' ' VAL . 23.1 t -121.85 11.44 10.39 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.613 0.72 . . . . 0.0 109.594 177.782 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 94' ' ' ALA . . . . . 0.677 ' HB3' ' HA ' ' B' ' 91' ' ' LEU . . . -108.26 95.92 6.0 Favored 'General case' 0 N--CA 1.446 -0.65 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.805 -179.324 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 16.7 t -77.03 87.26 3.54 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.538 -0.542 . . . . 0.0 109.538 177.663 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 96' ' ' ILE . . . . . 0.661 HD13 ' HB1' ' A' ' 47' ' ' ALA . 17.8 tt -67.78 144.6 14.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.22 -179.031 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 97' ' ' GLY . . . . . . . . . . . . . . . -92.87 -96.06 1.44 Allowed Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 120.847 -0.692 . . . . 0.0 112.369 -179.604 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 98' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -133.2 118.9 19.19 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.637 0.256 . . . . 0.0 110.728 -178.391 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 99' ' ' VAL . . . . . 0.44 HG11 ' HA ' ' A' ' 90' ' ' VAL . 4.2 m -111.4 128.41 67.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.773 177.374 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 100' ' ' SER . . . . . . . . . . . . . 26.1 m -94.96 151.98 18.73 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.225 179.383 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 101' ' ' SER . . . . . 0.469 ' HB3' ' HB2' ' A' ' 40' ' ' SER . 48.2 m -80.7 7.78 9.46 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.896 0.379 . . . . 0.0 111.902 -177.115 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 60.5 t -103.17 115.77 45.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 120.893 0.378 . . . . 0.0 110.371 -178.234 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . 123.02 -8.06 9.21 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.908 -0.663 . . . . 0.0 112.84 177.263 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 104' ' ' VAL . . . . . . . . . . . . . 38.3 t -61.69 -28.71 44.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 N-CA-C 111.597 0.221 . . . . 0.0 111.597 -177.48 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -46.41 -44.98 17.69 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.767 -179.725 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 36.0 t -69.07 -30.13 68.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.366 -177.646 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 20.3 m -71.22 -24.76 62.26 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.188 0.518 . . . . 0.0 110.123 -178.021 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 108' ' ' LEU . . . . . 0.518 HD11 HG21 ' A' ' 39' ' ' VAL . 4.5 mm? -68.34 -21.56 64.73 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.534 175.249 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 109' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -78.22 -38.04 44.05 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.825 -177.735 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 110' ' ' VAL . . . . . . . . . . . . . 8.7 p -81.89 -27.58 9.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.428 -174.825 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 111' ' ' VAL . . . . . 0.418 HG12 ' O ' ' B' ' 108' ' ' LEU . 10.1 p -64.99 -33.34 63.04 Favored 'Isoleucine or valine' 0 C--O 1.236 0.355 0 CA-C-O 121.173 0.511 . . . . 0.0 110.192 178.04 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 112' ' ' GLN . . . . . 0.506 ' HG3' ' O ' ' B' ' 108' ' ' LEU . 25.4 mt-30 -64.08 -27.86 69.39 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.648 -0.706 . . . . 0.0 110.389 179.064 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 113' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -76.67 -29.95 56.57 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 114.992 -1.004 . . . . 0.0 110.932 -175.249 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 6.3 m -85.27 -41.71 15.31 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.593 -0.73 . . . . 0.0 112.019 -172.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 115' ' ' VAL . . . . . 0.672 HG11 HD22 ' A' ' 81' ' ' LEU . 14.7 p -106.72 -22.04 5.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 120.783 0.325 . . . . 0.0 111.646 -172.404 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 116' ' ' GLY . . . . . . . . . . . . . . . -60.35 -22.68 59.06 Favored Glycine 0 C--O 1.228 -0.257 0 CA-C-N 116.201 -0.454 . . . . 0.0 113.107 -176.161 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -84.54 -0.2 52.24 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 111.729 0.27 . . . . 0.0 111.729 -178.75 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 118' ' ' TYR . . . . . 0.475 ' HB3' HD23 ' B' ' 76' ' ' LEU . 82.8 m-85 -115.01 -37.31 4.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.856 0.36 . . . . 0.0 110.67 177.432 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 119' ' ' VAL . . . . . 0.442 HG21 HG21 ' A' ' 27' ' ' VAL . 35.9 m -85.24 -1.06 6.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.485 -177.852 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.128 0 CA-C-O 117.904 -1.498 . . . . 0.0 111.408 178.756 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.72 0 N-CA-C 112.411 -0.275 . . . . 0.0 112.411 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 39.5 m -96.15 -21.02 18.17 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.818 0.342 . . . . 0.0 110.481 177.506 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . -90.23 147.66 19.3 Favored Glycine 0 N--CA 1.448 -0.566 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.14 179.685 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' -2' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -135.62 138.84 43.31 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 -177.572 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 27.1 p -114.76 123.5 49.41 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.662 0.268 . . . . 0.0 111.35 -177.753 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 50.0 t -124.73 115.9 45.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.109 -0.496 . . . . 0.0 109.875 176.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 13.6 t -95.33 125.11 39.73 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.4 0.619 . . . . 0.0 111.001 -177.419 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 54.1 m -155.67 138.32 15.13 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.751 -0.659 . . . . 0.0 109.538 177.901 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -164.83 -108.98 0.22 Allowed Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.534 -0.841 . . . . 0.0 112.663 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 110.13 -95.88 0.9 Allowed Glycine 0 N--CA 1.449 -0.467 0 N-CA-C 111.311 -0.715 . . . . 0.0 111.311 -175.653 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.411 ' HB2' HG22 ' A' ' 10' ' ' THR . 33.9 p90 -149.18 -174.16 4.57 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.789 -0.448 . . . . 0.0 109.789 176.475 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 113.98 -94.2 0.68 Allowed Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.548 -0.834 . . . . 0.0 112.216 178.006 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -80.17 -25.37 39.81 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.293 0.568 . . . . 0.0 110.087 179.43 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -147.13 148.52 20.21 Favored Glycine 0 N--CA 1.448 -0.52 0 N-CA-C 110.059 -1.216 . . . . 0.0 110.059 175.3 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.411 HG22 ' HB2' ' A' ' 6' ' ' TYR . 38.9 p -133.69 -80.5 0.47 Allowed 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 117.476 0.638 . . . . 0.0 111.891 -175.638 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 45.4 m -155.15 -54.81 0.09 Allowed 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.028 -0.533 . . . . 0.0 109.897 -177.028 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -177.71 85.57 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.534 178.158 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -98.62 -178.43 3.99 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.762 0.315 . . . . 0.0 110.729 175.873 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -87.52 62.81 7.3 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.688 0.756 . . . . 0.0 110.148 176.536 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.489 ' HA2' ' CG1' ' A' ' 18' ' ' VAL . . . -66.45 104.03 0.99 Allowed Glycine 0 N--CA 1.438 -1.206 0 CA-C-N 114.961 -1.018 . . . . 0.0 113.743 -179.436 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -132.94 94.4 3.36 Favored 'General case' 0 C--N 1.313 -0.995 0 N-CA-C 108.474 -0.936 . . . . 0.0 108.474 176.798 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 63.06 34.49 90.11 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.759 -0.734 . . . . 0.0 111.494 -169.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.489 ' CG1' ' HA2' ' A' ' 15' ' ' GLY . 2.1 m -77.96 -46.13 26.83 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.168 0 CA-C-O 121.055 0.455 . . . . 0.0 111.261 -178.499 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.503 ' HB3' ' HB2' ' A' ' 22' ' ' SER . . . -119.46 -178.22 3.55 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 116.054 -0.521 . . . . 0.0 109.788 178.815 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -68.15 -44.41 76.08 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 120.721 0.296 . . . . 0.0 111.653 -176.414 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -135.95 16.92 3.93 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.948 -0.644 . . . . 0.0 111.859 179.055 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.503 ' HB2' ' HB3' ' A' ' 19' ' ' ALA . 5.7 m -123.18 124.16 42.42 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 120.678 0.275 . . . . 0.0 110.75 -179.86 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.437 ' CE1' ' HA ' ' A' ' 74' ' ' GLU . 0.1 OUTLIER -150.06 111.26 4.4 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 178.766 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.454 ' H ' ' HA3' ' A' ' 15' ' ' GLY . . . -78.06 -15.9 58.5 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.755 -177.41 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.66 -30.68 78.35 Favored Glycine 0 N--CA 1.452 -0.29 0 N-CA-C 111.47 -0.652 . . . . 0.0 111.47 179.527 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.593 ' HB1' ' HB2' ' A' ' 78' ' ' GLN . . . -71.27 -11.39 60.89 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.189 0.519 . . . . 0.0 110.537 177.053 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.595 HG22 ' CD1' ' A' ' 81' ' ' LEU . 3.4 t -98.0 -43.17 11.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.866 -176.799 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 25.3 m120 -62.0 -31.96 72.38 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-O 121.098 0.475 . . . . 0.0 110.949 -178.21 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 79.4 ttt180 -68.25 -13.99 62.65 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.639 -0.709 . . . . 0.0 111.695 -178.339 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.447 HD11 ' HB3' ' A' ' 81' ' ' LEU . 81.6 mt -68.7 -21.12 64.43 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.838 0.351 . . . . 0.0 111.638 -176.437 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 32.0 t -79.3 -3.19 44.89 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.054 -177.601 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 39.8 m -86.83 157.56 19.53 Favored 'General case' 0 N--CA 1.442 -0.873 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.134 176.302 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.59 -16.49 48.6 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.779 -178.258 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -52.32 -59.88 3.88 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.707 178.512 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.65 ' O ' HG23 ' A' ' 39' ' ' VAL . . . -62.73 -51.98 65.05 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.527 -0.761 . . . . 0.0 110.179 179.011 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -48.51 -38.14 19.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.993 -176.393 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 32.5 m -74.29 -20.72 60.03 Favored 'General case' 0 CA--C 1.539 0.534 0 N-CA-C 112.152 0.427 . . . . 0.0 112.152 -178.156 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.403 HH11 ' HD3' ' A' ' 38' ' ' ARG . 50.6 mtm-85 -99.01 -40.79 7.87 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.593 0.711 . . . . 0.0 109.808 -177.608 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.65 HG23 ' O ' ' A' ' 35' ' ' ALA . 35.2 t -65.47 -39.88 86.53 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.832 0 CA-C-N 114.677 -1.147 . . . . 0.0 110.915 -178.813 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 80.8 p -77.47 -3.72 41.85 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.843 0.354 . . . . 0.0 111.872 -177.304 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 15.4 t -94.69 -16.81 22.79 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.508 0.67 . . . . 0.0 109.848 179.193 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 42.4 m-80 -110.97 -3.08 15.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.224 -176.293 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.454 HG23 ' O ' ' A' ' 39' ' ' VAL . 3.3 pt -61.21 -34.48 60.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-O 121.185 0.516 . . . . 0.0 110.464 175.916 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.447 ' N ' HG13 ' A' ' 43' ' ' ILE . . . -83.81 1.92 40.7 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.068 -178.371 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -99.73 -51.68 3.67 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.241 177.579 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.439 HG21 ' HB3' ' A' ' 87' ' ' LEU . 34.0 mt -65.8 -33.34 62.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.749 -178.325 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.65 ' HB1' HD13 ' B' ' 96' ' ' ILE . . . -66.92 -14.44 62.79 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.607 179.181 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 44.6 t -98.17 -42.9 7.22 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.099 -177.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -99.05 -21.59 15.24 Favored Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.418 -0.896 . . . . 0.0 113.334 -175.751 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 72.9 -76.75 0.84 Allowed Glycine 0 N--CA 1.452 -0.297 0 N-CA-C 111.596 -0.602 . . . . 0.0 111.596 -178.138 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -114.34 -22.64 9.8 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-O 121.219 0.533 . . . . 0.0 110.151 179.486 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.7 m -72.82 -11.56 60.65 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.609 -179.29 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -91.7 -19.36 22.71 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.717 -178.683 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.537 HD11 HG11 ' B' ' 88' ' ' VAL . 51.0 mt -53.51 -58.93 10.78 Favored Pre-proline 0 CA--C 1.534 0.352 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.918 -176.216 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.45 ' HD3' ' HB2' ' A' ' 54' ' ' LEU . 38.5 Cg_endo -66.44 -7.95 19.26 Favored 'Trans proline' 0 C--N 1.353 0.793 0 C-N-CA 122.213 1.942 . . . . 0.0 112.862 -176.321 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 46.4 m -101.54 -38.67 7.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.979 0.419 . . . . 0.0 110.926 178.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 71.6 t -80.19 -40.8 20.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.41 -175.657 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.484 HG12 ' HG ' ' A' ' 83' ' ' LEU . 68.8 mt -58.18 -38.33 67.5 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.318 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.945 176.529 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 31.8 t -66.6 -41.33 88.62 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.108 -179.406 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 95.5 m-20 -59.97 -53.9 52.39 Favored 'General case' 0 C--O 1.231 0.117 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.049 178.735 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 54.9 mt -68.57 -43.85 83.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 115.502 -0.772 . . . . 0.0 111.581 -176.124 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.44 ' O ' HG23 ' A' ' 66' ' ' VAL . 58.9 t80 -55.98 -50.47 70.74 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.735 0.302 . . . . 0.0 110.731 -177.835 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 55.7 m -66.67 -20.94 66.09 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.475 -178.597 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -79.14 -39.69 18.75 Favored Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 120.519 -0.848 . . . . 0.0 111.415 176.461 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.645 HG12 HG11 ' A' ' 70' ' ' VAL . 84.9 t -72.02 -44.25 66.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-O 120.825 0.345 . . . . 0.0 111.322 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.44 HG23 ' O ' ' A' ' 62' ' ' TYR . 95.3 t -60.04 -36.79 69.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.751 0.31 . . . . 0.0 111.075 -178.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.56 -8.12 31.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.864 179.6 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 22.7 t -83.84 -12.45 55.57 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.94 -179.5 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 96.35 32.82 6.48 Favored Glycine 0 N--CA 1.453 -0.225 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.428 179.332 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.645 HG11 HG12 ' A' ' 65' ' ' VAL . 12.6 p -100.79 156.48 4.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-O 120.553 0.216 . . . . 0.0 110.494 178.345 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 45.4 t -65.91 153.16 42.8 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.596 -0.274 . . . . 0.0 110.37 177.484 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 4.8 m -59.61 -51.13 71.15 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 112.039 0.385 . . . . 0.0 112.039 -174.722 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -71.3 -30.43 66.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.97 0.414 . . . . 0.0 110.05 -176.515 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.437 ' HA ' ' CE1' ' A' ' 23' ' ' TYR . 31.5 tt0 -75.09 -33.27 61.62 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.146 0.498 . . . . 0.0 110.029 178.499 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.613 ' HB2' HG13 ' A' ' 70' ' ' VAL . . . -62.66 -39.81 95.07 Favored 'General case' 0 CA--C 1.517 -0.312 0 CA-C-N 115.762 -0.653 . . . . 0.0 110.816 175.866 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -53.2 -42.64 66.47 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.038 178.264 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.712 ' O ' ' HG ' ' A' ' 81' ' ' LEU . 45.3 mm -66.48 -58.32 6.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.045 -179.482 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' GLN . . . . . 0.593 ' HB2' ' HB1' ' A' ' 26' ' ' ALA . 24.0 tt0 -56.43 -46.25 80.37 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-O 120.608 0.242 . . . . 0.0 111.312 -179.769 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.66 -39.18 90.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.98 -178.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.496 ' O ' HD23 ' A' ' 84' ' ' LEU . 5.8 mt -70.01 -37.71 75.74 Favored 'General case' 0 C--O 1.221 -0.444 0 CA-C-O 120.829 0.347 . . . . 0.0 110.923 177.923 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.712 ' HG ' ' O ' ' A' ' 77' ' ' ILE . 81.6 mt -69.08 -33.35 73.39 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-O 120.819 0.343 . . . . 0.0 111.067 -179.743 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -75.06 -15.68 60.61 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.256 0.55 . . . . 0.0 110.561 172.837 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.484 ' HG ' HG12 ' A' ' 58' ' ' ILE . 3.4 tm? -85.31 -43.98 13.24 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 175.492 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.515 HD21 HD22 ' B' ' 84' ' ' LEU . 4.2 mm? -68.64 -9.18 48.36 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.275 -0.875 . . . . 0.0 112.024 -178.611 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 2.0 p -96.78 -32.1 12.3 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 120.876 0.369 . . . . 0.0 111.075 -179.331 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -66.0 -45.23 82.34 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.783 -179.467 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.489 HD12 HG13 ' A' ' 88' ' ' VAL . 1.3 pp -79.5 -17.73 53.48 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 112.997 0.74 . . . . 0.0 112.997 -172.396 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.489 HG13 HD12 ' A' ' 87' ' ' LEU . 16.9 m -91.5 -22.03 6.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 C-N-CA 120.19 -0.604 . . . . 0.0 110.592 176.623 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 67.8 t60 -70.3 -35.46 73.69 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 176.712 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.48 HG22 ' O ' ' A' ' 87' ' ' LEU . 19.0 m -64.86 -25.53 37.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.068 -177.589 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.62 ' HA ' ' HB3' ' A' ' 94' ' ' ALA . 2.8 mm? -63.7 -18.76 64.34 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.027 178.338 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 33.8 t -65.52 -23.55 66.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.74 178.272 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 6.7 t -127.68 11.55 6.74 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.665 0.745 . . . . 0.0 109.808 179.545 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.62 ' HB3' ' HA ' ' A' ' 91' ' ' LEU . . . -108.5 89.1 2.89 Favored 'General case' 0 N--CA 1.446 -0.646 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.275 178.585 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 11.5 t -75.54 87.11 2.65 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.691 -179.794 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.65 HD13 ' HB1' ' B' ' 47' ' ' ALA . 18.1 tt -66.82 149.17 11.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 115.183 -0.917 . . . . 0.0 111.764 -176.849 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -97.59 -106.91 2.5 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.509 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -124.52 117.67 24.88 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.82 0.343 . . . . 0.0 110.389 -179.418 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.491 HG11 ' HA ' ' B' ' 90' ' ' VAL . 6.1 m -102.41 142.09 17.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.049 -179.637 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 36.8 t -92.01 145.94 24.13 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.163 -178.384 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 5.7 p -82.35 -0.94 48.14 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.296 0.569 . . . . 0.0 110.346 176.606 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 48.8 t -94.67 107.19 19.08 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.28 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.966 -175.287 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 122.23 -2.41 10.57 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.681 177.298 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.436 ' O ' HD12 ' A' ' 108' ' ' LEU . 39.9 t -59.54 -35.98 62.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 120.465 0.174 . . . . 0.0 110.729 178.911 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' ASP . . . . . 0.407 ' HA ' HD12 ' A' ' 108' ' ' LEU . 9.6 t70 -54.51 -41.96 70.25 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 121.477 0.656 . . . . 0.0 109.688 179.181 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 6.0 m -72.07 -35.17 69.21 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 115.249 -0.887 . . . . 0.0 111.475 -177.56 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 59.8 m -64.46 -34.62 78.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.172 0.511 . . . . 0.0 110.039 177.153 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.658 ' O ' ' HG3' ' A' ' 112' ' ' GLN . 1.4 mt -61.72 -23.92 66.45 Favored 'General case' 0 C--O 1.221 -0.415 0 CA-C-N 115.604 -0.725 . . . . 0.0 111.025 177.681 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -67.63 -31.82 72.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.075 0.464 . . . . 0.0 110.536 178.099 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 26.3 t -82.12 -37.87 15.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.844 -176.08 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.551 HG12 ' O ' ' A' ' 108' ' ' LEU . 7.6 p -61.61 -31.0 49.43 Favored 'Isoleucine or valine' 0 C--O 1.234 0.277 0 CA-C-O 121.384 0.611 . . . . 0.0 110.057 -178.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 112' ' ' GLN . . . . . 0.658 ' HG3' ' O ' ' A' ' 108' ' ' LEU . 25.1 mt-30 -66.07 -20.7 66.25 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.825 -179.053 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -87.79 -32.92 18.83 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.445 -175.7 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 12.9 m -81.52 -43.52 18.66 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.806 -173.1 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.472 HG12 ' O ' ' A' ' 111' ' ' VAL . 7.3 p -108.18 -22.2 5.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 120.811 0.338 . . . . 0.0 111.283 -174.675 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -59.06 -28.42 63.82 Favored Glycine 0 CA--C 1.518 0.26 0 C-N-CA 121.279 -0.486 . . . . 0.0 113.002 -177.528 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -82.15 -5.22 58.3 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 111.792 0.293 . . . . 0.0 111.792 -178.593 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 89.3 m-85 -106.35 -28.7 10.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.945 0.402 . . . . 0.0 110.649 177.783 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.474 ' O ' ' HB3' ' B' ' 22' ' ' SER . 35.1 m -90.18 -4.24 10.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.979 177.653 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.393 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.445 179.27 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 N-CA-C 111.89 -0.484 . . . . 0.0 111.89 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' -4' ' ' SER . . . . . . . . . . . . . 43.3 m -96.95 105.39 17.52 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.799 0.333 . . . . 0.0 110.652 179.154 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' -3' ' ' GLY . . . . . . . . . . . . . . . 157.94 116.46 0.48 Allowed Glycine 0 N--CA 1.448 -0.544 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.191 178.68 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' -2' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -82.58 124.41 30.12 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.967 -0.383 . . . . 0.0 109.967 178.533 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' -1' ' ' SER . . . . . . . . . . . . . 5.6 p -81.08 104.3 11.48 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.346 -177.494 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 48.0 t -102.96 125.76 57.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.518 176.341 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 13.9 t -112.57 179.3 4.02 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 120.809 0.337 . . . . 0.0 110.666 -176.046 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 31.6 m -141.39 96.24 2.96 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.11 0.481 . . . . 0.0 110.174 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -88.52 77.72 1.79 Allowed Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.78 -0.724 . . . . 0.0 111.795 -179.438 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -122.86 -147.2 7.35 Favored Glycine 0 N--CA 1.445 -0.738 0 C-N-CA 120.646 -0.788 . . . . 0.0 112.841 -177.669 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 6' ' ' TYR . . . . . . . . . . . . . 9.9 p90 -154.49 -168.22 2.86 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.974 -0.38 . . . . 0.0 109.974 -177.763 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . 88.14 -93.93 1.94 Allowed Glycine 0 N--CA 1.447 -0.587 0 C-N-CA 120.627 -0.797 . . . . 0.0 112.363 179.602 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 22.1 t80 -74.12 -32.4 63.17 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.054 0.454 . . . . 0.0 110.435 -178.784 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -135.02 120.35 2.34 Favored Glycine 0 N--CA 1.449 -0.475 0 N-CA-C 111.409 -0.676 . . . . 0.0 111.409 178.873 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 77.1 p -133.47 -178.38 4.97 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.603 0.239 . . . . 0.0 110.736 -177.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 15.7 m -63.39 -49.03 75.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.147 0.499 . . . . 0.0 110.709 175.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -151.08 101.8 2.9 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.432 -179.407 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -107.07 177.57 4.81 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.671 178.333 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.91 175.37 8.15 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.462 177.897 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 15' ' ' GLY . . . . . 0.584 ' HA3' ' N ' ' B' ' 25' ' ' GLY . . . -142.28 -172.2 13.53 Favored Glycine 0 N--CA 1.444 -0.82 0 C-N-CA 120.037 -1.078 . . . . 0.0 113.354 -178.069 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . 68.02 86.34 0.13 Allowed 'General case' 0 C--O 1.233 0.23 0 C-N-CA 123.331 0.652 . . . . 0.0 111.398 -179.209 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 63.86 47.83 82.3 Favored Glycine 0 N--CA 1.452 -0.284 0 CA-C-N 115.572 -0.74 . . . . 0.0 112.92 -179.778 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 18' ' ' VAL . . . . . 0.516 ' CG2' ' HA ' ' B' ' 23' ' ' TYR . 0.3 OUTLIER -86.26 -60.87 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 N-CA-C 112.065 0.394 . . . . 0.0 112.065 -179.27 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 19' ' ' ALA . . . . . 0.401 ' H ' HG23 ' B' ' 18' ' ' VAL . . . -112.02 -175.38 2.67 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.643 -0.253 . . . . 0.0 110.387 -175.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -68.33 -53.19 25.84 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.053 -179.098 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -128.98 20.83 5.34 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.752 -0.737 . . . . 0.0 111.86 -176.709 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 22' ' ' SER . . . . . 0.474 ' HB3' ' O ' ' A' ' 119' ' ' VAL . 30.5 m -136.53 131.72 34.27 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.429 -0.385 . . . . 0.0 110.443 -179.779 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 23' ' ' TYR . . . . . 0.516 ' HA ' ' CG2' ' B' ' 18' ' ' VAL . 0.2 OUTLIER -150.04 120.05 7.19 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.278 -179.219 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -83.0 -19.87 36.17 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.101 179.667 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 25' ' ' GLY . . . . . 0.584 ' N ' ' HA3' ' B' ' 15' ' ' GLY . . . -67.69 -27.51 73.6 Favored Glycine 0 CA--C 1.508 -0.394 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.298 -177.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 26' ' ' ALA . . . . . 0.512 ' HB1' ' HB2' ' B' ' 78' ' ' GLN . . . -70.36 -14.04 62.4 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.175 0.512 . . . . 0.0 109.925 176.266 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 27' ' ' VAL . . . . . 0.48 HG12 ' HG2' ' A' ' 112' ' ' GLN . 2.6 t -96.24 -45.65 13.01 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.439 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.548 -178.625 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 31.8 m120 -63.05 -23.17 67.32 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-O 120.873 0.368 . . . . 0.0 111.486 -176.045 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 4.3 ptm180 -92.41 8.96 36.23 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.047 0.451 . . . . 0.0 110.871 -174.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 30' ' ' LEU . . . . . 0.612 HD11 ' HB3' ' B' ' 81' ' ' LEU . 95.2 mt -73.57 -25.89 60.57 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.94 179.309 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 13.6 t -84.89 20.64 1.78 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.278 0.561 . . . . 0.0 110.134 177.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 69.7 m -94.68 151.18 19.5 Favored 'General case' 0 N--CA 1.44 -0.968 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.763 174.775 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -56.98 -23.39 45.52 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.781 -178.35 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -57.99 -54.68 44.22 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.439 178.151 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 35' ' ' ALA . . . . . 0.648 ' O ' HG23 ' B' ' 39' ' ' VAL . . . -67.76 -53.95 23.19 Favored 'General case' 0 CA--C 1.514 -0.426 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.729 -179.754 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.19 -37.43 34.96 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.03 0.381 . . . . 0.0 112.03 -175.406 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 29.6 m -80.08 -12.22 59.7 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 112.377 0.51 . . . . 0.0 112.377 -178.716 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 34.8 mtm180 -98.81 -47.84 5.15 Favored 'General case' 0 CA--C 1.515 -0.396 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 177.078 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 39' ' ' VAL . . . . . 0.648 HG23 ' O ' ' B' ' 35' ' ' ALA . 24.4 t -60.09 -36.83 70.09 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 CA-C-N 114.535 -1.211 . . . . 0.0 111.084 -178.568 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 60.6 p -72.98 -10.36 59.72 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.096 0.474 . . . . 0.0 111.332 179.611 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 22.8 t -92.61 -14.35 28.33 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.791 0.805 . . . . 0.0 109.149 177.077 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 42' ' ' ASN . . . . . 0.455 ' OD1' HD11 ' B' ' 61' ' ' ILE . 11.4 m120 -96.1 -27.3 15.14 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.063 -0.971 . . . . 0.0 109.967 -174.65 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 43' ' ' ILE . . . . . 0.586 HG13 ' N ' ' B' ' 44' ' ' ALA . 5.8 pt -56.56 -40.61 69.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 115.408 -0.814 . . . . 0.0 111.427 -178.845 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 44' ' ' ALA . . . . . 0.586 ' N ' HG13 ' B' ' 43' ' ' ILE . . . -81.72 -8.61 59.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.05 0.452 . . . . 0.0 111.077 -176.612 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -94.98 -49.46 5.54 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.094 -179.584 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 57.8 mt -65.51 -34.8 72.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.324 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 47' ' ' ALA . . . . . 0.65 ' HB1' HD13 ' A' ' 96' ' ' ILE . . . -68.74 -6.53 27.02 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.676 179.211 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 30.6 t -103.1 -11.31 18.18 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.797 -0.183 . . . . 0.0 111.4 -177.047 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -140.55 -27.3 0.21 Allowed Glycine 0 C--N 1.33 0.222 0 C-N-CA 119.979 -1.105 . . . . 0.0 113.414 -176.75 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 86.26 -73.07 2.57 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 121.145 -0.55 . . . . 0.0 111.728 -178.369 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -118.04 -21.88 8.08 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.796 0.331 . . . . 0.0 111.167 -179.255 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 6.1 m -70.2 -20.41 63.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.228 0.537 . . . . 0.0 111.047 -176.408 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -90.27 -13.72 34.75 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.127 -176.684 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 54' ' ' LEU . . . . . 0.464 HD11 HG11 ' A' ' 88' ' ' VAL . 39.9 mt -56.11 -57.99 19.05 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-N 116.069 -0.514 . . . . 0.0 112.022 -176.011 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 55' ' ' PRO . . . . . 0.405 ' HD2' ' N ' ' B' ' 54' ' ' LEU . 19.7 Cg_endo -60.31 -26.82 83.57 Favored 'Trans proline' 0 C--N 1.353 0.781 0 C-N-CA 121.89 1.727 . . . . 0.0 112.669 -177.678 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 33.7 m -86.69 -23.95 25.39 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.062 0.458 . . . . 0.0 111.112 -178.372 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 42.8 t -92.99 -42.17 13.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.868 -177.267 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 58' ' ' ILE . . . . . 0.452 HG12 ' HG ' ' B' ' 83' ' ' LEU . 63.7 mt -61.08 -38.9 80.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.802 0.334 . . . . 0.0 110.522 179.503 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 5.6 t -65.47 -36.99 85.53 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.219 -0.446 . . . . 0.0 109.823 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 -62.82 -51.08 68.44 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.807 177.543 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 61' ' ' ILE . . . . . 0.455 HD11 ' OD1' ' B' ' 42' ' ' ASN . 46.7 mt -65.64 -47.3 86.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 115.648 -0.705 . . . . 0.0 111.215 -178.065 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 62' ' ' TYR . . . . . 0.476 ' O ' HG23 ' B' ' 66' ' ' VAL . 54.6 t80 -56.91 -47.96 79.34 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.787 0.327 . . . . 0.0 110.433 -178.66 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 23.0 m -64.02 -25.15 67.99 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.031 -0.532 . . . . 0.0 111.052 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -78.14 -43.37 13.66 Favored Glycine 0 N--CA 1.449 -0.473 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 176.203 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 65' ' ' VAL . . . . . 0.717 HG12 HG11 ' B' ' 70' ' ' VAL . 76.0 t -64.56 -46.86 91.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 115.285 -0.457 . . . . 0.0 111.084 -179.442 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 66' ' ' VAL . . . . . 0.476 HG23 ' O ' ' B' ' 62' ' ' TYR . 80.3 t -62.09 -40.0 85.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.949 -179.826 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -69.03 -13.87 62.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.678 -179.225 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 56.9 m -73.05 -26.24 61.22 Favored 'General case' 0 N--CA 1.441 -0.881 0 CA-C-O 120.88 0.371 . . . . 0.0 110.94 179.288 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 104.1 39.24 2.51 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.659 -0.782 . . . . 0.0 111.855 -176.844 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.717 HG11 HG12 ' B' ' 65' ' ' VAL . 13.6 p -97.08 163.34 2.45 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 N-CA-C 110.284 -0.265 . . . . 0.0 110.284 179.411 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 71' ' ' SER . . . . . 0.413 ' N ' HG22 ' B' ' 70' ' ' VAL . 1.1 m -66.47 153.09 43.78 Favored 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 110.146 -0.316 . . . . 0.0 110.146 175.049 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 15.5 m -56.34 -56.36 22.08 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 112.718 0.636 . . . . 0.0 112.718 -173.145 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 73' ' ' ASN . . . . . 0.412 ' HB3' ' OH ' ' B' ' 23' ' ' TYR . 0.2 OUTLIER -79.44 -22.85 43.64 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.105 0.479 . . . . 0.0 110.243 -176.189 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 74' ' ' GLU . . . . . 0.471 ' HA ' ' CE1' ' B' ' 23' ' ' TYR . 32.4 tt0 -70.84 -29.28 65.37 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.917 178.861 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 75' ' ' ALA . . . . . 0.433 ' HB2' HG13 ' B' ' 70' ' ' VAL . . . -61.1 -39.82 91.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.324 -0.853 . . . . 0.0 111.11 176.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 76' ' ' LEU . . . . . 0.549 HD23 ' HB3' ' B' ' 118' ' ' TYR . 2.7 tm? -56.28 -47.32 78.85 Favored 'General case' 0 CA--C 1.518 -0.257 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.977 179.594 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 77' ' ' ILE . . . . . 0.717 ' O ' ' HG ' ' B' ' 81' ' ' LEU . 41.5 mm -62.04 -57.74 10.7 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-N 115.284 -0.871 . . . . 0.0 110.953 -177.835 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 78' ' ' GLN . . . . . 0.512 ' HB2' ' HB1' ' B' ' 26' ' ' ALA . 36.3 tt0 -57.13 -46.48 82.63 Favored 'General case' 0 C--O 1.234 0.263 0 O-C-N 122.997 0.186 . . . . 0.0 111.282 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -59.68 -39.05 83.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.893 0.378 . . . . 0.0 110.878 -179.034 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 80' ' ' LEU . . . . . 0.696 ' O ' ' HG ' ' B' ' 84' ' ' LEU . 7.1 mt -72.11 -43.09 65.29 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.141 178.1 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 81' ' ' LEU . . . . . 0.717 ' HG ' ' O ' ' B' ' 77' ' ' ILE . 68.3 mt -58.53 -42.52 87.95 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.909 0.385 . . . . 0.0 111.007 -179.597 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 56.9 mt-10 -64.91 -33.57 76.34 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.477 176.279 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 83' ' ' LEU . . . . . 0.452 ' HG ' HG12 ' B' ' 58' ' ' ILE . 3.4 tm? -69.61 -39.62 77.11 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.608 -0.516 . . . . 0.0 109.608 177.883 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 84' ' ' LEU . . . . . 0.696 ' HG ' ' O ' ' B' ' 80' ' ' LEU . 12.8 mt -65.09 -17.64 64.63 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.202 -177.852 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 33.8 m -91.98 -32.16 15.34 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.001 0.429 . . . . 0.0 110.951 -173.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 86' ' ' ALA . . . . . 0.415 ' O ' HG13 ' B' ' 90' ' ' VAL . . . -67.41 -41.77 84.35 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.027 -176.661 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 87' ' ' LEU . . . . . 0.479 HD12 ' N ' ' B' ' 88' ' ' VAL . 1.3 pp -82.71 -20.24 36.47 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 112.934 0.716 . . . . 0.0 112.934 -172.23 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 88' ' ' VAL . . . . . 0.537 HG11 HD11 ' A' ' 54' ' ' LEU . 15.9 m -89.06 -22.49 6.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 C-N-CA 120.175 -0.61 . . . . 0.0 110.758 177.25 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 89' ' ' HIS . . . . . . . . . . . . . 60.7 t60 -69.18 -37.96 78.43 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.049 177.016 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 90' ' ' VAL . . . . . 0.491 ' HA ' HG11 ' A' ' 99' ' ' VAL . 25.7 m -66.57 -28.36 43.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 N-CA-C 112.172 0.434 . . . . 0.0 112.172 -174.485 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 91' ' ' LEU . . . . . 0.596 ' HA ' ' HB3' ' B' ' 94' ' ' ALA . 2.3 mm? -62.59 -21.76 65.86 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-O 120.802 0.334 . . . . 0.0 111.082 -179.737 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 13.9 t -63.68 -24.17 67.67 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.164 -178.642 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 93' ' ' SER . . . . . 0.444 ' HB3' HG12 ' A' ' 99' ' ' VAL . 13.0 t -125.93 12.47 7.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.382 0.611 . . . . 0.0 110.043 178.311 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 94' ' ' ALA . . . . . 0.596 ' HB3' ' HA ' ' B' ' 91' ' ' LEU . . . -103.11 98.16 8.14 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.137 177.09 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 23.1 t -75.42 92.05 2.8 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.127 0.489 . . . . 0.0 109.708 179.02 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 96' ' ' ILE . . . . . 0.65 HD13 ' HB1' ' A' ' 47' ' ' ALA . 20.4 tt -73.47 145.62 11.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.968 -178.581 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 97' ' ' GLY . . . . . . . . . . . . . . . -92.72 -113.39 2.12 Favored Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.858 -0.687 . . . . 0.0 112.098 177.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 98' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -119.98 117.02 26.95 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.956 0.408 . . . . 0.0 110.593 -178.393 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 99' ' ' VAL . . . . . 0.519 ' CG1' HD11 ' B' ' 96' ' ' ILE . 11.6 m -99.45 151.9 4.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.647 178.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 100' ' ' SER . . . . . . . . . . . . . 22.3 t -120.17 161.28 21.32 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.155 -176.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 11.9 p -81.63 -0.06 40.78 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.066 0.46 . . . . 0.0 110.943 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 48.6 t -91.09 111.02 23.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.25 -175.749 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . 121.16 -12.21 9.78 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.914 173.634 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 104' ' ' VAL . . . . . . . . . . . . . 18.2 t -58.95 -33.93 51.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 N-CA-C 110.18 -0.304 . . . . 0.0 110.18 179.283 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -53.12 -43.23 66.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.267 178.086 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 25.8 m -80.02 -35.61 37.06 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.169 -178.449 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 31.3 m -59.92 -34.82 73.72 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 121.333 0.587 . . . . 0.0 110.337 177.446 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 108' ' ' LEU . . . . . 0.568 ' O ' ' HG3' ' B' ' 112' ' ' GLN . 3.1 mt -62.04 -27.51 68.94 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.523 -0.762 . . . . 0.0 111.354 177.459 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 109' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -68.55 -25.71 65.05 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.075 0.464 . . . . 0.0 110.135 178.501 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 110' ' ' VAL . . . . . . . . . . . . . 34.4 t -84.86 -39.37 14.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.952 -177.097 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 111' ' ' VAL . . . . . 0.494 HG12 ' O ' ' B' ' 108' ' ' LEU . 7.8 p -62.78 -28.73 45.49 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.299 0 CA-C-O 121.31 0.576 . . . . 0.0 110.439 -178.836 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 112' ' ' GLN . . . . . 0.568 ' HG3' ' O ' ' B' ' 108' ' ' LEU . 26.3 mt-30 -68.76 -30.45 69.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.852 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 113' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -72.64 -39.0 67.53 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.365 -0.834 . . . . 0.0 110.447 -175.159 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 5.9 m -74.08 -41.92 60.94 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.303 -0.862 . . . . 0.0 112.324 -169.751 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 115' ' ' VAL . . . . . 0.42 HG11 ' CD2' ' A' ' 81' ' ' LEU . 12.6 p -113.1 -17.88 8.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-O 120.807 0.337 . . . . 0.0 111.823 -173.461 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 116' ' ' GLY . . . . . . . . . . . . . . . -56.29 -31.4 59.44 Favored Glycine 0 C--O 1.226 -0.381 0 C-N-CA 121.167 -0.539 . . . . 0.0 113.034 -178.479 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -81.07 -0.65 40.82 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 111.78 0.289 . . . . 0.0 111.78 -176.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 118' ' ' TYR . . . . . 0.549 ' HB3' HD23 ' B' ' 76' ' ' LEU . 64.7 m-85 -112.11 -23.16 10.61 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.1 0.476 . . . . 0.0 110.5 178.582 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 119' ' ' VAL . . . . . . . . . . . . . 34.4 m -95.52 -5.05 10.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.347 175.457 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 120' ' ' GLY . . . . . 0.444 ' HA3' ' HB2' ' A' ' 24' ' ' ALA . . . . . . . . 0 C--O 1.248 0.989 0 CA-C-O 118.564 -1.131 . . . . 0.0 112.243 179.186 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.798 0 N-CA-C 112.032 -0.427 . . . . 0.0 112.032 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' -4' ' ' SER . . . . . 0.434 ' HB2' ' HA2' ' B' ' -3' ' ' GLY . 15.2 m -102.18 132.98 47.76 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 110.113 -0.329 . . . . 0.0 110.113 178.324 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . -79.63 -8.77 87.47 Favored Glycine 0 C--N 1.331 0.26 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.879 -177.18 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' -2' ' ' ASN . . . . . . . . . . . . . 17.7 m120 -60.59 127.4 31.52 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 178.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' -1' ' ' SER . . . . . 0.511 ' CB ' ' HA ' ' B' ' -1' ' ' SER . 27.8 m -105.53 139.77 39.64 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.261 -0.427 . . . . 0.0 112.073 -170.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 46.2 t -90.23 -43.41 14.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.055 -0.52 . . . . 0.0 109.783 176.852 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 50.9 p 56.99 -85.17 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 114.007 1.114 . . . . 0.0 114.007 176.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.4 m -79.08 151.31 31.5 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.744 0.646 . . . . 0.0 112.744 -168.215 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.438 ' C ' ' H ' ' A' ' 6' ' ' TYR . . . 149.71 176.77 23.17 Favored Glycine 0 N--CA 1.448 -0.549 0 CA-C-N 115.242 -0.89 . . . . 0.0 111.096 177.734 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -76.12 26.66 1.48 Allowed Glycine 0 C--N 1.332 0.318 0 C-N-CA 121.092 -0.575 . . . . 0.0 112.494 177.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.706 ' HA ' HG22 ' A' ' 10' ' ' THR . 4.0 p90 -148.94 8.55 0.75 Allowed 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 122.806 0.443 . . . . 0.0 110.53 -178.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -105.22 115.36 4.9 Favored Glycine 0 N--CA 1.445 -0.714 0 C-N-CA 120.534 -0.841 . . . . 0.0 112.314 -174.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 68.4 m-85 59.06 20.69 8.57 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 123.173 0.589 . . . . 0.0 111.407 -179.46 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 153.28 115.05 0.57 Allowed Glycine 0 N--CA 1.446 -0.661 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 -177.633 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.706 HG22 ' HA ' ' A' ' 6' ' ' TYR . 12.9 p -89.07 -84.43 0.21 Allowed 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 120.8 0.333 . . . . 0.0 111.852 -176.745 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 16.6 m -71.8 -51.39 22.81 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.037 -0.528 . . . . 0.0 111.593 -176.397 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -142.26 110.06 5.82 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.822 -175.681 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -73.19 102.14 3.54 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.273 175.241 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -79.38 -56.63 4.19 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.145 -178.483 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.449 ' O ' ' HA3' ' A' ' 25' ' ' GLY . . . 148.3 63.18 0.01 OUTLIER Glycine 0 N--CA 1.445 -0.7 0 C-N-CA 120.21 -0.995 . . . . 0.0 112.989 178.712 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.462 ' H ' HG13 ' A' ' 18' ' ' VAL . . . -156.36 96.58 1.69 Allowed 'General case' 0 C--N 1.313 -1.009 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 178.2 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 62.5 40.78 99.53 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.356 -0.926 . . . . 0.0 111.731 -170.516 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.462 HG13 ' H ' ' A' ' 16' ' ' ALA . 2.4 m -84.96 -24.18 7.15 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.224 0 CA-C-O 121.244 0.545 . . . . 0.0 111.264 -178.558 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.491 ' HB3' ' HB2' ' A' ' 22' ' ' SER . . . -144.08 178.62 7.74 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.673 178.165 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -67.27 -44.33 79.62 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.329 -178.368 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -136.66 20.76 3.45 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.878 -0.677 . . . . 0.0 111.974 -179.02 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.491 ' HB2' ' HB3' ' A' ' 19' ' ' ALA . 34.2 m -130.41 122.65 28.18 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.803 0.335 . . . . 0.0 110.893 -179.757 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.598 ' CE1' ' HA ' ' A' ' 74' ' ' GLU . 0.0 OUTLIER -152.14 121.94 7.0 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 179.443 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -81.09 -21.2 40.15 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.651 -176.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.449 ' HA3' ' O ' ' A' ' 15' ' ' GLY . . . -62.13 -32.52 82.72 Favored Glycine 0 CA--C 1.511 -0.194 0 C-N-CA 120.996 -0.621 . . . . 0.0 112.205 179.716 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.502 ' HB1' ' HB2' ' A' ' 78' ' ' GLN . . . -69.87 -11.98 61.28 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.101 0.477 . . . . 0.0 110.477 178.46 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.517 HG12 ' HG2' ' B' ' 112' ' ' GLN . 3.4 t -96.76 -42.4 11.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.537 -178.418 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 26.0 m120 -64.96 -33.99 77.34 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 121.039 0.447 . . . . 0.0 110.723 -178.226 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 16.8 ttp180 -59.47 -18.06 36.64 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 115.664 -0.698 . . . . 0.0 112.26 179.587 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.627 HD11 ' HB3' ' A' ' 81' ' ' LEU . 64.1 mt -68.24 -27.41 66.33 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.566 -177.266 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 32.4 t -77.95 -2.9 39.18 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.994 -177.385 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 66.4 m -85.19 155.08 21.58 Favored 'General case' 0 N--CA 1.44 -0.933 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 174.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.79 -16.18 57.01 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.737 -175.847 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -57.43 -55.33 36.15 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.756 179.462 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.551 ' O ' HG23 ' A' ' 39' ' ' VAL . . . -60.79 -47.79 84.75 Favored 'General case' 0 CA--C 1.515 -0.39 0 CA-C-O 120.9 0.381 . . . . 0.0 110.059 176.841 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -56.63 -17.21 7.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.863 -178.425 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 45.1 m -94.73 -16.52 22.99 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 112.26 0.467 . . . . 0.0 112.26 179.395 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 62.2 mtp85 -103.01 -42.89 5.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.757 0.789 . . . . 0.0 109.443 178.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.551 HG23 ' O ' ' A' ' 35' ' ' ALA . 40.7 t -61.66 -40.77 87.86 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-N 114.772 -1.104 . . . . 0.0 111.04 -179.648 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 84.0 p -75.32 -8.27 56.21 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.956 0.408 . . . . 0.0 111.419 -178.132 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 33.6 t -88.76 -16.95 30.89 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.271 0.558 . . . . 0.0 109.836 179.228 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 46.6 m-80 -116.28 -1.68 12.3 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.444 -173.718 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.46 HG13 ' N ' ' A' ' 44' ' ' ALA . 4.0 pt -58.76 -41.73 83.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.055 177.455 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.46 ' N ' HG13 ' A' ' 43' ' ' ILE . . . -77.46 -16.05 58.98 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.939 0.399 . . . . 0.0 110.726 -176.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -78.14 -51.07 10.82 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.244 -179.531 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.535 HG21 ' HB3' ' A' ' 87' ' ' LEU . 45.3 mt -68.26 -31.01 49.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.302 179.728 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.688 ' HB1' HD13 ' B' ' 96' ' ' ILE . . . -62.91 -28.17 69.87 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.008 178.544 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 36.3 t -95.58 -51.06 4.69 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.133 -178.335 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -80.09 -24.56 59.36 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.532 -0.842 . . . . 0.0 113.181 -175.265 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 72.15 -78.99 0.65 Allowed Glycine 0 N--CA 1.449 -0.466 0 N-CA-C 111.765 -0.534 . . . . 0.0 111.765 -179.06 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -116.22 -22.48 8.86 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 115.151 -0.524 . . . . 0.0 110.543 179.772 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 31.0 t -74.45 -14.42 60.84 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.253 0.549 . . . . 0.0 110.525 -178.18 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -89.24 -17.8 28.31 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.77 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.469 HD11 HG11 ' B' ' 88' ' ' VAL . 40.4 mt -54.4 -57.25 19.44 Favored Pre-proline 0 C--N 1.326 -0.438 0 CA-C-N 116.104 -0.498 . . . . 0.0 112.04 -175.779 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.449 ' HD2' ' N ' ' A' ' 54' ' ' LEU . 18.4 Cg_endo -60.88 -22.34 73.71 Favored 'Trans proline' 0 C--N 1.351 0.679 0 C-N-CA 122.221 1.947 . . . . 0.0 112.481 -176.807 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 15.2 m -88.02 -42.25 12.55 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.986 0.422 . . . . 0.0 110.502 -179.695 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 74.7 t -76.38 -41.41 35.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.322 -174.187 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.534 HG12 ' HG ' ' A' ' 83' ' ' LEU . 55.6 mt -57.63 -40.71 76.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.294 176.753 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 4.4 t -70.35 -39.4 74.69 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.14 -178.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 88.3 m-20 -58.64 -44.49 90.06 Favored 'General case' 0 CA--C 1.517 -0.309 0 CA-C-O 121.337 0.589 . . . . 0.0 110.828 178.464 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.493 HG21 ' HB2' ' A' ' 82' ' ' GLU . 62.4 mt -76.08 -47.53 31.33 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.108 -179.256 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.459 ' O ' HG23 ' A' ' 66' ' ' VAL . 53.3 t80 -52.75 -55.34 23.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.973 -178.669 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 8.1 t -63.47 -29.73 70.96 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.515 -177.202 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -69.82 -34.84 72.24 Favored Glycine 0 N--CA 1.448 -0.511 0 C-N-CA 120.923 -0.656 . . . . 0.0 112.176 -178.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.539 HG12 HG11 ' A' ' 70' ' ' VAL . 39.9 t -81.95 -40.45 17.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 120.771 0.32 . . . . 0.0 110.73 179.83 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.459 HG23 ' O ' ' A' ' 62' ' ' TYR . 98.4 t -59.18 -36.6 63.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.86 179.549 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.69 -16.61 50.45 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.849 179.418 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 20.1 t -78.84 -22.2 46.48 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.839 0.352 . . . . 0.0 110.612 179.772 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 106.14 30.93 4.27 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.559 -0.829 . . . . 0.0 112.918 178.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.591 HG13 ' HB2' ' A' ' 75' ' ' ALA . 13.9 p -95.35 158.15 3.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 177.586 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 48.0 t -65.08 144.94 56.92 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.979 -0.378 . . . . 0.0 109.979 175.569 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 4.2 p -59.4 -41.74 90.13 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 112.173 0.434 . . . . 0.0 112.173 -176.216 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -69.57 -35.6 75.52 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.84 0.352 . . . . 0.0 110.352 -177.357 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.598 ' HA ' ' CE1' ' A' ' 23' ' ' TYR . 31.4 tt0 -77.89 -32.57 51.92 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.18 0.514 . . . . 0.0 109.963 178.859 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.591 ' HB2' HG13 ' A' ' 70' ' ' VAL . . . -61.65 -39.15 90.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.544 174.629 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.546 HD23 ' HB3' ' A' ' 118' ' ' TYR . 2.7 tm? -51.21 -52.67 42.25 Favored 'General case' 0 CA--C 1.517 -0.297 0 O-C-N 123.747 0.654 . . . . 0.0 109.927 178.129 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.745 ' O ' ' HG ' ' A' ' 81' ' ' LEU . 37.8 mm -58.9 -57.41 11.37 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.194 -177.786 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' GLN . . . . . 0.502 ' HB2' ' HB1' ' A' ' 26' ' ' ALA . 10.3 tt0 -56.61 -46.14 81.08 Favored 'General case' 0 N--CA 1.465 0.286 0 C-N-CA 121.179 -0.208 . . . . 0.0 111.373 179.82 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -59.09 -39.43 82.18 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.834 0.35 . . . . 0.0 110.814 179.732 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.477 ' O ' HD23 ' A' ' 84' ' ' LEU . 3.4 mm? -69.59 -37.12 76.79 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.049 177.005 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.745 ' HG ' ' O ' ' A' ' 77' ' ' ILE . 63.4 mt -68.45 -37.93 80.65 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 120.74 0.305 . . . . 0.0 110.84 -179.457 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.493 ' HB2' HG21 ' A' ' 61' ' ' ILE . 46.7 mt-10 -71.51 -21.0 61.98 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.355 0.598 . . . . 0.0 110.595 175.147 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.534 ' HG ' HG12 ' A' ' 58' ' ' ILE . 3.4 tm? -79.5 -45.87 18.49 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.629 176.581 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.504 HD22 HD12 ' A' ' 83' ' ' LEU . 4.5 mm? -74.8 0.76 14.35 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.791 -0.64 . . . . 0.0 112.116 -176.812 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.9 p -101.78 -30.6 11.2 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.984 0.421 . . . . 0.0 110.741 177.757 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.428 ' HB2' HG13 ' A' ' 39' ' ' VAL . . . -66.33 -47.91 71.97 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.291 0.567 . . . . 0.0 110.828 179.762 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.535 ' HB3' HG21 ' A' ' 46' ' ' ILE . 1.1 pp -77.21 -17.16 58.71 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 113.165 0.802 . . . . 0.0 113.165 -171.835 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.461 HG11 HD11 ' B' ' 54' ' ' LEU . 16.2 m -91.4 -19.91 6.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 C-N-CA 120.242 -0.583 . . . . 0.0 110.541 177.099 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 59.5 t60 -73.3 -37.2 66.3 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 176.824 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.414 ' HB ' ' CD1' ' B' ' 96' ' ' ILE . 26.8 m -66.28 -25.94 36.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.71 -175.451 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.642 ' HA ' ' HB3' ' A' ' 94' ' ' ALA . 2.9 mm? -66.65 -20.43 65.99 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.651 0.263 . . . . 0.0 111.061 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 32.3 t -66.63 -17.96 65.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.763 0.316 . . . . 0.0 110.844 -179.652 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.9 t -131.09 17.08 5.06 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.621 0.724 . . . . 0.0 109.674 177.156 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.642 ' HB3' ' HA ' ' A' ' 91' ' ' LEU . . . -107.45 96.53 6.47 Favored 'General case' 0 N--CA 1.446 -0.647 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.277 178.222 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 31.4 t -72.18 87.21 1.09 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.804 179.592 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.703 HD13 ' HB1' ' B' ' 47' ' ' ALA . 20.8 tt -71.04 148.76 10.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.796 -178.193 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -101.08 -114.49 3.77 Favored Glycine 0 C--N 1.334 0.417 0 CA-C-N 116.088 -0.505 . . . . 0.0 112.425 179.496 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 10.1 t30 -114.54 111.83 21.99 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.78 0.324 . . . . 0.0 110.516 -179.144 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.549 ' CG1' HD11 ' A' ' 96' ' ' ILE . 7.3 m -95.74 137.72 23.11 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-O 121.216 0.532 . . . . 0.0 111.21 -179.701 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.445 ' HB2' HG12 ' A' ' 102' ' ' VAL . 21.8 p -87.7 138.78 31.17 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.494 -0.775 . . . . 0.0 110.89 -177.701 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 5.5 p -86.62 32.11 0.66 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.185 0.517 . . . . 0.0 110.542 178.666 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.445 HG12 ' HB2' ' A' ' 100' ' ' SER . 10.3 p -139.93 142.48 32.0 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.556 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 -178.562 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 99.58 -10.06 60.84 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.887 -0.673 . . . . 0.0 111.687 -177.436 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.407 ' O ' HD12 ' A' ' 108' ' ' LEU . 25.8 t -59.78 -32.18 48.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.553 0.216 . . . . 0.0 110.71 177.525 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -52.03 -44.81 64.35 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 121.744 0.783 . . . . 0.0 110.1 177.47 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 9.5 m -71.04 -36.65 72.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.159 -0.928 . . . . 0.0 111.066 -179.223 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 26.0 m -63.83 -37.18 86.43 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.934 0.397 . . . . 0.0 110.95 179.787 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.678 ' O ' HG12 ' A' ' 111' ' ' VAL . 1.6 mt -61.12 -34.1 74.44 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.471 179.847 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 11.0 m-80 -61.21 -27.64 68.57 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.979 0.419 . . . . 0.0 111.221 176.02 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 30.1 t -81.78 -37.19 14.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.746 -178.166 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.678 HG12 ' O ' ' A' ' 108' ' ' LEU . 6.3 p -65.62 -30.14 49.21 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.234 0 CA-C-O 121.377 0.608 . . . . 0.0 109.897 -179.761 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 112' ' ' GLN . . . . . 0.658 ' HG3' ' O ' ' A' ' 108' ' ' LEU . 21.7 mt-30 -67.33 -25.44 66.01 Favored 'General case' 0 CA--C 1.521 -0.149 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.034 178.656 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -79.37 -33.16 43.09 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.243 -0.89 . . . . 0.0 110.418 -178.178 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 5.2 m -78.76 -39.29 36.51 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.341 -0.845 . . . . 0.0 112.21 -171.086 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 14.8 p -123.64 -14.21 5.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 120.961 0.41 . . . . 0.0 111.585 -173.305 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -59.41 -28.44 64.74 Favored Glycine 0 C--O 1.229 -0.203 0 C-N-CA 121.123 -0.56 . . . . 0.0 112.833 -177.811 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -86.44 1.65 50.59 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.794 0.33 . . . . 0.0 111.528 -179.241 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' TYR . . . . . 0.546 ' HB3' HD23 ' A' ' 76' ' ' LEU . 66.3 m-85 -111.5 -27.28 8.66 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.956 0.407 . . . . 0.0 110.334 178.101 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.478 ' O ' ' HB3' ' B' ' 22' ' ' SER . 35.8 m -89.28 -2.5 9.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 121.368 0.604 . . . . 0.0 110.257 173.272 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.494 0 CA-C-N 115.624 -0.716 . . . . 0.0 112.115 178.458 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.562 0 N-CA-C 112.08 -0.408 . . . . 0.0 112.08 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' -4' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -88.4 91.55 8.84 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 120.869 0.366 . . . . 0.0 110.917 179.17 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' -3' ' ' GLY . . . . . 0.434 ' HA2' ' HB2' ' A' ' -4' ' ' SER . . . 178.31 173.62 43.86 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.527 -0.844 . . . . 0.0 113.04 -179.502 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' -2' ' ' ASN . . . . . . . . . . . . . 46.6 t-20 -150.06 134.24 17.14 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 108.339 -0.986 . . . . 0.0 108.339 179.417 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' -1' ' ' SER . . . . . 0.511 ' HA ' ' CB ' ' A' ' -1' ' ' SER . 50.5 m -77.13 88.08 3.61 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.403 0.621 . . . . 0.0 111.533 -175.073 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 48.9 t -100.73 -52.49 8.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.468 -0.787 . . . . 0.0 109.821 177.09 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 49.6 p 64.2 -55.36 0.25 Allowed 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 125.088 1.355 . . . . 0.0 113.445 178.431 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 18.1 m -81.32 114.37 20.05 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.833 0.349 . . . . 0.0 110.873 -176.045 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -147.85 -179.71 24.07 Favored Glycine 0 N--CA 1.448 -0.528 0 N-CA-C 111.339 -0.704 . . . . 0.0 111.339 179.758 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -76.48 4.66 49.13 Favored Glycine 0 CA--C 1.519 0.286 0 C-N-CA 120.883 -0.675 . . . . 0.0 113.303 -177.226 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 6' ' ' TYR . . . . . . . . . . . . . 35.2 p90 -126.91 10.78 7.06 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.86 0.362 . . . . 0.0 110.825 -179.607 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -147.11 152.16 24.35 Favored Glycine 0 N--CA 1.448 -0.553 0 N-CA-C 111.259 -0.736 . . . . 0.0 111.259 -178.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 8' ' ' TYR . . . . . 0.413 ' HB3' ' O ' ' B' ' 18' ' ' VAL . 96.9 m-85 65.64 -67.81 0.13 Allowed 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 123.339 0.656 . . . . 0.0 111.372 -175.387 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -125.43 81.35 0.36 Allowed Glycine 0 N--CA 1.447 -0.629 0 N-CA-C 111.697 -0.561 . . . . 0.0 111.697 178.592 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 18.2 p -63.65 -56.37 16.28 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.267 0.556 . . . . 0.0 111.094 -179.651 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 13.8 m -138.66 -70.31 0.42 Allowed 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.606 -0.724 . . . . 0.0 109.956 178.082 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -125.52 125.88 43.95 Favored 'General case' 0 N--CA 1.441 -0.901 0 CA-C-N 115.365 -0.834 . . . . 0.0 109.929 -178.893 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -144.78 140.57 28.56 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.129 -179.054 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -94.62 -32.35 13.45 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.992 -178.199 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 15' ' ' GLY . . . . . 0.517 ' HA3' ' N ' ' B' ' 25' ' ' GLY . . . 170.57 -157.62 28.87 Favored Glycine 0 N--CA 1.445 -0.711 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.088 179.292 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 16' ' ' ALA . . . . . 0.467 ' HA ' ' OE2' ' B' ' 74' ' ' GLU . . . 57.3 74.9 0.4 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.222 0.534 . . . . 0.0 111.47 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 84.92 42.68 7.06 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 120.897 -0.668 . . . . 0.0 112.83 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 18' ' ' VAL . . . . . 0.565 ' CG2' ' HA ' ' B' ' 23' ' ' TYR . 2.5 m -81.74 -30.57 10.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 121.049 0.452 . . . . 0.0 111.072 175.868 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -140.97 177.24 8.19 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.817 -0.628 . . . . 0.0 109.87 179.736 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.03 -54.23 41.4 Favored 'General case' 0 C--N 1.323 -0.567 0 O-C-N 123.438 0.461 . . . . 0.0 111.16 -179.743 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -128.82 27.83 4.28 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.957 -0.64 . . . . 0.0 111.997 -176.194 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 22' ' ' SER . . . . . 0.478 ' HB3' ' O ' ' A' ' 119' ' ' VAL . 15.4 m -143.43 134.04 25.01 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 115.346 -0.427 . . . . 0.0 110.112 178.612 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 23' ' ' TYR . . . . . 0.565 ' HA ' ' CG2' ' B' ' 18' ' ' VAL . 0.3 OUTLIER -149.22 126.43 11.4 Favored 'General case' 0 N--CA 1.446 -0.646 0 CA-C-O 120.844 0.354 . . . . 0.0 110.595 -176.918 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 24' ' ' ALA . . . . . 0.459 ' HA ' HG23 ' B' ' 27' ' ' VAL . . . -86.65 -16.21 37.32 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.084 179.16 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 25' ' ' GLY . . . . . 0.517 ' N ' ' HA3' ' B' ' 15' ' ' GLY . . . -66.19 -24.3 71.87 Favored Glycine 0 C--N 1.33 0.197 0 C-N-CA 120.974 -0.631 . . . . 0.0 112.414 -178.686 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 26' ' ' ALA . . . . . 0.517 ' HB1' ' HB2' ' B' ' 78' ' ' GLN . . . -76.7 -18.7 58.37 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.167 0.508 . . . . 0.0 110.473 177.185 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 27' ' ' VAL . . . . . 0.537 HG12 ' HG2' ' A' ' 112' ' ' GLN . 1.9 t -93.03 -45.79 13.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.575 -0.738 . . . . 0.0 110.602 -176.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 58.3 m-20 -63.22 -25.15 68.2 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.542 -0.753 . . . . 0.0 111.482 -173.199 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 29' ' ' ARG . . . . . 0.413 ' HD2' ' OE1' ' B' ' 78' ' ' GLN . 17.7 ptp180 -84.17 0.25 49.37 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.417 -176.474 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 30' ' ' LEU . . . . . 0.543 HD11 ' HB3' ' B' ' 81' ' ' LEU . 85.3 mt -75.64 -21.35 57.79 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.096 0.474 . . . . 0.0 110.809 -179.446 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 38.9 t -80.71 12.82 2.91 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.301 0.572 . . . . 0.0 110.358 179.6 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 60.4 m -100.79 151.05 22.15 Favored 'General case' 0 N--CA 1.437 -1.118 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.144 175.875 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.18 -19.22 62.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.733 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -52.57 -56.92 11.9 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.489 176.231 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 35' ' ' ALA . . . . . 0.704 ' O ' HG23 ' B' ' 39' ' ' VAL . . . -61.03 -53.33 58.58 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.187 176.732 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -49.79 -31.99 12.93 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.886 -176.286 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 55.9 m -72.9 -28.94 62.77 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.108 -0.497 . . . . 0.0 112.025 -179.215 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 49.3 mtp85 -95.01 -40.66 9.54 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.598 0.714 . . . . 0.0 109.356 -176.569 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 39' ' ' VAL . . . . . 0.704 HG23 ' O ' ' B' ' 35' ' ' ALA . 15.7 t -63.68 -42.14 95.02 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.777 0 CA-C-N 114.841 -1.072 . . . . 0.0 110.749 -179.54 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 40' ' ' SER . . . . . 0.522 ' O ' HG12 ' B' ' 43' ' ' ILE . 90.4 p -72.58 -12.86 61.23 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-O 120.944 0.402 . . . . 0.0 111.039 -179.074 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 35.1 t -87.63 -11.37 48.69 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.989 0.423 . . . . 0.0 110.308 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 39.0 m-80 -116.66 -4.9 11.64 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.224 -175.073 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 43' ' ' ILE . . . . . 0.532 HG13 ' N ' ' B' ' 44' ' ' ALA . 6.4 pt -59.01 -41.54 83.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 121.019 0.438 . . . . 0.0 110.934 177.129 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 44' ' ' ALA . . . . . 0.532 ' N ' HG13 ' B' ' 43' ' ' ILE . . . -80.54 -7.27 59.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.108 0.48 . . . . 0.0 110.821 -176.678 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -86.3 -49.53 7.61 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.922 178.301 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 46' ' ' ILE . . . . . 0.481 HG21 ' HB3' ' B' ' 87' ' ' LEU . 39.9 mt -68.86 -34.52 64.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.483 179.291 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 47' ' ' ALA . . . . . 0.703 ' HB1' HD13 ' A' ' 96' ' ' ILE . . . -66.75 -8.0 25.12 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.721 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 45.4 t -104.63 -47.46 4.06 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.044 -179.1 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -98.27 -15.71 34.64 Favored Glycine 0 C--N 1.331 0.285 0 C-N-CA 120.466 -0.873 . . . . 0.0 113.546 -175.127 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 69.95 -81.37 0.34 Allowed Glycine 0 N--CA 1.45 -0.426 0 N-CA-C 111.761 -0.536 . . . . 0.0 111.761 -179.284 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -109.04 -25.6 10.61 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-O 121.093 0.473 . . . . 0.0 110.477 -179.259 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 25.8 t -73.4 -11.11 60.36 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.374 -178.797 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -89.66 -20.73 23.31 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.684 -179.653 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 54' ' ' LEU . . . . . 0.461 HD11 HG11 ' A' ' 88' ' ' VAL . 45.2 mt -52.06 -56.61 20.25 Favored Pre-proline 0 CA--C 1.534 0.35 0 CA-C-N 115.923 -0.581 . . . . 0.0 112.015 -176.819 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 55' ' ' PRO . . . . . 0.453 ' HD2' ' N ' ' B' ' 54' ' ' LEU . 26.1 Cg_endo -62.67 -18.92 66.46 Favored 'Trans proline' 0 C--N 1.352 0.754 0 C-N-CA 122.042 1.828 . . . . 0.0 112.501 -176.918 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 40.2 m -92.82 -36.88 12.61 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.116 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 69.8 t -81.5 -41.01 18.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.43 -173.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 58' ' ' ILE . . . . . 0.461 HG12 ' HG ' ' B' ' 83' ' ' LEU . 74.2 mt -58.92 -37.88 69.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.925 -0.579 . . . . 0.0 109.841 176.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 32.9 t -69.36 -40.53 77.41 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.241 179.741 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 -56.54 -42.29 78.25 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 121.318 0.58 . . . . 0.0 110.438 178.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 61' ' ' ILE . . . . . 0.49 ' O ' HG23 ' B' ' 65' ' ' VAL . 64.2 mt -82.17 -48.03 18.65 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.599 -178.101 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 62' ' ' TYR . . . . . 0.427 ' O ' HG23 ' B' ' 66' ' ' VAL . 47.8 t80 -55.57 -50.84 69.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.589 -0.278 . . . . 0.0 110.977 -175.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 42.2 m -61.09 -28.84 69.37 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.912 179.801 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -73.33 -43.5 38.12 Favored Glycine 0 N--CA 1.447 -0.568 0 C-N-CA 120.947 -0.645 . . . . 0.0 111.664 178.073 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 65' ' ' VAL . . . . . 0.737 HG12 HG11 ' B' ' 70' ' ' VAL . 50.8 t -65.68 -45.61 91.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-O 120.919 0.39 . . . . 0.0 111.025 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 66' ' ' VAL . . . . . 0.427 HG23 ' O ' ' B' ' 62' ' ' TYR . 86.5 t -60.68 -39.97 83.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.945 -179.552 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -70.68 -5.27 28.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.782 179.444 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 23.9 t -86.73 -8.63 57.22 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.942 0.401 . . . . 0.0 110.616 179.347 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 84.18 37.4 11.23 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.675 -0.774 . . . . 0.0 111.847 -178.404 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.737 HG11 HG12 ' B' ' 65' ' ' VAL . 14.4 p -87.08 160.63 2.96 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.797 0 N-CA-C 109.959 -0.386 . . . . 0.0 109.959 178.928 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 21.3 t -61.4 135.63 57.76 Favored 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 109.049 -0.723 . . . . 0.0 109.049 172.788 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 3.1 p -49.41 -49.12 46.23 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 113.22 0.822 . . . . 0.0 113.22 -172.41 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 73' ' ' ASN . . . . . 0.406 HD22 ' HA ' ' B' ' 73' ' ' ASN . 1.8 t-20 -80.92 -26.79 36.47 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 120.82 -0.352 . . . . 0.0 110.878 -176.339 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 74' ' ' GLU . . . . . 0.467 ' OE2' ' HA ' ' B' ' 16' ' ' ALA . 41.0 tt0 -69.37 -28.61 66.35 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 121.022 0.439 . . . . 0.0 110.204 177.892 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 75' ' ' ALA . . . . . 0.43 ' HB2' ' CG1' ' B' ' 70' ' ' VAL . . . -56.59 -40.56 75.46 Favored 'General case' 0 CA--C 1.519 -0.223 0 CA-C-N 115.749 -0.66 . . . . 0.0 111.235 178.291 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 76' ' ' LEU . . . . . 0.513 HD23 ' HB3' ' B' ' 118' ' ' TYR . 2.8 tm? -56.52 -48.29 77.55 Favored 'General case' 0 CA--C 1.518 -0.282 0 CA-C-N 115.912 -0.585 . . . . 0.0 109.868 178.829 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 77' ' ' ILE . . . . . 0.74 ' O ' ' HG ' ' B' ' 81' ' ' LEU . 39.2 mm -61.81 -55.59 23.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.097 -176.43 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 78' ' ' GLN . . . . . 0.517 ' HB2' ' HB1' ' B' ' 26' ' ' ALA . 24.1 tt0 -58.25 -45.73 87.25 Favored 'General case' 0 N--CA 1.464 0.262 0 C-N-CA 120.989 -0.284 . . . . 0.0 111.057 179.285 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -57.85 -40.8 80.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.6 -179.651 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 80' ' ' LEU . . . . . 0.438 ' O ' ' HB3' ' B' ' 83' ' ' LEU . 2.8 mm? -67.93 -49.78 59.89 Favored 'General case' 0 N--CA 1.444 -0.748 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.095 175.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 81' ' ' LEU . . . . . 0.74 ' HG ' ' O ' ' B' ' 77' ' ' ILE . 73.0 mt -55.84 -42.57 75.98 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.521 0.201 . . . . 0.0 111.311 -176.391 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -64.94 -40.13 94.56 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.994 0.426 . . . . 0.0 110.548 175.291 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 83' ' ' LEU . . . . . 0.461 ' HG ' HG12 ' B' ' 58' ' ' ILE . 3.3 tm? -58.72 -48.37 81.37 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.059 175.297 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 84' ' ' LEU . . . . . 0.451 HD11 HD21 ' A' ' 84' ' ' LEU . 7.8 mp -61.12 -16.12 40.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.834 -179.647 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 40.4 m -93.69 -33.71 13.54 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.983 0.421 . . . . 0.0 111.092 -174.454 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 86' ' ' ALA . . . . . 0.47 ' O ' HG13 ' B' ' 90' ' ' VAL . . . -67.16 -43.22 82.81 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.932 -177.667 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 87' ' ' LEU . . . . . 0.481 ' HB3' HG21 ' B' ' 46' ' ' ILE . 1.1 pp -82.11 -14.12 56.23 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 113.096 0.776 . . . . 0.0 113.096 -171.433 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 88' ' ' VAL . . . . . 0.469 HG11 HD11 ' A' ' 54' ' ' LEU . 16.7 m -94.42 -22.46 5.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 C-N-CA 120.278 -0.569 . . . . 0.0 110.725 176.361 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 89' ' ' HIS . . . . . . . . . . . . . 52.5 t60 -70.96 -34.08 71.08 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 176.657 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 90' ' ' VAL . . . . . 0.47 HG13 ' O ' ' B' ' 86' ' ' ALA . 27.0 m -66.47 -26.56 37.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.545 -175.726 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 91' ' ' LEU . . . . . 0.694 ' HA ' ' HB3' ' B' ' 94' ' ' ALA . 3.4 mm? -65.43 -20.03 66.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.642 -0.254 . . . . 0.0 111.059 -179.547 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 35.2 t -58.27 -33.1 69.03 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.91 0.386 . . . . 0.0 110.562 177.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 12.7 t -119.72 15.85 12.72 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.49 0.662 . . . . 0.0 109.753 -179.38 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 94' ' ' ALA . . . . . 0.694 ' HB3' ' HA ' ' B' ' 91' ' ' LEU . . . -104.47 96.96 6.96 Favored 'General case' 0 N--CA 1.446 -0.65 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.68 178.292 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 45.8 t -73.28 91.43 1.7 Allowed 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 176.692 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 96' ' ' ILE . . . . . 0.688 HD13 ' HB1' ' A' ' 47' ' ' ALA . 19.0 tt -74.28 142.87 14.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.921 -179.216 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 97' ' ' GLY . . . . . . . . . . . . . . . -90.5 -112.06 1.55 Allowed Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.878 -0.677 . . . . 0.0 112.249 179.492 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 98' ' ' ASN . . . . . . . . . . . . . 10.1 t30 -122.43 108.3 13.04 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.882 0.372 . . . . 0.0 110.44 -179.399 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 99' ' ' VAL . . . . . 0.56 ' CG1' HD11 ' B' ' 96' ' ' ILE . 5.4 m -89.34 134.75 27.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-O 121.142 0.496 . . . . 0.0 111.353 -178.258 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 100' ' ' SER . . . . . . . . . . . . . 18.7 p -85.38 142.07 29.55 Favored 'General case' 0 N--CA 1.446 -0.654 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.464 179.594 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 2.9 p -84.43 10.39 10.89 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.457 0.646 . . . . 0.0 110.243 176.5 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 60.8 t -114.64 126.81 72.28 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.68 0 CA-C-N 115.345 -0.843 . . . . 0.0 109.827 -177.337 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . 113.91 -9.45 23.29 Favored Glycine 0 N--CA 1.448 -0.516 0 CA-C-N 115.846 -0.615 . . . . 0.0 112.332 178.81 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 104' ' ' VAL . . . . . . . . . . . . . 15.9 t -61.69 -31.42 50.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.651 0.262 . . . . 0.0 110.342 179.125 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -51.69 -37.91 52.78 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 115.518 -0.765 . . . . 0.0 110.356 177.856 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 106' ' ' SER . . . . . 0.445 ' O ' ' HB2' ' B' ' 109' ' ' ASN . 17.4 m -83.45 -35.55 24.88 Favored 'General case' 0 N--CA 1.454 -0.225 0 CA-C-N 115.802 -0.636 . . . . 0.0 111.51 -178.931 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 37.8 m -62.46 -32.61 73.52 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.102 0.477 . . . . 0.0 110.387 178.48 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 108' ' ' LEU . . . . . 0.563 ' O ' ' HG3' ' B' ' 112' ' ' GLN . 3.0 mt -61.48 -23.31 65.81 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.444 -0.798 . . . . 0.0 111.195 176.746 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 109' ' ' ASN . . . . . 0.445 ' HB2' ' O ' ' B' ' 106' ' ' SER . 4.9 m-20 -65.83 -33.9 76.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.152 0.501 . . . . 0.0 110.243 176.066 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 110' ' ' VAL . . . . . . . . . . . . . 29.4 t -80.33 -34.12 14.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.968 -175.483 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 111' ' ' VAL . . . . . 0.532 HG12 ' O ' ' B' ' 108' ' ' LEU . 9.6 p -67.26 -26.3 35.84 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.349 0 CA-C-O 121.247 0.546 . . . . 0.0 110.145 -179.181 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 112' ' ' GLN . . . . . 0.563 ' HG3' ' O ' ' B' ' 108' ' ' LEU . 24.8 mt-30 -74.81 -22.31 58.79 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.813 179.412 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 113' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -79.68 -39.44 31.3 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.204 -0.907 . . . . 0.0 110.705 -175.442 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 4.6 p -80.68 -43.21 20.72 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.12 -0.946 . . . . 0.0 112.517 -170.398 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 115' ' ' VAL . . . . . 0.502 HG12 ' O ' ' B' ' 111' ' ' VAL . 10.4 p -105.92 -17.86 7.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-O 121.018 0.437 . . . . 0.0 111.117 -174.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 116' ' ' GLY . . . . . . . . . . . . . . . -62.29 -21.92 62.6 Favored Glycine 0 C--O 1.228 -0.27 0 C-N-CA 121.091 -0.576 . . . . 0.0 112.621 -179.178 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -86.51 -3.52 59.03 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 111.687 0.254 . . . . 0.0 111.687 -179.231 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 118' ' ' TYR . . . . . 0.513 ' HB3' HD23 ' B' ' 76' ' ' LEU . 77.3 m-85 -111.98 -28.13 8.14 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.926 0.394 . . . . 0.0 110.874 178.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 119' ' ' VAL . . . . . . . . . . . . . 34.2 m -89.45 -5.23 10.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.83 176.592 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.878 -0.957 . . . . 0.0 111.545 179.403 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.927 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 10.6 m -67.74 136.16 53.82 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.762 0.315 . . . . 0.0 110.815 -178.636 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . 177.71 167.99 36.67 Favored Glycine 0 N--CA 1.447 -0.587 0 C-N-CA 120.947 -0.644 . . . . 0.0 111.987 179.115 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' -2' ' ' ASN . . . . . 0.432 ' OD1' HG21 ' B' ' 1' ' ' VAL . 8.4 p30 -98.64 151.39 20.76 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.592 -0.522 . . . . 0.0 109.592 179.345 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 8.7 t -147.51 96.08 2.63 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 120.987 0.422 . . . . 0.0 110.493 179.631 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 32.6 m -86.6 -31.39 6.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.969 -0.559 . . . . 0.0 109.91 175.238 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 17.6 p -147.68 152.72 38.3 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.508 178.749 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.2 t -99.06 113.37 25.54 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 178.092 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -107.97 -173.06 21.91 Favored Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.307 -178.292 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -93.87 24.16 27.63 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.989 -0.624 . . . . 0.0 112.239 178.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 25.6 p90 -147.0 -175.09 4.68 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.998 -0.371 . . . . 0.0 109.998 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 86.83 -64.01 3.98 Favored Glycine 0 N--CA 1.447 -0.609 0 C-N-CA 120.9 -0.667 . . . . 0.0 112.056 -178.316 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 27.4 t80 -84.13 -53.05 5.79 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-O 120.921 0.391 . . . . 0.0 110.89 -179.397 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -131.72 85.63 0.29 Allowed Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.955 -0.64 . . . . 0.0 112.04 -179.622 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 82.0 p -87.0 -19.72 28.29 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.084 0.468 . . . . 0.0 110.986 -177.892 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 16.2 m -132.48 150.08 52.22 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.092 -179.029 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -80.07 101.07 8.5 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.22 0.533 . . . . 0.0 111.04 -179.593 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -101.34 -170.07 1.78 Allowed 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.547 -0.751 . . . . 0.0 109.149 173.271 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.37 -84.34 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 120.934 -0.306 . . . . 0.0 111.7 -178.486 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.714 ' HA3' ' H ' ' A' ' 25' ' ' GLY . . . -160.87 -160.88 11.02 Favored Glycine 0 N--CA 1.443 -0.869 0 C-N-CA 119.376 -1.393 . . . . 0.0 113.749 -175.071 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 63.95 64.69 0.74 Allowed 'General case' 0 C--O 1.234 0.257 0 O-C-N 124.303 0.649 . . . . 0.0 111.206 179.21 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 89.54 26.89 23.96 Favored Glycine 0 CA--C 1.52 0.38 0 CA-C-N 115.57 -0.741 . . . . 0.0 113.34 178.686 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.433 HG23 ' O ' ' A' ' 22' ' ' SER . 3.0 m -76.25 -44.11 36.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 117.056 0.428 . . . . 0.0 111.55 179.434 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -136.8 174.42 10.64 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.56 -0.291 . . . . 0.0 110.786 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -93.48 36.99 1.06 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.377 178.257 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.478 ' CA ' ' HA3' ' B' ' 21' ' ' GLY . . . 178.37 -37.92 0.08 OUTLIER Glycine 0 N--CA 1.447 -0.581 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.692 -177.738 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.457 ' HB3' ' O ' ' B' ' 119' ' ' VAL . 37.8 m -109.36 136.18 49.21 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.404 0.145 . . . . 0.0 111.171 -179.215 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.447 ' OH ' ' HB3' ' A' ' 73' ' ' ASN . 0.0 OUTLIER -157.64 131.79 8.22 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.739 177.412 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -89.77 -11.27 42.68 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 121.169 0.509 . . . . 0.0 110.058 174.624 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.714 ' H ' ' HA3' ' A' ' 15' ' ' GLY . . . -67.2 -31.1 76.56 Favored Glycine 0 CA--C 1.507 -0.453 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.841 -176.784 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -69.71 -15.85 63.23 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.26 0.552 . . . . 0.0 110.165 176.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.589 ' CG1' ' HA ' ' B' ' 112' ' ' GLN . 3.9 t -92.18 -43.23 13.84 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.733 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.385 -176.097 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 24.6 m120 -62.08 -33.89 75.26 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 121.082 0.468 . . . . 0.0 110.362 -179.294 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 35.7 ttp180 -66.99 -12.91 61.21 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-N 115.258 -0.883 . . . . 0.0 112.192 -178.316 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.658 HD11 ' HB3' ' A' ' 81' ' ' LEU . 90.8 mt -69.45 -24.85 63.86 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.007 0.373 . . . . 0.0 112.007 -177.603 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 24.1 p -69.82 -13.35 62.22 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.436 -174.116 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 42.1 t -71.75 150.31 44.57 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.187 -0.46 . . . . 0.0 109.951 178.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.68 -12.0 41.76 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.92 0.39 . . . . 0.0 111.238 -178.664 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -61.1 -56.08 25.08 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.357 178.888 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.526 ' O ' HG23 ' A' ' 39' ' ' VAL . . . -57.98 -46.95 84.37 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.654 175.052 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -56.42 -19.11 13.46 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.034 -0.53 . . . . 0.0 112.059 -178.697 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 40.0 m -95.44 -23.84 16.95 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.521 -0.309 . . . . 0.0 111.783 179.46 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.557 ' NH1' ' HA ' ' A' ' 61' ' ' ILE . 8.4 mtp180 -91.52 -43.14 9.86 Favored 'General case' 0 CA--C 1.516 -0.335 0 CA-C-O 121.591 0.71 . . . . 0.0 109.483 -179.133 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.526 HG23 ' O ' ' A' ' 35' ' ' ALA . 61.4 t -60.4 -40.41 84.01 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.86 0 CA-C-N 114.434 -1.257 . . . . 0.0 110.42 177.88 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 78.7 p -76.46 -8.12 56.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.1 -179.21 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 48.1 t -91.78 -8.05 47.84 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.208 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 46.2 m-80 -122.2 -4.66 8.94 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.269 -177.277 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.502 HG13 ' N ' ' A' ' 44' ' ' ALA . 5.0 pt -58.2 -42.56 83.71 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.133 0 CA-C-O 120.839 0.352 . . . . 0.0 111.229 179.349 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.502 ' N ' HG13 ' A' ' 43' ' ' ILE . . . -75.41 -15.7 60.42 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.097 0.475 . . . . 0.0 111.181 -175.652 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -80.47 -52.56 7.5 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.285 -178.8 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.453 HG21 ' HB3' ' A' ' 87' ' ' LEU . 33.4 mt -65.95 -34.24 68.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.441 -179.831 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.766 ' HB1' HD13 ' B' ' 96' ' ' ILE . . . -61.01 -26.21 67.44 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.201 179.243 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 38.6 m -95.87 -42.2 8.44 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.42 -176.582 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -91.05 -21.09 36.84 Favored Glycine 0 CA--C 1.518 0.276 0 C-N-CA 120.62 -0.8 . . . . 0.0 113.422 -175.359 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 73.68 -77.01 0.95 Allowed Glycine 0 N--CA 1.451 -0.356 0 N-CA-C 111.667 -0.573 . . . . 0.0 111.667 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -120.99 -22.84 6.02 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-O 121.019 0.437 . . . . 0.0 110.536 179.449 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 9.0 t -72.73 -13.81 61.42 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.274 0.559 . . . . 0.0 110.122 -177.64 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -88.31 -17.18 31.21 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.83 -179.263 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.45 ' N ' ' HD2' ' A' ' 55' ' ' PRO . 43.7 mt -54.92 -57.55 18.89 Favored Pre-proline 0 C--N 1.327 -0.397 0 CA-C-N 116.027 -0.533 . . . . 0.0 112.097 -175.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.45 ' HD2' ' N ' ' A' ' 54' ' ' LEU . 17.0 Cg_endo -59.04 -24.29 72.8 Favored 'Trans proline' 0 C--N 1.35 0.628 0 C-N-CA 122.21 1.94 . . . . 0.0 112.519 -177.193 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 24.9 m -88.78 -39.8 13.66 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.984 0.421 . . . . 0.0 110.915 -179.456 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 59.2 t -76.44 -37.8 31.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 121.098 0.475 . . . . 0.0 110.144 -175.526 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.471 HG12 HD22 ' A' ' 83' ' ' LEU . 64.9 mt -57.6 -43.39 83.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.925 174.829 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 22.6 t -68.02 -38.17 82.26 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.2 -0.454 . . . . 0.0 109.969 -178.582 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -59.81 -49.17 78.76 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.813 179.191 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.557 ' HA ' ' NH1' ' A' ' 38' ' ' ARG . 50.6 mt -74.78 -47.26 38.69 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.175 -178.17 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.451 ' O ' HG23 ' A' ' 66' ' ' VAL . 43.4 t80 -53.5 -53.6 49.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.982 -178.703 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 42.7 t -59.87 -32.13 70.42 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.971 0.415 . . . . 0.0 110.75 -179.695 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.526 ' HA3' ' NH1' ' A' ' 38' ' ' ARG . . . -66.52 -40.22 94.2 Favored Glycine 0 C--N 1.329 0.191 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.004 -179.398 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.754 HG12 HG11 ' A' ' 70' ' ' VAL . 18.6 t -78.4 -42.4 26.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-O 120.819 0.343 . . . . 0.0 111.044 -178.841 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.451 HG23 ' O ' ' A' ' 62' ' ' TYR . 94.5 t -60.1 -37.1 71.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.046 -179.161 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -70.88 -5.72 32.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.51 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 11.9 t -90.0 -11.96 40.04 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.6 -0.273 . . . . 0.0 110.537 179.237 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 96.61 30.28 7.74 Favored Glycine 0 C--N 1.331 0.265 0 C-N-CA 120.624 -0.798 . . . . 0.0 112.847 178.141 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.754 HG11 HG12 ' A' ' 65' ' ' VAL . 11.6 p -91.13 159.25 2.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 N-CA-C 110.221 -0.289 . . . . 0.0 110.221 178.182 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 27.1 t -66.77 147.16 53.62 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 110.105 -0.332 . . . . 0.0 110.105 175.302 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 6.4 p -58.62 -44.69 90.07 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 112.43 0.53 . . . . 0.0 112.43 -173.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.447 ' HB3' ' OH ' ' A' ' 23' ' ' TYR . 0.2 OUTLIER -73.14 -35.92 66.58 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.881 -0.328 . . . . 0.0 110.428 -176.231 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -70.52 -34.1 71.92 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 176.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.548 ' HB2' HG13 ' A' ' 70' ' ' VAL . . . -58.94 -40.2 83.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.635 175.589 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.491 HD23 ' HB3' ' A' ' 118' ' ' TYR . 2.7 tm? -56.75 -54.23 48.6 Favored 'General case' 0 CA--C 1.517 -0.298 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 176.202 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.757 ' O ' ' HG ' ' A' ' 81' ' ' LEU . 39.5 mm -58.49 -56.97 13.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 115.461 -0.79 . . . . 0.0 110.714 -178.738 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' GLN . . . . . 0.545 ' HG2' HG11 ' A' ' 65' ' ' VAL . 24.6 tp60 -51.94 -48.9 64.06 Favored 'General case' 0 N--CA 1.467 0.391 0 O-C-N 123.249 0.343 . . . . 0.0 111.366 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.92 -40.13 96.67 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.061 -178.755 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.541 ' O ' HD23 ' A' ' 84' ' ' LEU . 3.6 mm? -67.93 -37.59 81.83 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.971 178.531 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.757 ' HG ' ' O ' ' A' ' 77' ' ' ILE . 59.5 mt -63.52 -46.19 87.16 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.845 0.355 . . . . 0.0 110.357 178.779 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -61.15 -42.71 99.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.569 176.315 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.533 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 57.5 tp -59.2 -46.41 88.51 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.95 177.535 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.725 HD21 HD21 ' B' ' 84' ' ' LEU . 3.7 mm? -69.4 -1.42 8.33 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.719 -178.023 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 20.3 m -102.78 -27.93 12.39 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.019 0.438 . . . . 0.0 110.403 176.757 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -75.48 -46.42 32.54 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.16 0.505 . . . . 0.0 110.672 -176.691 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.533 ' HG ' ' O ' ' A' ' 83' ' ' LEU . 1.0 OUTLIER -78.7 -13.97 59.54 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.585 -0.734 . . . . 0.0 112.849 -172.319 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.481 HG13 HD12 ' A' ' 87' ' ' LEU . 17.4 m -94.78 -27.47 4.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 C-N-CA 120.547 -0.461 . . . . 0.0 110.795 177.049 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 70.0 t60 -65.83 -34.46 78.2 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 178.737 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 33.1 m -65.16 -26.82 40.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.111 -175.863 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.562 ' HA ' ' HB3' ' A' ' 94' ' ' ALA . 3.9 mm? -67.05 -21.25 65.91 Favored 'General case' 0 N--CA 1.462 0.147 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.273 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 34.9 t -71.03 -17.8 62.6 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.826 0.346 . . . . 0.0 111.049 -179.792 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.646 ' HB2' HG12 ' B' ' 99' ' ' VAL . 73.5 m -119.33 -9.88 9.82 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.624 0.725 . . . . 0.0 110.454 178.496 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.562 ' HB3' ' HA ' ' A' ' 91' ' ' LEU . . . -88.46 104.12 16.51 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.114 -0.948 . . . . 0.0 111.27 -179.666 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 12.2 t -75.16 87.99 2.45 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.457 -0.571 . . . . 0.0 109.457 176.188 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.725 HD13 ' HB1' ' B' ' 47' ' ' ALA . 20.8 tt -70.41 145.18 13.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.339 -177.864 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -94.12 -99.06 1.6 Allowed Glycine 0 N--CA 1.446 -0.656 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.204 179.301 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -133.12 111.6 11.07 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.844 0.354 . . . . 0.0 111.077 -177.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.57 ' CG1' HD11 ' A' ' 96' ' ' ILE . 13.1 m -93.18 153.66 3.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.438 177.129 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 48.5 m -129.75 147.96 51.58 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.644 -178.475 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' SER . . . . . 0.477 ' HB3' ' HB2' ' B' ' 40' ' ' SER . 21.3 m -74.63 -6.29 47.84 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.737 -177.06 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 60.7 t -88.11 108.79 18.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.791 -176.409 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 124.44 -11.75 8.0 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.852 -0.689 . . . . 0.0 112.888 176.602 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 46.9 t -59.83 -29.28 42.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.431 0.158 . . . . 0.0 111.185 -178.845 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -48.8 -46.48 41.76 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-O 121.404 0.621 . . . . 0.0 110.507 178.464 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 15.5 m -70.42 -25.33 63.17 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.452 -0.795 . . . . 0.0 111.523 -177.131 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 20.3 m -72.56 -35.71 68.05 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.874 0.369 . . . . 0.0 110.172 -178.14 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.576 ' O ' HG12 ' A' ' 111' ' ' VAL . 4.4 mm? -58.53 -37.82 76.45 Favored 'General case' 0 C--O 1.224 -0.28 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.371 175.529 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 16.1 m-80 -67.34 -21.46 65.64 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.68 -177.365 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 26.2 t -91.99 -37.56 9.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.187 -178.03 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.576 HG12 ' O ' ' A' ' 108' ' ' LEU . 7.9 p -61.04 -28.93 44.69 Favored 'Isoleucine or valine' 0 C--O 1.233 0.216 0 CA-C-O 121.256 0.551 . . . . 0.0 110.168 -179.827 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 112' ' ' GLN . . . . . 0.543 ' HG3' ' O ' ' A' ' 108' ' ' LEU . 24.1 mt-30 -64.47 -25.44 68.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.699 179.237 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -81.3 -38.65 26.45 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.419 -0.809 . . . . 0.0 110.263 -178.042 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' SER . . . . . 0.417 ' OG ' ' HD3' ' A' ' 55' ' ' PRO . 6.6 m -73.64 -43.38 59.68 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.172 -0.922 . . . . 0.0 112.107 -172.49 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.431 HG12 ' O ' ' A' ' 111' ' ' VAL . 10.8 p -117.52 -19.09 6.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 N-CA-C 112.114 0.413 . . . . 0.0 112.114 -172.166 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -61.64 -22.3 61.6 Favored Glycine 0 C--O 1.23 -0.152 0 C-N-CA 120.93 -0.653 . . . . 0.0 112.692 -177.523 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -91.34 4.41 52.46 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.547 0.213 . . . . 0.0 111.219 -179.53 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' TYR . . . . . 0.491 ' HB3' HD23 ' A' ' 76' ' ' LEU . 90.4 m-85 -113.0 -26.54 8.45 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.896 0.379 . . . . 0.0 110.229 177.74 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 35.2 m -89.14 -0.52 8.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.67 176.017 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.488 0 CA-C-N 115.746 -0.661 . . . . 0.0 112.018 179.734 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 N-CA-C 112.153 -0.379 . . . . 0.0 112.153 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' -4' ' ' SER . . . . . . . . . . . . . 60.8 p -150.46 174.07 13.33 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 110.136 -0.32 . . . . 0.0 110.136 178.73 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' -3' ' ' GLY . . . . . . . . . . . . . . . 117.92 -133.11 10.24 Favored Glycine 0 N--CA 1.445 -0.744 0 C-N-CA 120.686 -0.769 . . . . 0.0 111.838 -179.32 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' -2' ' ' ASN . . . . . . . . . . . . . 10.0 p30 -146.09 154.38 41.77 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 110.329 -0.249 . . . . 0.0 110.329 179.444 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' -1' ' ' SER . . . . . . . . . . . . . 22.8 t -150.24 168.9 22.66 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.003 -0.74 . . . . 0.0 109.003 176.283 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 1' ' ' VAL . . . . . 0.432 HG21 ' OD1' ' A' ' -2' ' ' ASN . 5.7 m -140.69 -43.11 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-O 120.874 0.369 . . . . 0.0 111.395 -176.327 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 12.9 p -126.29 -176.11 3.56 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.853 0.358 . . . . 0.0 111.163 -175.168 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 23.3 t -142.03 131.79 24.21 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 179.254 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -166.36 -165.8 24.34 Favored Glycine 0 N--CA 1.445 -0.749 0 C-N-CA 121.196 -0.526 . . . . 0.0 111.891 -179.089 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -69.18 -65.63 2.54 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 121.102 -0.57 . . . . 0.0 112.007 -179.578 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 6' ' ' TYR . . . . . . . . . . . . . 52.1 p90 -67.16 129.93 41.49 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-O 121.262 0.553 . . . . 0.0 109.927 177.344 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . 141.51 -44.25 1.03 Allowed Glycine 0 N--CA 1.446 -0.644 0 N-CA-C 110.762 -0.935 . . . . 0.0 110.762 -175.573 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 60.4 m-85 -88.71 -62.94 1.38 Allowed 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 108.477 -0.935 . . . . 0.0 108.477 170.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -130.13 91.17 0.3 Allowed Glycine 0 N--CA 1.44 -1.077 0 N-CA-C 110.323 -1.111 . . . . 0.0 110.323 175.857 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 72.1 p -59.86 -41.15 90.87 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.379 0.609 . . . . 0.0 110.608 -176.822 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 19.6 m -103.2 141.71 35.41 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.117 -0.947 . . . . 0.0 109.108 172.546 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -67.45 111.31 4.02 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.912 0.387 . . . . 0.0 110.876 -179.412 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -102.4 -166.94 1.34 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.101 -177.838 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.88 -20.95 66.41 Favored 'General case' 0 N--CA 1.461 0.12 0 CA-C-N 116.186 -0.461 . . . . 0.0 112.071 -177.205 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 15' ' ' GLY . . . . . 0.623 ' HA3' ' H ' ' B' ' 25' ' ' GLY . . . 127.39 -157.61 20.88 Favored Glycine 0 N--CA 1.445 -0.733 0 C-N-CA 120.181 -1.009 . . . . 0.0 112.802 176.673 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . 64.47 90.92 0.08 Allowed 'General case' 0 N--CA 1.463 0.206 0 O-C-N 124.263 0.625 . . . . 0.0 111.149 -178.623 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 59.99 49.92 73.35 Favored Glycine 0 CA--C 1.518 0.26 0 CA-C-N 115.79 -0.641 . . . . 0.0 112.996 -178.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 18' ' ' VAL . . . . . 0.41 HG23 ' O ' ' B' ' 22' ' ' SER . 2.3 m -96.88 -33.46 4.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 N-CA-C 111.972 0.36 . . . . 0.0 111.972 179.777 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -138.59 -170.6 2.87 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.495 0.188 . . . . 0.0 110.73 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -99.33 -7.1 26.76 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.67 0.271 . . . . 0.0 111.276 179.655 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 21' ' ' GLY . . . . . 0.478 ' HA3' ' CA ' ' A' ' 21' ' ' GLY . . . -157.77 25.26 0.43 Allowed Glycine 0 CA--C 1.509 -0.33 0 C-N-CA 120.568 -0.825 . . . . 0.0 112.105 176.363 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 22' ' ' SER . . . . . 0.41 ' O ' HG23 ' B' ' 18' ' ' VAL . 26.5 m -151.54 122.93 7.82 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.758 -0.221 . . . . 0.0 110.679 179.724 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 23' ' ' TYR . . . . . 0.446 ' CE1' ' HA ' ' B' ' 74' ' ' GLU . 0.2 OUTLIER -151.93 117.88 5.49 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.025 177.475 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -74.5 -27.11 60.41 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-O 121.226 0.536 . . . . 0.0 110.621 177.316 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 25' ' ' GLY . . . . . 0.623 ' H ' ' HA3' ' B' ' 15' ' ' GLY . . . -62.75 -28.88 72.38 Favored Glycine 0 N--CA 1.452 -0.287 0 CA-C-N 115.832 -0.622 . . . . 0.0 112.24 -179.11 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -76.05 -8.31 56.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.438 0.637 . . . . 0.0 110.346 178.163 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 27' ' ' VAL . . . . . 0.506 HG12 ' HG2' ' A' ' 112' ' ' GLN . 3.5 t -97.54 -42.86 11.92 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.076 178.887 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 28.1 m120 -60.93 -35.24 76.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.824 0.345 . . . . 0.0 110.843 -179.169 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 25.2 ttp180 -66.4 -14.67 62.47 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 116.04 -0.527 . . . . 0.0 112.165 -177.652 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 30' ' ' LEU . . . . . 0.631 HD11 ' HB3' ' B' ' 81' ' ' LEU . 91.5 mt -64.71 -25.5 67.97 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.917 -178.388 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 43.9 p -75.68 4.79 7.13 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.198 -177.442 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 47.0 t -94.65 166.11 12.18 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.365 178.871 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.32 -21.88 66.76 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.694 178.664 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -49.72 -58.89 4.44 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.784 179.046 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 35' ' ' ALA . . . . . 0.641 ' O ' HG23 ' B' ' 39' ' ' VAL . . . -65.69 -58.79 4.86 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.342 -0.845 . . . . 0.0 110.756 179.684 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -47.97 -36.01 11.82 Favored 'General case' 0 N--CA 1.464 0.268 0 N-CA-C 112.568 0.581 . . . . 0.0 112.568 -173.237 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 50.7 m -70.74 -30.41 66.93 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 112.359 0.504 . . . . 0.0 112.359 -178.465 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -93.02 -40.62 10.43 Favored 'General case' 0 CA--C 1.513 -0.478 0 CA-C-O 121.694 0.759 . . . . 0.0 109.7 -176.222 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 39' ' ' VAL . . . . . 0.641 HG23 ' O ' ' B' ' 35' ' ' ALA . 40.2 t -58.36 -45.38 89.56 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.919 0 CA-C-N 114.569 -1.196 . . . . 0.0 110.705 178.368 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 40' ' ' SER . . . . . 0.477 ' HB2' ' HB3' ' A' ' 101' ' ' SER . 89.0 p -77.72 -5.98 52.43 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.476 -177.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 34.3 t -90.1 -19.48 24.27 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.173 0.511 . . . . 0.0 109.983 179.69 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 38.0 m-80 -113.77 -0.3 14.28 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.093 -174.175 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 43' ' ' ILE . . . . . 0.459 HG23 ' O ' ' B' ' 39' ' ' VAL . 3.7 pt -59.76 -41.93 87.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.02 178.261 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 44' ' ' ALA . . . . . 0.455 ' N ' HG13 ' B' ' 43' ' ' ILE . . . -76.91 -11.63 59.84 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.865 0.364 . . . . 0.0 111.014 -176.249 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -83.26 -52.81 6.25 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.091 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 41.7 mt -64.98 -36.44 77.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.4 -179.495 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 47' ' ' ALA . . . . . 0.725 ' HB1' HD13 ' A' ' 96' ' ' ILE . . . -62.51 -24.93 67.75 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.49 -179.784 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 37.0 m -100.61 -9.96 21.42 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.67 -175.589 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -120.6 -29.18 1.61 Allowed Glycine 0 N--CA 1.453 -0.199 0 C-N-CA 120.339 -0.934 . . . . 0.0 113.08 -176.461 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 81.71 -78.33 1.96 Allowed Glycine 0 N--CA 1.447 -0.608 0 N-CA-C 111.41 -0.676 . . . . 0.0 111.41 -179.064 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -124.21 -20.09 5.37 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 121.099 0.476 . . . . 0.0 110.879 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 23.0 t -69.68 -18.89 63.59 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.476 -178.79 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -88.85 -15.7 33.84 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.94 -177.522 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 54' ' ' LEU . . . . . 0.469 HD11 HG11 ' A' ' 88' ' ' VAL . 43.4 mt -54.76 -58.18 15.63 Favored Pre-proline 0 CA--C 1.536 0.414 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.928 -176.004 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 55' ' ' PRO . . . . . 0.43 ' HD2' ' N ' ' B' ' 54' ' ' LEU . 19.6 Cg_endo -60.16 -25.96 81.29 Favored 'Trans proline' 0 C--N 1.354 0.857 0 C-N-CA 122.191 1.928 . . . . 0.0 112.304 -177.679 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 22.4 m -82.2 -42.09 19.45 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.914 -179.348 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 79.1 t -77.19 -38.55 27.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.257 -173.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 58' ' ' ILE . . . . . 0.512 HG12 HD22 ' B' ' 83' ' ' LEU . 67.7 mt -58.65 -41.31 81.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.053 175.113 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 15.6 t -66.59 -35.6 80.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.255 -178.205 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -65.72 -49.95 66.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.767 179.281 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 61' ' ' ILE . . . . . 0.481 ' O ' HG23 ' B' ' 65' ' ' VAL . 62.6 mt -73.48 -47.28 46.09 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.707 -176.281 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 62' ' ' TYR . . . . . 0.536 ' O ' HG23 ' B' ' 66' ' ' VAL . 36.8 t80 -54.62 -54.69 38.21 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.609 -0.269 . . . . 0.0 111.26 -177.565 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 5.2 t -63.66 -29.95 71.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.049 0.452 . . . . 0.0 110.094 -177.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -66.65 -41.81 93.71 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.939 -0.648 . . . . 0.0 111.791 178.182 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 65' ' ' VAL . . . . . 0.661 HG12 HG11 ' B' ' 70' ' ' VAL . 45.2 t -70.35 -41.42 78.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-O 120.776 0.322 . . . . 0.0 110.751 178.805 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 66' ' ' VAL . . . . . 0.536 HG23 ' O ' ' B' ' 62' ' ' TYR . 89.4 t -60.5 -37.36 74.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.799 -179.806 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -66.92 -12.64 60.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.124 -0.489 . . . . 0.0 112.039 179.346 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 48.4 t -78.92 -17.33 55.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.094 0.473 . . . . 0.0 110.346 178.301 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 92.71 38.25 5.57 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.627 -0.797 . . . . 0.0 111.699 -177.673 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.661 HG11 HG12 ' B' ' 65' ' ' VAL . 13.7 p -91.23 163.39 2.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 N-CA-C 110.036 -0.357 . . . . 0.0 110.036 178.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 71' ' ' SER . . . . . 0.4 ' N ' HG22 ' B' ' 70' ' ' VAL . 38.1 t -61.69 136.74 58.12 Favored 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 109.079 -0.712 . . . . 0.0 109.079 172.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 19.3 m -55.5 -41.85 73.64 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 112.59 0.589 . . . . 0.0 112.59 -173.068 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -85.1 -23.38 28.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.936 0.398 . . . . 0.0 110.385 -176.852 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 74' ' ' GLU . . . . . 0.446 ' HA ' ' CE1' ' B' ' 23' ' ' TYR . 34.3 tt0 -72.5 -30.56 64.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.128 0.49 . . . . 0.0 109.927 176.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 75' ' ' ALA . . . . . 0.406 ' HB2' ' CG1' ' B' ' 70' ' ' VAL . . . -59.94 -32.52 70.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.471 -0.786 . . . . 0.0 111.264 178.752 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 76' ' ' LEU . . . . . 0.544 HD23 ' HB3' ' B' ' 118' ' ' TYR . 2.8 tm? -57.42 -53.78 54.31 Favored 'General case' 0 CA--C 1.517 -0.298 0 N-CA-C 109.684 -0.487 . . . . 0.0 109.684 177.54 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 77' ' ' ILE . . . . . 0.754 ' O ' ' HG ' ' B' ' 81' ' ' LEU . 37.7 mm -62.15 -54.47 33.96 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.905 -178.215 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 78' ' ' GLN . . . . . 0.43 ' HG2' HG11 ' B' ' 65' ' ' VAL . 33.6 tp60 -52.5 -49.71 64.22 Favored 'General case' 0 C--N 1.33 -0.259 0 O-C-N 123.193 0.308 . . . . 0.0 111.1 179.401 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.65 -40.15 94.94 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.917 -178.517 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 80' ' ' LEU . . . . . 0.569 ' O ' HD23 ' B' ' 84' ' ' LEU . 2.0 mm? -62.4 -45.64 92.23 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.65 177.413 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 81' ' ' LEU . . . . . 0.754 ' HG ' ' O ' ' B' ' 77' ' ' ILE . 55.4 mt -62.43 -39.31 92.89 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.82 0.343 . . . . 0.0 110.767 -178.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -62.69 -44.62 95.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.936 0.398 . . . . 0.0 110.26 174.753 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 83' ' ' LEU . . . . . 0.512 HD22 HG12 ' B' ' 58' ' ' ILE . 43.9 tp -61.04 -44.69 97.02 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.21 177.298 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 84' ' ' LEU . . . . . 0.725 HD21 HD21 ' A' ' 84' ' ' LEU . 3.9 mm? -60.27 -13.88 15.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.617 -0.72 . . . . 0.0 111.752 -178.8 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 85' ' ' SER . . . . . 0.424 ' OG ' HD13 ' A' ' 108' ' ' LEU . 20.4 m -98.52 -27.17 14.16 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.786 0.327 . . . . 0.0 111.075 -177.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -73.19 -44.03 60.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.318 0.58 . . . . 0.0 110.625 -176.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 87' ' ' LEU . . . . . 0.477 ' HG ' ' O ' ' B' ' 83' ' ' LEU . 1.0 OUTLIER -80.6 -14.25 58.35 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.409 -0.814 . . . . 0.0 112.689 -172.754 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 88' ' ' VAL . . . . . 0.448 HG11 HD11 ' A' ' 54' ' ' LEU . 16.0 m -93.46 -26.3 4.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 C-N-CA 120.554 -0.458 . . . . 0.0 110.895 176.86 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 89' ' ' HIS . . . . . . . . . . . . . 46.8 t60 -68.07 -34.69 76.89 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.069 0.461 . . . . 0.0 109.891 179.34 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 90' ' ' VAL . . . . . . . . . . . . . 33.5 m -65.48 -25.96 38.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.44 -176.438 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 91' ' ' LEU . . . . . 0.628 ' HA ' ' HB3' ' B' ' 94' ' ' ALA . 3.8 mm? -65.95 -24.51 66.82 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.622 -0.263 . . . . 0.0 111.232 -179.269 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 11.0 t -62.63 -30.54 71.43 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.086 0.469 . . . . 0.0 110.365 179.804 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 93' ' ' SER . . . . . 0.516 ' HB2' HG12 ' A' ' 99' ' ' VAL . 20.4 m -112.63 9.49 19.34 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.294 0.568 . . . . 0.0 110.394 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 94' ' ' ALA . . . . . 0.628 ' HB3' ' HA ' ' B' ' 91' ' ' LEU . . . -107.15 93.58 4.63 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.592 179.822 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 16.8 m -70.01 84.04 0.51 Allowed 'General case' 0 N--CA 1.429 -1.505 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.502 177.322 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 96' ' ' ILE . . . . . 0.766 HD13 ' HB1' ' A' ' 47' ' ' ALA . 20.1 tt -67.91 145.24 13.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.496 -0.775 . . . . 0.0 111.462 -176.749 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 97' ' ' GLY . . . . . . . . . . . . . . . -97.31 -108.64 2.62 Favored Glycine 0 N--CA 1.444 -0.799 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.15 178.184 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 98' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -115.51 115.19 26.08 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.678 0.275 . . . . 0.0 110.421 -176.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 99' ' ' VAL . . . . . 0.646 HG12 ' HB2' ' A' ' 93' ' ' SER . 3.0 m -103.65 115.37 45.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-O 121.139 0.495 . . . . 0.0 110.648 176.313 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 100' ' ' SER . . . . . . . . . . . . . 19.7 m -84.69 149.42 25.81 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.96 178.283 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 23.0 m -79.37 21.85 0.46 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.935 0.397 . . . . 0.0 111.336 -178.498 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 48.7 t -117.22 119.93 63.42 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.465 0 CA-C-O 120.973 0.416 . . . . 0.0 110.614 -176.136 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . 119.52 -12.61 11.07 Favored Glycine 0 N--CA 1.446 -0.666 0 CA-C-N 115.79 -0.641 . . . . 0.0 112.074 179.122 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 104' ' ' VAL . . . . . . . . . . . . . 26.4 t -60.44 -30.39 46.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 120.585 0.231 . . . . 0.0 110.716 -179.412 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -50.26 -42.07 51.44 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.704 179.534 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 8.8 m -72.07 -28.01 63.05 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 115.476 -0.784 . . . . 0.0 111.097 -178.561 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 18.1 m -73.33 -33.63 65.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.114 -176.309 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 108' ' ' LEU . . . . . 0.614 ' O ' ' HG3' ' B' ' 112' ' ' GLN . 4.2 mm? -58.84 -31.06 68.17 Favored 'General case' 0 C--O 1.223 -0.312 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.208 175.062 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 109' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -72.49 -23.36 61.02 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.602 -178.474 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 110' ' ' VAL . . . . . . . . . . . . . 17.6 t -86.28 -38.73 12.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.868 -177.032 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 111' ' ' VAL . . . . . 0.528 HG12 ' O ' ' B' ' 108' ' ' LEU . 10.1 p -61.78 -33.27 56.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 121.052 0.453 . . . . 0.0 110.096 179.636 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 112' ' ' GLN . . . . . 0.614 ' HG3' ' O ' ' B' ' 108' ' ' LEU . 23.3 mt-30 -64.33 -30.08 71.14 Favored 'General case' 0 CA--C 1.517 -0.303 0 CA-C-O 121.538 0.685 . . . . 0.0 110.239 179.17 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 113' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -79.18 -33.62 43.81 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 114.898 -1.046 . . . . 0.0 110.323 -177.329 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 114' ' ' SER . . . . . 0.425 ' OG ' ' HD3' ' B' ' 55' ' ' PRO . 11.5 m -79.97 -42.42 23.98 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 114.833 -1.076 . . . . 0.0 111.828 -171.641 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 115' ' ' VAL . . . . . 0.48 HG12 ' O ' ' B' ' 111' ' ' VAL . 14.5 p -118.82 -15.17 8.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 N-CA-C 112.109 0.411 . . . . 0.0 112.109 -172.007 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 116' ' ' GLY . . . . . . . . . . . . . . . -64.27 -18.01 62.36 Favored Glycine 0 C--O 1.229 -0.183 0 C-N-CA 120.846 -0.692 . . . . 0.0 113.355 -175.704 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -94.12 -3.81 50.39 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.762 0.315 . . . . 0.0 111.135 178.698 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 118' ' ' TYR . . . . . 0.544 ' HB3' HD23 ' B' ' 76' ' ' LEU . 96.7 m-85 -104.58 -24.32 13.0 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.981 0.42 . . . . 0.0 110.344 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 119' ' ' VAL . . . . . 0.457 ' O ' ' HB3' ' A' ' 22' ' ' SER . 27.7 m -85.32 -6.82 10.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.55 173.862 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.421 -1.211 . . . . 0.0 111.671 178.953 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.672 0 N-CA-C 111.783 -0.527 . . . . 0.0 111.783 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 32.8 t -164.38 -51.27 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 177.742 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . 127.86 34.05 0.57 Allowed Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.07 -179.506 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' -2' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -57.74 112.29 1.41 Allowed 'General case' 0 C--O 1.234 0.286 0 CA-C-O 121.024 0.44 . . . . 0.0 109.911 179.008 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' -1' ' ' SER . . . . . 0.438 ' CA ' ' HA2' ' B' ' 4' ' ' GLY . 3.4 p -130.67 119.45 22.43 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 121.17 0.51 . . . . 0.0 111.998 -173.383 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 60.1 t -128.53 113.08 28.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.204 -0.907 . . . . 0.0 108.61 174.251 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 6.9 t -76.11 -19.36 58.6 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.179 0.514 . . . . 0.0 110.824 -174.703 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.444 ' O ' ' HB2' ' B' ' -2' ' ' ASN . 43.7 t -83.71 74.07 10.2 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-O 121.062 0.458 . . . . 0.0 110.248 176.443 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -174.99 -141.9 3.86 Favored Glycine 0 N--CA 1.448 -0.528 0 C-N-CA 121.046 -0.597 . . . . 0.0 111.79 179.465 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.432 ' HA2' ' H ' ' A' ' 20' ' ' ALA . . . 73.1 -89.8 0.59 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.667 177.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.435 ' HB2' HG22 ' A' ' 10' ' ' THR . 36.9 p90 -61.28 -19.89 62.25 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 122.69 0.396 . . . . 0.0 111.494 -178.337 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -66.24 -25.74 72.42 Favored Glycine 0 CA--C 1.521 0.459 0 CA-C-N 116.258 -0.428 . . . . 0.0 113.53 -176.691 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -73.35 -26.32 60.98 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 121.477 0.656 . . . . 0.0 110.459 176.799 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 134.07 116.63 1.69 Allowed Glycine 0 N--CA 1.439 -1.122 0 N-CA-C 110.064 -1.214 . . . . 0.0 110.064 -172.224 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.435 HG22 ' HB2' ' A' ' 6' ' ' TYR . 32.5 p -77.11 -1.98 31.93 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.124 0.488 . . . . 0.0 111.337 -172.896 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 51.1 m -141.2 115.92 9.67 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.318 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -152.86 130.83 11.78 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.602 179.369 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -75.3 63.95 1.44 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.999 0.428 . . . . 0.0 111.891 -175.678 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -166.37 174.93 8.58 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.184 178.108 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.705 ' HA3' ' H ' ' A' ' 25' ' ' GLY . . . -144.46 -162.94 9.73 Favored Glycine 0 N--CA 1.445 -0.707 0 C-N-CA 119.725 -1.226 . . . . 0.0 113.447 -177.182 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.441 ' HA ' ' OE1' ' A' ' 74' ' ' GLU . . . 59.79 67.5 0.87 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.171 0.51 . . . . 0.0 111.754 175.369 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 82.85 20.67 60.87 Favored Glycine 0 CA--C 1.523 0.553 0 CA-C-N 115.68 -0.691 . . . . 0.0 114.132 177.182 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -61.86 -51.08 76.94 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.514 0 CA-C-N 117.285 0.543 . . . . 0.0 111.286 177.131 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -136.21 134.9 38.64 Favored 'General case' 0 C--N 1.315 -0.933 0 N-CA-C 108.158 -1.052 . . . . 0.0 108.158 176.811 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.432 ' H ' ' HA2' ' A' ' 5' ' ' GLY . . . -58.77 -15.79 13.82 Favored 'General case' 0 C--N 1.317 -0.82 0 N-CA-C 112.633 0.605 . . . . 0.0 112.633 -174.626 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -123.77 11.77 8.32 Favored Glycine 0 CA--C 1.522 0.469 0 C-N-CA 120.468 -0.872 . . . . 0.0 113.156 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.8 m -162.03 133.31 5.23 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 117.005 0.402 . . . . 0.0 111.29 -178.648 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.509 ' CE1' ' HA ' ' A' ' 74' ' ' GLU . 0.0 OUTLIER -152.77 132.53 13.18 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.03 -177.385 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.436 ' HA ' HG23 ' A' ' 27' ' ' VAL . . . -96.19 -13.07 23.78 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.661 179.225 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.705 ' H ' ' HA3' ' A' ' 15' ' ' GLY . . . -64.46 -33.6 87.68 Favored Glycine 0 CA--C 1.508 -0.364 0 C-N-CA 120.703 -0.761 . . . . 0.0 111.52 -179.155 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.61 ' HB1' ' HB2' ' A' ' 78' ' ' GLN . . . -66.29 -13.84 61.08 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.177 -0.511 . . . . 0.0 110.79 175.113 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.513 HG22 ' CD1' ' A' ' 81' ' ' LEU . 2.7 t -100.01 -43.84 11.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.941 -177.165 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 29.7 m120 -62.23 -38.95 91.17 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 120.724 -0.391 . . . . 0.0 111.047 -176.783 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.414 ' HD3' ' OE1' ' A' ' 78' ' ' GLN . 13.6 ptm180 -69.97 -3.51 16.47 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.645 -176.639 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.543 ' HB3' HD12 ' B' ' 108' ' ' LEU . 88.3 mt -68.85 -27.64 66.0 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.998 0.428 . . . . 0.0 110.604 178.371 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 32.6 p -75.46 -3.44 33.91 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.971 -179.731 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 41.7 t -86.31 168.49 13.83 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.624 178.528 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -68.19 -10.32 53.47 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.802 179.757 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.408 ' CD ' HH21 ' A' ' 29' ' ' ARG . 32.9 mt-10 -56.73 -65.0 0.69 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.396 178.284 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.409 ' O ' HG23 ' A' ' 39' ' ' VAL . . . -63.1 -50.71 69.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.714 -0.676 . . . . 0.0 111.363 -179.181 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.07 -8.94 3.75 Favored 'General case' 0 N--CA 1.466 0.332 0 N-CA-C 112.417 0.525 . . . . 0.0 112.417 -176.095 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 32.4 t -92.6 -31.24 15.24 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 120.81 0.338 . . . . 0.0 110.986 175.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 58.7 mtp85 -97.98 -41.86 7.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.286 0.565 . . . . 0.0 110.184 -173.395 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.448 HG13 ' HB2' ' A' ' 86' ' ' ALA . 67.6 t -58.81 -49.86 81.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-N 115.092 -0.958 . . . . 0.0 110.58 177.756 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.7 m -69.68 -6.46 31.77 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.492 -0.776 . . . . 0.0 111.993 -177.05 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 25.1 t -94.69 -17.32 22.34 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.172 0.511 . . . . 0.0 110.141 179.509 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 44.8 m-80 -113.23 0.63 14.94 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.196 -175.371 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.404 HG13 ' N ' ' A' ' 44' ' ' ALA . 3.1 pt -59.46 -41.62 85.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.098 177.894 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.404 ' N ' HG13 ' A' ' 43' ' ' ILE . . . -77.71 -12.46 59.97 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.922 0.391 . . . . 0.0 110.998 -177.682 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -80.94 -53.86 6.08 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.213 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 48.4 mt -64.98 -35.45 75.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.52 -179.399 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.803 ' HB1' HD13 ' B' ' 96' ' ' ILE . . . -59.53 -28.28 66.95 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.268 179.632 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 34.1 m -89.62 -32.27 17.17 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.67 -0.696 . . . . 0.0 111.64 -175.578 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -98.93 -56.99 0.99 Allowed Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.548 -0.834 . . . . 0.0 112.463 -178.352 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 105.47 -83.4 0.37 Allowed Glycine 0 N--CA 1.442 -0.914 0 N-CA-C 110.58 -1.008 . . . . 0.0 110.58 -175.05 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -110.21 -24.2 10.82 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-O 121.227 0.537 . . . . 0.0 110.035 177.694 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 16.5 p -71.58 -15.2 62.26 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.858 -179.472 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -91.52 -16.4 27.28 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.761 -178.759 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.516 HD11 HG11 ' B' ' 88' ' ' VAL . 57.4 mt -56.94 -58.7 15.92 Favored Pre-proline 0 C--N 1.327 -0.401 0 CA-C-N 116.088 -0.506 . . . . 0.0 112.033 -175.155 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.467 ' HD3' ' OG ' ' A' ' 114' ' ' SER . 19.1 Cg_endo -59.65 -25.1 77.92 Favored 'Trans proline' 0 C--N 1.353 0.8 0 C-N-CA 121.998 1.798 . . . . 0.0 112.126 -176.565 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 12.4 m -83.77 -42.11 16.86 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.854 -179.418 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 75.9 t -77.44 -37.48 25.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.151 -174.885 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.518 HG12 HD22 ' A' ' 83' ' ' LEU . 71.2 mt -59.26 -38.97 77.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.122 175.234 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 10.8 t -67.85 -40.89 83.6 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.231 -0.441 . . . . 0.0 109.955 -179.716 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 -60.35 -38.68 84.58 Favored 'General case' 0 CA--C 1.52 -0.198 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.904 179.598 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.404 ' O ' HG23 ' A' ' 65' ' ' VAL . 71.8 mt -84.94 -50.16 15.03 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.856 -178.052 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.454 ' O ' HG23 ' A' ' 66' ' ' VAL . 51.9 t80 -54.17 -50.21 67.52 Favored 'General case' 0 N--CA 1.465 0.313 0 N-CA-C 111.611 0.226 . . . . 0.0 111.611 -175.32 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 16.5 t -63.23 -28.48 70.06 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.153 0.501 . . . . 0.0 110.27 -179.101 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -72.92 -41.62 48.22 Favored Glycine 0 N--CA 1.447 -0.569 0 N-CA-C 111.176 -0.77 . . . . 0.0 111.176 178.048 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.7 HG12 HG11 ' A' ' 70' ' ' VAL . 91.1 t -64.08 -47.76 88.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 115.269 -0.466 . . . . 0.0 110.911 178.034 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.454 HG23 ' O ' ' A' ' 62' ' ' TYR . 64.5 t -61.68 -35.35 66.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.854 -179.731 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -74.96 -2.1 25.59 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.738 179.067 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 30.7 t -87.53 -10.28 52.11 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.752 0.311 . . . . 0.0 110.526 178.01 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 89.37 32.05 10.92 Favored Glycine 0 C--N 1.329 0.193 0 C-N-CA 120.637 -0.792 . . . . 0.0 112.176 179.629 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.7 HG11 HG12 ' A' ' 65' ' ' VAL . 14.0 p -89.82 160.9 2.72 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 N-CA-C 110.137 -0.32 . . . . 0.0 110.137 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 42.8 t -55.87 139.47 45.78 Favored 'General case' 0 N--CA 1.451 -0.379 0 N-CA-C 109.895 -0.409 . . . . 0.0 109.895 173.248 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 20.4 m -57.58 -32.74 67.45 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.046 0.387 . . . . 0.0 112.046 -174.881 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -90.55 -33.31 15.95 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.709 -0.396 . . . . 0.0 110.507 -177.409 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.509 ' HA ' ' CE1' ' A' ' 23' ' ' TYR . 55.0 tt0 -69.31 -24.87 63.99 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-O 121.101 0.477 . . . . 0.0 110.65 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.403 ' HB2' HG13 ' A' ' 70' ' ' VAL . . . -57.46 -38.21 74.1 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.561 -0.745 . . . . 0.0 111.528 178.768 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.417 HD23 ' HB3' ' A' ' 118' ' ' TYR . 3.0 tm? -56.27 -48.18 77.09 Favored 'General case' 0 C--N 1.331 -0.203 0 O-C-N 123.24 0.337 . . . . 0.0 110.21 179.238 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.671 ' O ' ' HG ' ' A' ' 81' ' ' LEU . 32.3 mm -61.37 -55.57 23.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.984 -176.273 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' GLN . . . . . 0.61 ' HB2' ' HB1' ' A' ' 26' ' ' ALA . 20.1 tt0 -57.73 -46.6 84.23 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 120.609 0.242 . . . . 0.0 111.093 179.352 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -58.05 -39.11 77.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.55 -179.061 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.617 ' O ' HD23 ' A' ' 84' ' ' LEU . 2.7 mm? -68.95 -47.38 65.82 Favored 'General case' 0 N--CA 1.447 -0.575 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.137 176.214 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.749 HD22 HG11 ' B' ' 115' ' ' VAL . 14.3 mt -63.44 -38.66 91.99 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.638 0.256 . . . . 0.0 111.549 -174.523 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -60.4 -44.93 95.22 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.924 0.392 . . . . 0.0 110.368 172.512 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.518 HD22 HG12 ' A' ' 58' ' ' ILE . 32.9 tp -59.46 -44.43 92.99 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.88 176.601 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.631 HD21 HD21 ' B' ' 84' ' ' LEU . 3.8 mm? -60.85 -13.37 15.07 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.45 -0.795 . . . . 0.0 111.747 -178.349 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.461 ' OG ' HD13 ' B' ' 108' ' ' LEU . 19.5 m -98.38 -28.52 13.61 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.62 -0.264 . . . . 0.0 110.904 -178.922 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.448 ' HB2' HG13 ' A' ' 39' ' ' VAL . . . -70.04 -41.36 74.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.273 0.559 . . . . 0.0 110.503 -177.387 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.465 ' HG ' ' O ' ' A' ' 83' ' ' LEU . 1.1 pp -84.82 -15.6 44.27 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.486 -0.779 . . . . 0.0 112.777 -172.199 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.527 HG11 HD11 ' B' ' 54' ' ' LEU . 15.4 m -91.8 -28.95 4.63 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.294 0 C-N-CA 120.397 -0.521 . . . . 0.0 110.86 177.338 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 60.6 t60 -66.47 -35.99 81.64 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.919 0.39 . . . . 0.0 110.184 179.04 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.409 HG13 ' O ' ' A' ' 86' ' ' ALA . 31.4 m -64.59 -26.39 40.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.247 -176.826 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.591 ' HA ' ' HB3' ' A' ' 94' ' ' ALA . 3.5 mm? -67.02 -21.66 65.92 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.588 -0.278 . . . . 0.0 111.427 -179.292 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 32.8 t -64.25 -29.5 70.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.089 0.471 . . . . 0.0 110.173 178.416 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.627 ' HB2' HG12 ' B' ' 99' ' ' VAL . 57.3 m -110.52 -15.81 13.81 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.691 -178.153 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.591 ' HB3' ' HA ' ' A' ' 91' ' ' LEU . . . -83.91 101.21 11.51 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.481 -0.782 . . . . 0.0 111.059 178.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 11.8 t -76.51 93.47 3.55 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 176.37 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.688 HD13 ' HB1' ' B' ' 47' ' ' ALA . 19.6 tt -75.01 143.6 13.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.647 -177.623 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -97.11 -106.23 2.38 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.879 -0.677 . . . . 0.0 112.804 -179.526 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -120.03 110.26 16.47 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.773 0.32 . . . . 0.0 110.902 -176.24 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.552 ' CG1' HD11 ' A' ' 96' ' ' ILE . 4.7 m -95.64 140.89 16.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.771 177.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 27.2 m -98.02 152.13 19.6 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.475 -179.391 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 44.3 m -87.23 4.87 40.88 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.007 0.432 . . . . 0.0 110.269 178.639 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 7.1 p -110.95 132.89 58.19 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.596 0 CA-C-O 121.292 0.568 . . . . 0.0 109.647 -179.515 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 109.7 -16.8 30.96 Favored Glycine 0 N--CA 1.446 -0.699 0 CA-C-N 115.506 -0.77 . . . . 0.0 111.755 -179.026 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.449 ' O ' HD23 ' A' ' 108' ' ' LEU . 17.9 t -59.59 -32.67 49.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-O 120.894 0.378 . . . . 0.0 110.027 177.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -50.32 -38.13 40.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.275 -0.875 . . . . 0.0 111.064 178.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 17.9 m -81.39 -27.09 34.96 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.141 -178.343 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 23.3 m -70.32 -32.4 70.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.062 0.458 . . . . 0.0 110.031 -179.626 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.736 HD12 ' HB3' ' B' ' 30' ' ' LEU . 4.6 mm? -58.02 -27.69 63.78 Favored 'General case' 0 C--O 1.221 -0.418 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.493 174.897 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -74.19 -27.82 60.99 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.042 0.449 . . . . 0.0 110.502 -178.536 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 15.9 t -81.23 -37.2 15.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.518 -176.707 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.539 HG12 ' O ' ' A' ' 108' ' ' LEU . 9.5 p -64.48 -32.25 56.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.223 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 112' ' ' GLN . . . . . 0.636 ' HG3' ' O ' ' A' ' 108' ' ' LEU . 22.4 mt-30 -66.4 -24.81 66.54 Favored 'General case' 0 CA--C 1.519 -0.218 0 CA-C-O 121.294 0.569 . . . . 0.0 110.207 179.38 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -85.26 -33.49 22.16 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.312 -0.858 . . . . 0.0 109.936 -177.67 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' SER . . . . . 0.467 ' OG ' ' HD3' ' A' ' 55' ' ' PRO . 15.1 m -77.63 -46.75 21.11 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 114.941 -1.027 . . . . 0.0 111.728 -173.023 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.468 HG12 ' O ' ' A' ' 111' ' ' VAL . 12.0 p -112.24 -19.61 6.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.617 -174.156 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -57.67 -31.47 63.9 Favored Glycine 0 C--O 1.228 -0.248 0 C-N-CA 121.202 -0.523 . . . . 0.0 112.769 -178.306 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -82.68 -3.33 56.19 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 111.965 0.357 . . . . 0.0 111.965 -179.595 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' TYR . . . . . 0.417 ' HB3' HD23 ' A' ' 76' ' ' LEU . 96.2 m-85 -107.96 -26.28 10.78 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.8 0.333 . . . . 0.0 110.338 178.095 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.413 ' O ' ' HB3' ' B' ' 22' ' ' SER . 33.4 m -92.51 -4.23 10.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-O 121.181 0.515 . . . . 0.0 110.615 175.017 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.811 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.904 179.518 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.01 -0.436 . . . . 0.0 112.01 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' -4' ' ' SER . . . . . . . . . . . . . 13.3 m -103.35 15.33 29.38 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.11 0.481 . . . . 0.0 110.565 -179.627 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' -3' ' ' GLY . . . . . . . . . . . . . . . 77.15 44.77 12.77 Favored Glycine 0 N--CA 1.449 -0.485 0 N-CA-C 111.096 -0.801 . . . . 0.0 111.096 -176.285 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' -2' ' ' ASN . . . . . 0.444 ' HB2' ' O ' ' A' ' 3' ' ' SER . 1.4 m-20 -60.46 127.29 30.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.329 -0.435 . . . . 0.0 110.983 -176.114 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' -1' ' ' SER . . . . . . . . . . . . . 4.0 p -92.17 71.01 5.36 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.395 0.617 . . . . 0.0 109.936 177.068 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 57.8 t -123.9 139.92 48.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.417 -177.845 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 2' ' ' THR . . . . . 0.448 ' O ' HG23 ' B' ' 2' ' ' THR . 9.8 t -107.05 84.59 2.0 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 122.114 0.959 . . . . 0.0 110.39 177.649 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 59.2 m -159.21 176.61 11.99 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.268 -0.878 . . . . 0.0 109.254 179.779 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 4' ' ' GLY . . . . . 0.438 ' HA2' ' CA ' ' A' ' -1' ' ' SER . . . 107.26 -156.36 15.97 Favored Glycine 0 N--CA 1.448 -0.541 0 C-N-CA 120.125 -1.036 . . . . 0.0 112.901 175.81 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 5' ' ' GLY . . . . . 0.604 ' HA2' ' HB1' ' B' ' 19' ' ' ALA . . . 82.92 -105.64 2.68 Favored Glycine 0 N--CA 1.443 -0.88 0 C-N-CA 120.975 -0.631 . . . . 0.0 113.016 176.324 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 6' ' ' TYR . . . . . . . . . . . . . 49.6 p90 -57.9 -25.9 61.43 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 112.666 0.617 . . . . 0.0 112.666 -172.662 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -68.1 -27.97 73.52 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.953 -0.641 . . . . 0.0 113.573 -175.071 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 81.4 m-85 -83.24 3.08 32.69 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.995 0.426 . . . . 0.0 110.792 -178.858 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 107.39 102.88 2.83 Favored Glycine 0 N--CA 1.437 -1.237 0 N-CA-C 111.162 -0.775 . . . . 0.0 111.162 -176.726 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 58.2 p -58.6 -35.48 72.49 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.458 0.647 . . . . 0.0 110.982 -177.36 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 35.0 m -98.23 83.03 3.01 Favored 'General case' 0 N--CA 1.445 -0.678 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.471 178.168 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -108.99 137.96 46.09 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.678 178.777 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -92.76 11.34 27.25 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.217 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -115.43 179.62 3.91 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.075 179.529 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 15' ' ' GLY . . . . . 0.696 ' HA3' ' H ' ' B' ' 25' ' ' GLY . . . -147.81 -170.02 15.52 Favored Glycine 0 N--CA 1.445 -0.702 0 C-N-CA 120.202 -0.999 . . . . 0.0 113.001 -177.097 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . 69.3 -60.84 0.45 Allowed 'General case' 0 C--N 1.337 0.057 0 C-N-CA 123.675 0.79 . . . . 0.0 112.836 177.318 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -129.73 52.81 0.82 Allowed Glycine 0 N--CA 1.446 -0.655 0 C-N-CA 120.889 -0.672 . . . . 0.0 112.056 -179.112 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 18' ' ' VAL . . . . . 0.532 HG23 ' H ' ' B' ' 19' ' ' ALA . 0.7 OUTLIER -102.36 -64.84 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 120.842 0.354 . . . . 0.0 111.318 177.799 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 19' ' ' ALA . . . . . 0.604 ' HB1' ' HA2' ' B' ' 5' ' ' GLY . . . -120.62 154.62 35.21 Favored 'General case' 0 N--CA 1.444 -0.744 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 -178.691 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.13 -34.91 79.13 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 120.645 0.26 . . . . 0.0 111.651 -175.544 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -129.06 27.07 4.35 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.331 -179.806 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 22' ' ' SER . . . . . 0.477 ' O ' ' HB3' ' B' ' 19' ' ' ALA . 40.1 m -154.5 129.09 9.23 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-O 120.885 0.374 . . . . 0.0 110.872 179.06 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 23' ' ' TYR . . . . . 0.435 ' CE1' ' HA ' ' B' ' 74' ' ' GLU . 0.0 OUTLIER -152.91 135.41 15.15 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.205 -0.452 . . . . 0.0 109.783 -178.841 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 24' ' ' ALA . . . . . 0.481 ' HA ' HG23 ' B' ' 27' ' ' VAL . . . -94.28 -13.15 26.8 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.457 -178.293 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 25' ' ' GLY . . . . . 0.696 ' H ' ' HA3' ' B' ' 15' ' ' GLY . . . -62.54 -34.61 89.99 Favored Glycine 0 N--CA 1.453 -0.207 0 C-N-CA 120.622 -0.799 . . . . 0.0 111.658 -177.757 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 26' ' ' ALA . . . . . 0.644 ' HB1' ' HB2' ' B' ' 78' ' ' GLN . . . -65.62 -26.05 67.65 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.232 0.539 . . . . 0.0 110.799 176.627 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 27' ' ' VAL . . . . . 0.49 HG22 HD11 ' B' ' 81' ' ' LEU . 2.3 t -86.63 -40.41 14.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-O 121.605 0.717 . . . . 0.0 110.539 -174.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 69.1 m-20 -69.47 -17.22 63.6 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.759 -172.882 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 29' ' ' ARG . . . . . 0.42 HH21 ' CD ' ' B' ' 34' ' ' GLU . 12.6 ptm180 -95.83 6.86 47.87 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.871 0.367 . . . . 0.0 110.934 -178.749 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 30' ' ' LEU . . . . . 0.736 ' HB3' HD12 ' A' ' 108' ' ' LEU . 98.8 mt -75.78 -25.93 56.88 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.899 0.381 . . . . 0.0 110.872 -179.027 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 13.7 p -73.6 -2.9 24.87 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.225 0.536 . . . . 0.0 110.769 178.879 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 68.3 m -85.01 157.83 20.65 Favored 'General case' 0 N--CA 1.443 -0.824 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.756 178.456 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.56 -24.14 66.44 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.369 -179.674 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 34' ' ' GLU . . . . . 0.42 ' CD ' HH21 ' B' ' 29' ' ' ARG . 28.9 mt-10 -50.4 -57.74 7.29 Favored 'General case' 0 CA--C 1.521 -0.157 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.818 178.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 35' ' ' ALA . . . . . 0.635 ' O ' HG23 ' B' ' 39' ' ' VAL . . . -63.8 -61.07 2.53 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.868 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -48.64 -35.18 13.18 Favored 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 112.592 0.59 . . . . 0.0 112.592 -174.503 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 30.1 t -69.94 -27.65 64.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.712 0.291 . . . . 0.0 111.41 -178.021 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 58.4 mtp85 -96.0 -39.97 9.5 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.646 0.736 . . . . 0.0 109.671 -176.702 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 39' ' ' VAL . . . . . 0.635 HG23 ' O ' ' B' ' 35' ' ' ALA . 39.7 t -61.48 -42.4 93.75 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.762 0 CA-C-N 114.594 -1.185 . . . . 0.0 110.676 179.633 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 78.4 p -74.19 -8.27 55.61 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.993 0.425 . . . . 0.0 111.271 179.73 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 30.6 t -90.66 -17.59 26.55 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.09 0.472 . . . . 0.0 110.319 -179.713 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 46.4 m-80 -114.2 -2.83 13.29 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.281 -175.319 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 43' ' ' ILE . . . . . 0.49 HG23 ' O ' ' B' ' 39' ' ' VAL . 4.0 pt -57.87 -41.86 80.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.991 0.424 . . . . 0.0 111.07 178.173 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 44' ' ' ALA . . . . . 0.456 ' N ' HG13 ' B' ' 43' ' ' ILE . . . -77.2 -14.14 59.82 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.034 0.445 . . . . 0.0 111.015 -176.056 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -81.83 -51.27 8.29 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.365 -179.611 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 46' ' ' ILE . . . . . 0.475 HG21 ' HB3' ' B' ' 87' ' ' LEU . 34.9 mt -67.67 -32.74 58.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.213 179.683 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 47' ' ' ALA . . . . . 0.688 ' HB1' HD13 ' A' ' 96' ' ' ILE . . . -65.2 -16.56 63.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.511 178.558 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 47.1 m -106.96 -31.07 8.48 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.632 -177.009 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -97.53 -28.59 8.35 Favored Glycine 0 N--CA 1.453 -0.218 0 C-N-CA 120.545 -0.836 . . . . 0.0 112.957 -179.19 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 76.98 -73.41 1.96 Allowed Glycine 0 N--CA 1.448 -0.551 0 N-CA-C 111.664 -0.574 . . . . 0.0 111.664 -178.545 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -120.58 -28.75 4.87 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 120.869 0.366 . . . . 0.0 110.874 -179.394 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 11.3 p -73.91 -10.05 59.26 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.014 0.435 . . . . 0.0 111.206 -176.032 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -89.56 -15.78 32.13 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.559 179.651 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 54' ' ' LEU . . . . . 0.527 HD11 HG11 ' A' ' 88' ' ' VAL . 38.4 mt -56.38 -59.17 12.82 Favored Pre-proline 0 C--N 1.327 -0.385 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.846 -176.81 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 55' ' ' PRO . . . . . 0.438 ' HD2' ' N ' ' B' ' 54' ' ' LEU . 15.8 Cg_endo -57.72 -25.59 69.04 Favored 'Trans proline' 0 C--N 1.353 0.773 0 C-N-CA 122.272 1.981 . . . . 0.0 112.335 -177.059 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 14.9 m -86.76 -42.65 13.16 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.142 -178.763 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 77.6 t -77.52 -37.6 24.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.978 0.418 . . . . 0.0 110.543 -174.319 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 58' ' ' ILE . . . . . 0.473 HG12 ' HG ' ' B' ' 83' ' ' LEU . 67.4 mt -57.95 -38.16 64.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.806 174.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 23.1 t -69.91 -42.84 72.81 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.269 179.676 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 96.1 m-20 -55.99 -47.76 77.12 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.832 179.524 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 61' ' ' ILE . . . . . 0.429 ' O ' HG23 ' B' ' 65' ' ' VAL . 54.5 mt -75.48 -47.5 34.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 115.521 -0.763 . . . . 0.0 111.583 -177.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 62' ' ' TYR . . . . . 0.432 ' O ' HG23 ' B' ' 66' ' ' VAL . 51.1 t80 -52.62 -50.03 63.93 Favored 'General case' 0 N--CA 1.467 0.388 0 O-C-N 123.087 0.242 . . . . 0.0 111.21 -177.635 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 29.8 t -60.77 -30.52 70.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.499 -179.756 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -74.58 -40.21 39.23 Favored Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 120.4 -0.905 . . . . 0.0 111.155 179.038 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 65' ' ' VAL . . . . . 0.705 HG12 HG11 ' B' ' 70' ' ' VAL . 98.0 t -63.19 -47.4 92.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-N 115.171 -0.514 . . . . 0.0 110.912 178.517 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 66' ' ' VAL . . . . . 0.432 HG23 ' O ' ' B' ' 62' ' ' TYR . 68.6 t -62.14 -37.9 79.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.609 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -70.47 -5.87 31.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.869 178.648 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 30.7 t -89.22 -5.37 57.71 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-O 120.894 0.378 . . . . 0.0 110.706 179.162 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 84.6 29.59 29.29 Favored Glycine 0 C--N 1.33 0.242 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.328 178.118 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.705 HG11 HG12 ' B' ' 65' ' ' VAL . 14.1 p -78.64 164.98 3.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 115.592 -0.304 . . . . 0.0 110.245 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 71' ' ' SER . . . . . 0.429 ' N ' HG22 ' B' ' 70' ' ' VAL . 45.4 t -61.87 139.05 58.4 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 172.475 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 10.0 m -52.68 -38.55 60.71 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 112.378 0.51 . . . . 0.0 112.378 -174.056 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -89.69 -30.95 17.72 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.791 0.329 . . . . 0.0 110.52 -175.883 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 74' ' ' GLU . . . . . 0.435 ' HA ' ' CE1' ' B' ' 23' ' ' TYR . 45.0 tt0 -70.24 -24.47 63.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.875 0.369 . . . . 0.0 110.61 179.608 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -54.93 -37.99 67.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.811 -0.632 . . . . 0.0 111.485 178.096 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 76' ' ' LEU . . . . . 0.474 HD23 ' HB3' ' B' ' 118' ' ' TYR . 2.8 tm? -57.49 -48.16 79.97 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 177.054 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 77' ' ' ILE . . . . . 0.716 ' O ' ' HG ' ' B' ' 81' ' ' LEU . 37.5 mm -64.1 -55.19 23.4 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-N 115.453 -0.794 . . . . 0.0 111.259 -176.127 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 78' ' ' GLN . . . . . 0.644 ' HB2' ' HB1' ' B' ' 26' ' ' ALA . 28.6 tt0 -56.59 -45.56 81.3 Favored 'General case' 0 N--CA 1.464 0.269 0 C-N-CA 120.871 -0.332 . . . . 0.0 111.134 179.297 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -57.18 -44.04 83.2 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.982 0.42 . . . . 0.0 110.624 178.649 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 80' ' ' LEU . . . . . 0.588 ' O ' HD23 ' B' ' 84' ' ' LEU . 3.5 mm? -68.26 -38.85 82.18 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.476 177.725 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 81' ' ' LEU . . . . . 0.716 ' HG ' ' O ' ' B' ' 77' ' ' ILE . 81.1 mt -60.84 -47.48 86.17 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.904 0.383 . . . . 0.0 110.979 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 57.7 mt-10 -64.96 -37.82 88.91 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.637 177.495 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 83' ' ' LEU . . . . . 0.473 ' HG ' HG12 ' B' ' 58' ' ' ILE . 3.4 tm? -60.48 -46.06 91.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.725 -0.671 . . . . 0.0 109.914 176.07 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 84' ' ' LEU . . . . . 0.631 HD21 HD21 ' A' ' 84' ' ' LEU . 4.0 mm? -68.67 -7.96 38.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.844 -178.759 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 42.1 m -95.43 -34.84 11.95 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 120.86 0.362 . . . . 0.0 110.703 -178.715 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 86' ' ' ALA . . . . . 0.403 ' O ' HG13 ' B' ' 90' ' ' VAL . . . -67.9 -44.46 76.9 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.083 -176.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 87' ' ' LEU . . . . . 0.489 HD12 HG13 ' B' ' 88' ' ' VAL . 1.2 pp -79.6 -16.78 55.24 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 113.16 0.8 . . . . 0.0 113.16 -171.932 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 88' ' ' VAL . . . . . 0.516 HG11 HD11 ' A' ' 54' ' ' LEU . 16.9 m -91.64 -26.02 5.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 C-N-CA 120.228 -0.589 . . . . 0.0 110.735 177.253 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 89' ' ' HIS . . . . . 0.406 ' CD2' HG22 ' A' ' 104' ' ' VAL . 69.3 t60 -67.46 -36.25 80.8 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.063 177.545 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 90' ' ' VAL . . . . . 0.462 ' HB ' ' CD1' ' A' ' 96' ' ' ILE . 32.0 m -64.55 -25.9 39.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.517 -175.694 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 91' ' ' LEU . . . . . 0.686 ' HA ' ' HB3' ' B' ' 94' ' ' ALA . 3.1 mm? -68.43 -20.43 64.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.609 -0.269 . . . . 0.0 111.175 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 33.1 t -62.96 -31.41 72.51 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.054 0.454 . . . . 0.0 110.269 178.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 93' ' ' SER . . . . . 0.454 ' HB2' HG12 ' A' ' 99' ' ' VAL . 19.2 m -116.09 13.53 15.82 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.248 0.547 . . . . 0.0 110.305 -179.623 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 94' ' ' ALA . . . . . 0.686 ' HB3' ' HA ' ' B' ' 91' ' ' LEU . . . -109.29 98.83 8.19 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.65 179.232 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 16.8 t -75.24 93.42 2.84 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 177.322 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 96' ' ' ILE . . . . . 0.803 HD13 ' HB1' ' A' ' 47' ' ' ALA . 18.9 tt -71.59 144.85 12.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.711 -177.54 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 97' ' ' GLY . . . . . . . . . . . . . . . -92.03 -106.22 1.55 Allowed Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 120.974 -0.631 . . . . 0.0 112.245 179.517 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 98' ' ' ASN . . . . . . . . . . . . . 31.5 t-20 -126.1 109.82 12.81 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 110.148 -0.316 . . . . 0.0 110.148 -178.261 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 99' ' ' VAL . . . . . 0.627 HG12 ' HB2' ' A' ' 93' ' ' SER . 12.8 m -91.91 165.0 2.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.109 175.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 100' ' ' SER . . . . . . . . . . . . . 44.1 m -139.75 155.47 47.3 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 120.725 0.298 . . . . 0.0 110.664 -179.459 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 26.7 m -84.26 6.42 22.87 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.371 -176.652 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 4.8 p -98.35 113.94 34.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-O 121.562 0.696 . . . . 0.0 110.64 -179.425 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . 114.04 -9.43 23.02 Favored Glycine 0 N--CA 1.448 -0.563 0 CA-C-N 115.266 -0.879 . . . . 0.0 112.557 178.488 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 104' ' ' VAL . . . . . . . . . . . . . 46.5 t -62.2 -34.56 64.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 177.2 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -50.89 -43.54 59.72 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 121.741 0.781 . . . . 0.0 110.227 178.628 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 4.4 m -71.34 -25.93 62.6 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.011 -0.995 . . . . 0.0 111.09 -179.087 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 23.1 m -74.69 -34.05 62.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.899 0.38 . . . . 0.0 110.225 -177.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 108' ' ' LEU . . . . . 0.609 ' O ' HG12 ' B' ' 111' ' ' VAL . 4.3 mm? -58.46 -37.38 75.34 Favored 'General case' 0 C--O 1.226 -0.179 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.514 176.2 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 109' ' ' ASN . . . . . . . . . . . . . 19.0 m-80 -65.8 -25.32 67.19 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.497 -178.272 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 110' ' ' VAL . . . . . . . . . . . . . 24.3 t -86.74 -38.69 12.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.062 -177.112 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 111' ' ' VAL . . . . . 0.609 HG12 ' O ' ' B' ' 108' ' ' LEU . 8.8 p -61.46 -28.95 45.0 Favored 'Isoleucine or valine' 0 C--O 1.235 0.299 0 CA-C-O 121.249 0.547 . . . . 0.0 110.115 -179.516 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 112' ' ' GLN . . . . . 0.581 ' HG3' ' O ' ' B' ' 108' ' ' LEU . 25.3 mt-30 -63.85 -23.83 67.51 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.707 179.187 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 113' ' ' ASP . . . . . 0.433 ' O ' ' HG2' ' B' ' 117' ' ' GLN . 28.6 t70 -80.69 -38.87 28.14 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.578 -178.862 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 11.1 m -76.49 -36.94 57.54 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.302 -0.863 . . . . 0.0 112.223 -170.315 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 115' ' ' VAL . . . . . 0.749 HG11 HD22 ' A' ' 81' ' ' LEU . 12.9 p -112.07 -22.67 4.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-O 120.831 0.348 . . . . 0.0 111.385 -176.492 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 116' ' ' GLY . . . . . . . . . . . . . . . -63.87 -16.71 59.74 Favored Glycine 0 C--O 1.226 -0.392 0 CA-C-N 116.27 -0.423 . . . . 0.0 113.121 -176.841 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 117' ' ' GLN . . . . . 0.433 ' HG2' ' O ' ' B' ' 113' ' ' ASP . 2.6 pt20 -93.19 0.4 57.12 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.926 0.393 . . . . 0.0 111.432 178.626 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 118' ' ' TYR . . . . . 0.474 ' HB3' HD23 ' B' ' 76' ' ' LEU . 98.0 m-85 -113.63 -29.34 7.17 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.373 177.43 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 119' ' ' VAL . . . . . . . . . . . . . 34.6 m -93.09 -3.15 10.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.12 177.362 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.969 0 CA-C-O 118.039 -1.423 . . . . 0.0 110.931 -178.809 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.74 0 N-CA-C 111.673 -0.571 . . . . 0.0 111.673 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 37.7 m -79.2 94.82 5.47 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.142 0.496 . . . . 0.0 110.704 178.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . -78.82 90.44 1.17 Allowed Glycine 0 N--CA 1.448 -0.513 0 CA-C-N 115.715 -0.675 . . . . 0.0 112.379 -179.547 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' -2' ' ' ASN . . . . . . . . . . . . . 25.8 p-10 -88.61 -18.97 26.91 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.116 0.484 . . . . 0.0 110.542 178.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 2.6 p -93.44 88.66 6.02 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.206 0.527 . . . . 0.0 111.052 -179.528 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 30.0 t -87.02 94.98 4.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 177.149 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 37.3 p -92.51 -175.38 3.97 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.402 -175.61 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.1 m -69.62 -10.29 57.62 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.774 -176.71 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -134.08 6.97 4.75 Favored Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.151 176.546 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -81.2 52.96 4.59 Favored Glycine 0 CA--C 1.518 0.251 0 C-N-CA 121.133 -0.556 . . . . 0.0 112.977 -175.905 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.599 ' HA ' HG22 ' A' ' 10' ' ' THR . 17.9 p90 -161.64 -31.75 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 122.403 0.281 . . . . 0.0 111.009 -179.068 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 66.33 45.93 82.41 Favored Glycine 0 N--CA 1.446 -0.683 0 C-N-CA 120.43 -0.891 . . . . 0.0 112.0 178.506 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.486 ' HB3' ' O ' ' A' ' 18' ' ' VAL . 35.2 m-85 67.78 -48.96 0.52 Allowed 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 124.125 0.97 . . . . 0.0 111.968 -173.73 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -141.29 104.16 0.37 Allowed Glycine 0 N--CA 1.442 -0.963 0 N-CA-C 110.669 -0.972 . . . . 0.0 110.669 -176.652 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.599 HG22 ' HA ' ' A' ' 6' ' ' TYR . 27.6 p -57.7 -50.16 74.13 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-O 121.255 0.55 . . . . 0.0 112.022 -174.105 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 56.4 m -75.71 -25.47 56.67 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.525 -0.761 . . . . 0.0 111.421 -179.095 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . 68.56 124.32 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.284 0 O-C-N 123.966 0.791 . . . . 0.0 111.406 -176.364 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -134.21 -176.95 4.37 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.792 -175.12 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -83.1 17.92 1.85 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.196 0.522 . . . . 0.0 110.953 179.777 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.586 ' O ' ' HA3' ' A' ' 25' ' ' GLY . . . 112.81 103.52 2.64 Favored Glycine 0 N--CA 1.443 -0.845 0 C-N-CA 120.96 -0.638 . . . . 0.0 111.98 -179.843 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -168.13 96.18 0.42 Allowed 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 109.049 -0.722 . . . . 0.0 109.049 178.366 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 61.21 35.86 91.52 Favored Glycine 0 N--CA 1.45 -0.414 0 N-CA-C 111.276 -0.729 . . . . 0.0 111.276 -171.162 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.486 ' O ' ' HB3' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -72.96 -69.36 0.34 Allowed 'Isoleucine or valine' 0 C--O 1.225 -0.23 0 CA-C-O 120.752 0.31 . . . . 0.0 111.295 -176.673 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.479 ' HB3' ' HB2' ' A' ' 22' ' ' SER . . . -98.44 177.42 5.35 Favored 'General case' 0 C--N 1.316 -0.876 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 -178.31 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.88 -44.99 94.62 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.237 -178.078 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -139.07 27.47 2.66 Favored Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.931 -0.652 . . . . 0.0 111.832 -179.476 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.479 ' HB2' ' HB3' ' A' ' 19' ' ' ALA . 29.5 m -137.73 125.97 23.13 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 120.828 0.346 . . . . 0.0 110.303 179.365 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.535 ' CE1' ' HA ' ' A' ' 74' ' ' GLU . 0.1 OUTLIER -149.06 125.52 10.94 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.097 -0.501 . . . . 0.0 109.827 -177.786 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -83.86 -27.8 28.43 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.852 -176.878 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.586 ' HA3' ' O ' ' A' ' 15' ' ' GLY . . . -60.97 -31.65 77.2 Favored Glycine 0 CA--C 1.508 -0.375 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.276 -179.685 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.503 ' HB1' ' HB2' ' A' ' 78' ' ' GLN . . . -65.88 -17.35 64.59 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.213 0.53 . . . . 0.0 110.355 177.744 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.548 HG22 ' CD1' ' A' ' 81' ' ' LEU . 3.2 t -96.15 -45.1 13.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.314 -179.335 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 26.7 m120 -62.87 -32.19 73.37 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.685 -0.406 . . . . 0.0 110.395 -179.273 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.513 HH21 HG13 ' A' ' 65' ' ' VAL . 6.3 ttp85 -67.47 -7.49 25.97 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.759 -179.061 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.511 HD11 ' HB3' ' A' ' 81' ' ' LEU . 75.0 mt -76.15 -19.88 58.08 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.738 0.304 . . . . 0.0 111.015 -179.004 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 60.7 p -75.85 -10.4 59.4 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.023 0.44 . . . . 0.0 110.774 -178.863 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 34.9 t -78.0 155.91 30.45 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.154 179.318 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.01 -18.0 63.87 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.3 -178.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -58.08 -50.59 72.94 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.579 179.533 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.654 ' O ' HG23 ' A' ' 39' ' ' VAL . . . -62.49 -55.79 24.21 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.413 178.459 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.61 -35.8 32.02 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.678 -177.047 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 24.9 t -73.18 -20.67 60.84 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.088 -0.506 . . . . 0.0 112.113 -178.563 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.474 ' HD2' ' OE1' ' A' ' 82' ' ' GLU . 56.5 mtt180 -99.31 -51.24 3.86 Favored 'General case' 0 CA--C 1.514 -0.407 0 CA-C-O 121.868 0.842 . . . . 0.0 109.5 -178.849 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.654 HG23 ' O ' ' A' ' 35' ' ' ALA . 26.0 t -56.26 -41.26 69.91 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-N 114.081 -1.418 . . . . 0.0 111.191 -176.411 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.45 ' O ' HG12 ' A' ' 43' ' ' ILE . 91.7 p -78.85 -4.79 51.35 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.98 0.419 . . . . 0.0 111.559 -176.867 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 22.6 t -99.19 -5.98 29.02 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.109 0.48 . . . . 0.0 110.096 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.447 ' HB3' HG13 ' A' ' 57' ' ' VAL . 45.9 m-80 -117.27 -5.52 11.32 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.575 -178.587 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.495 HG13 ' N ' ' A' ' 44' ' ' ALA . 7.7 pt -58.15 -43.61 85.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.605 179.691 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.495 ' N ' HG13 ' A' ' 43' ' ' ILE . . . -75.92 -14.69 60.26 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.106 0.479 . . . . 0.0 110.94 -175.186 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -78.69 -49.55 12.93 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.789 178.764 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 36.6 mt -67.37 -33.98 65.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.132 179.289 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.784 ' HB1' HD13 ' B' ' 96' ' ' ILE . . . -61.46 -26.21 67.74 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.169 179.067 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 24.9 m -98.88 -32.23 11.44 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.696 -175.607 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -99.15 -25.82 9.27 Favored Glycine 0 CA--C 1.519 0.333 0 C-N-CA 120.562 -0.827 . . . . 0.0 113.416 -176.459 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 73.43 -76.13 0.96 Allowed Glycine 0 N--CA 1.45 -0.381 0 N-CA-C 111.726 -0.55 . . . . 0.0 111.726 -178.484 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -118.94 -22.94 7.08 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-O 121.005 0.431 . . . . 0.0 110.313 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 35.8 t -72.2 -14.81 61.89 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.833 -0.622 . . . . 0.0 110.678 -177.601 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -90.39 -17.64 26.9 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.812 -177.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.465 HD11 HG11 ' B' ' 88' ' ' VAL . 55.0 mt -53.86 -56.92 20.46 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.029 -0.532 . . . . 0.0 112.172 -175.704 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.424 ' HD2' ' N ' ' A' ' 54' ' ' LEU . 28.6 Cg_endo -63.66 -13.69 38.25 Favored 'Trans proline' 0 C--N 1.353 0.772 0 C-N-CA 122.103 1.869 . . . . 0.0 112.87 -175.868 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 38.6 m -100.49 -37.99 8.58 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.82 0.343 . . . . 0.0 111.101 179.541 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.447 HG13 ' HB3' ' A' ' 42' ' ' ASN . 79.4 t -75.96 -38.01 35.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 121.038 0.447 . . . . 0.0 109.926 -175.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.489 HG12 HD22 ' A' ' 83' ' ' LEU . 72.1 mt -58.26 -39.39 73.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.775 -0.648 . . . . 0.0 109.766 173.821 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 23.8 t -67.42 -40.7 85.54 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.2 -177.894 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 95.9 m-20 -61.91 -49.6 75.51 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.887 178.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 59.9 mt -73.24 -46.55 49.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.805 -176.257 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.52 ' O ' HG23 ' A' ' 66' ' ' VAL . 61.7 t80 -53.65 -55.68 23.87 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 120.69 0.281 . . . . 0.0 111.07 -177.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 23.0 t -62.69 -27.74 69.46 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.568 -178.433 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -69.33 -40.94 80.09 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.948 -0.644 . . . . 0.0 112.092 178.453 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.571 HG12 HG11 ' A' ' 70' ' ' VAL . 36.3 t -74.11 -39.48 50.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.823 0.344 . . . . 0.0 110.625 178.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.52 HG23 ' O ' ' A' ' 62' ' ' TYR . 97.3 t -59.99 -34.42 56.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.672 179.291 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.7 -20.46 56.46 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.957 -0.565 . . . . 0.0 112.154 178.768 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 50.8 m -72.51 -22.22 61.07 Favored 'General case' 0 N--CA 1.445 -0.677 0 CA-C-O 120.773 0.321 . . . . 0.0 111.404 179.755 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 98.93 15.38 33.78 Favored Glycine 0 C--N 1.33 0.214 0 C-N-CA 120.531 -0.843 . . . . 0.0 112.067 -176.486 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.571 HG11 HG12 ' A' ' 65' ' ' VAL . 12.5 p -69.78 160.65 4.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 C-N-CA 122.574 0.35 . . . . 0.0 110.415 179.365 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 35.6 t -59.55 143.53 49.98 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 175.314 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 12.6 t -63.39 -36.9 85.26 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.485 -172.53 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -84.23 -31.41 25.04 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.96 0.409 . . . . 0.0 109.95 -178.449 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.535 ' HA ' ' CE1' ' A' ' 23' ' ' TYR . 37.9 tt0 -68.85 -31.76 70.95 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.318 0.58 . . . . 0.0 109.756 177.809 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.452 ' HB2' HG13 ' A' ' 70' ' ' VAL . . . -59.26 -36.43 75.49 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.286 -0.87 . . . . 0.0 111.489 177.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -57.96 -45.21 87.06 Favored 'General case' 0 N--CA 1.463 0.215 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.687 ' O ' ' HG ' ' A' ' 81' ' ' LEU . 39.1 mm -63.13 -56.04 19.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.857 -178.188 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' GLN . . . . . 0.503 ' HB2' ' HB1' ' A' ' 26' ' ' ALA . 8.9 tt0 -59.41 -44.85 92.78 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.831 -0.348 . . . . 0.0 111.109 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -59.44 -38.62 81.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.01 0.433 . . . . 0.0 110.869 179.729 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.587 ' O ' HD23 ' A' ' 84' ' ' LEU . 5.3 mt -70.75 -40.6 72.62 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.822 177.487 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.701 HD22 HG11 ' B' ' 115' ' ' VAL . 32.0 mt -69.45 -34.06 73.84 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 120.87 0.367 . . . . 0.0 110.932 -178.51 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.474 ' OE1' ' HD2' ' A' ' 38' ' ' ARG . 40.0 mt-10 -69.88 -14.79 62.91 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.794 171.383 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.489 HD22 HG12 ' A' ' 58' ' ' ILE . 43.1 tp -88.39 -43.99 11.09 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-O 121.256 0.551 . . . . 0.0 110.09 173.733 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.64 HD21 HD21 ' B' ' 84' ' ' LEU . 4.1 mm? -64.6 -9.37 18.87 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.309 -0.859 . . . . 0.0 111.915 -177.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 2.7 p -101.62 -18.84 15.7 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 120.783 0.325 . . . . 0.0 110.989 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.444 ' HB2' HG13 ' A' ' 39' ' ' VAL . . . -80.58 -49.71 10.95 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.562 0.696 . . . . 0.0 110.375 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.514 HD12 ' N ' ' A' ' 88' ' ' VAL . 1.1 pp -73.26 -22.25 60.43 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.057 -0.974 . . . . 0.0 112.836 -172.365 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.514 ' N ' HD12 ' A' ' 87' ' ' LEU . 22.5 m -87.15 -23.94 6.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 C-N-CA 120.596 -0.442 . . . . 0.0 110.593 177.551 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 76.9 t60 -69.45 -36.72 76.88 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.235 179.656 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.459 ' HA ' HG11 ' B' ' 99' ' ' VAL . 22.5 m -65.36 -26.82 40.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.484 -175.725 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.592 ' HA ' ' HB3' ' A' ' 94' ' ' ALA . 3.7 mm? -64.38 -25.17 67.91 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.6 -0.273 . . . . 0.0 111.282 -179.876 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 34.7 t -62.53 -28.33 69.78 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.096 0.475 . . . . 0.0 110.917 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.682 ' HB2' HG12 ' B' ' 99' ' ' VAL . 19.6 m -115.67 0.69 13.32 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.67 0.748 . . . . 0.0 110.702 -178.818 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.592 ' HB3' ' HA ' ' A' ' 91' ' ' LEU . . . -95.47 113.42 25.07 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-N 115.168 -0.924 . . . . 0.0 110.874 178.704 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 8.5 t -84.44 88.42 7.29 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 177.64 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.785 HD13 ' HB1' ' B' ' 47' ' ' ALA . 15.9 tt -70.17 135.18 28.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.268 179.739 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -84.02 -75.53 1.2 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.271 -177.503 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 39.0 t30 -154.49 139.05 16.88 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 176.835 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.489 ' CG1' HD11 ' A' ' 96' ' ' ILE . 4.9 m -123.21 138.86 51.72 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.806 0 CA-C-O 120.986 0.422 . . . . 0.0 110.505 178.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 16.8 m -112.63 148.93 33.58 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.238 -176.859 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' SER . . . . . 0.453 ' HB3' ' HB2' ' B' ' 40' ' ' SER . 46.5 m -72.34 -9.05 57.99 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.215 0.531 . . . . 0.0 111.433 -177.483 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 43.8 t -84.96 101.65 9.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.042 -176.176 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 132.19 -12.95 5.24 Favored Glycine 0 N--CA 1.453 -0.196 0 C-N-CA 120.616 -0.802 . . . . 0.0 112.931 176.107 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 48.3 t -57.5 -33.54 44.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.585 0.231 . . . . 0.0 110.644 178.172 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -52.91 -39.95 63.16 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.376 178.338 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 12.6 m -77.62 -39.68 44.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.562 -0.744 . . . . 0.0 111.239 -177.537 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 30.4 m -60.61 -33.97 73.55 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-O 121.35 0.595 . . . . 0.0 110.597 178.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.53 HD21 HG21 ' B' ' 39' ' ' VAL . 3.0 mt -60.75 -24.53 65.8 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.422 -0.808 . . . . 0.0 111.772 178.5 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -77.27 -17.75 58.14 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.909 0.385 . . . . 0.0 110.38 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 38.9 t -90.78 -35.92 7.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.864 -176.859 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.462 HG11 ' OG ' ' B' ' 85' ' ' SER . 11.1 p -64.52 -25.29 37.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 121.325 0.583 . . . . 0.0 110.636 -179.421 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 112' ' ' GLN . . . . . 0.529 ' HG2' HG12 ' B' ' 27' ' ' VAL . 23.1 mt-30 -71.76 -18.68 62.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.475 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -84.27 -35.33 23.46 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.896 -175.853 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 10.4 p -78.64 -46.14 19.89 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.405 -0.816 . . . . 0.0 112.053 -172.211 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.555 HG11 HD22 ' B' ' 81' ' ' LEU . 14.8 p -107.39 -19.04 6.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-O 120.808 0.337 . . . . 0.0 111.46 -172.655 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -57.7 -27.46 58.95 Favored Glycine 0 C--O 1.228 -0.226 0 C-N-CA 121.159 -0.543 . . . . 0.0 112.901 -178.514 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -87.28 0.58 55.18 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 111.72 0.267 . . . . 0.0 111.72 -178.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 88.6 m-85 -110.81 -30.36 7.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.014 0.435 . . . . 0.0 109.951 176.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 34.0 m -91.23 -3.22 10.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.646 176.03 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.524 0 C-N-CA 121.016 -0.611 . . . . 0.0 111.893 178.862 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.537 0 N-CA-C 111.898 -0.481 . . . . 0.0 111.898 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' -4' ' ' SER . . . . . . . . . . . . . 39.5 m -110.83 159.14 17.93 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 110.032 -0.359 . . . . 0.0 110.032 178.509 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' -3' ' ' GLY . . . . . . . . . . . . . . . -124.0 164.44 17.26 Favored Glycine 0 N--CA 1.447 -0.6 0 C-N-CA 120.49 -0.862 . . . . 0.0 112.371 -179.003 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' -2' ' ' ASN . . . . . . . . . . . . . 16.2 t-20 -74.13 -42.51 59.9 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.137 0.494 . . . . 0.0 110.24 178.496 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' -1' ' ' SER . . . . . . . . . . . . . 15.2 p -138.76 154.15 48.5 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.123 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 44.5 t -83.82 96.51 4.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-O 121.055 0.455 . . . . 0.0 110.27 -179.67 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 41.3 p -81.35 165.02 21.73 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.577 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 6.2 p -60.62 -39.7 89.18 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.877 0.37 . . . . 0.0 110.805 179.297 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -77.78 -2.92 82.93 Favored Glycine 0 N--CA 1.452 -0.292 0 CA-C-N 115.985 -0.552 . . . . 0.0 112.462 179.126 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -77.36 -30.49 54.02 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 121.09 -0.576 . . . . 0.0 111.918 177.151 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 6' ' ' TYR . . . . . . . . . . . . . 27.4 p90 -112.83 -39.97 4.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.772 0.32 . . . . 0.0 111.071 177.772 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . 67.46 -154.19 52.93 Favored Glycine 0 N--CA 1.445 -0.764 0 C-N-CA 121.197 -0.525 . . . . 0.0 112.52 179.596 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 29.7 m-85 -77.05 -19.14 57.52 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 177.124 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -152.98 116.15 0.72 Allowed Glycine 0 N--CA 1.445 -0.749 0 CA-C-N 114.898 -1.047 . . . . 0.0 111.762 -172.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 67.8 p -77.78 -22.48 50.08 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.187 0.518 . . . . 0.0 111.214 -176.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 37.7 m -112.63 116.68 30.55 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.866 -174.741 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -83.15 94.77 7.92 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-O 121.152 0.501 . . . . 0.0 110.796 178.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -133.57 -176.93 4.32 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.617 177.829 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -76.7 50.73 0.71 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.09 0.472 . . . . 0.0 111.231 -179.51 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 97.36 107.22 2.5 Favored Glycine 0 N--CA 1.443 -0.834 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.956 179.439 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -175.1 82.73 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 175.108 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 57.23 52.67 50.1 Favored Glycine 0 N--CA 1.448 -0.544 0 N-CA-C 111.266 -0.734 . . . . 0.0 111.266 -170.081 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 18' ' ' VAL . . . . . 0.475 HG23 ' O ' ' B' ' 22' ' ' SER . 0.2 OUTLIER -88.37 -62.94 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 N-CA-C 112.761 0.652 . . . . 0.0 112.761 -173.034 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 19' ' ' ALA . . . . . 0.422 ' H ' HG23 ' B' ' 18' ' ' VAL . . . -104.3 -179.5 3.96 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 110.225 -0.287 . . . . 0.0 110.225 -177.15 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.63 -49.48 75.03 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.954 0.407 . . . . 0.0 110.871 -178.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -137.86 39.39 1.6 Allowed Glycine 0 N--CA 1.447 -0.618 0 C-N-CA 120.88 -0.676 . . . . 0.0 111.575 -178.531 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 22' ' ' SER . . . . . 0.475 ' O ' HG23 ' B' ' 18' ' ' VAL . 6.9 m -151.51 123.55 8.15 Favored 'General case' 0 C--N 1.314 -0.948 0 CA-C-N 115.397 -0.401 . . . . 0.0 110.355 179.667 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -148.17 123.22 10.09 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.794 -177.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -81.9 -17.23 47.94 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.527 -177.636 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -68.66 -26.74 74.29 Favored Glycine 0 CA--C 1.51 -0.271 0 C-N-CA 120.564 -0.827 . . . . 0.0 111.772 179.688 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 26' ' ' ALA . . . . . 0.407 ' HB1' ' N ' ' B' ' 78' ' ' GLN . . . -76.33 1.67 15.54 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.62 0.724 . . . . 0.0 110.247 176.128 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 27' ' ' VAL . . . . . 0.529 HG12 ' HG2' ' A' ' 112' ' ' GLN . 2.8 t -112.22 -36.23 2.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 115.103 -0.953 . . . . 0.0 109.636 178.298 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 70.7 m-20 -77.24 -14.49 59.75 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.736 -0.666 . . . . 0.0 111.367 -174.11 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 74.5 ttt180 -82.28 -7.31 59.63 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.286 0.565 . . . . 0.0 110.086 178.27 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 30' ' ' LEU . . . . . 0.574 HD11 ' HB3' ' B' ' 81' ' ' LEU . 82.2 mt -72.43 -30.42 64.6 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.187 -177.263 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 9.6 p -80.15 12.27 2.96 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.523 -178.359 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 45.2 t -102.1 160.97 14.05 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.154 178.479 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.42 -18.53 65.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.886 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -55.79 -61.24 2.5 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.437 177.244 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 35' ' ' ALA . . . . . 0.547 ' O ' HG23 ' B' ' 39' ' ' VAL . . . -61.12 -49.55 76.81 Favored 'General case' 0 CA--C 1.516 -0.36 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.604 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -51.58 -35.54 41.71 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.895 -176.742 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 39.8 m -80.02 -16.9 54.15 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 112.11 0.411 . . . . 0.0 112.11 -178.763 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 38' ' ' ARG . . . . . 0.544 ' HD2' ' OE1' ' B' ' 82' ' ' GLU . 73.9 mtt180 -96.49 -49.11 5.28 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 122.041 0.924 . . . . 0.0 109.191 179.767 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 39' ' ' VAL . . . . . 0.547 HG23 ' O ' ' B' ' 35' ' ' ALA . 48.2 t -60.73 -43.96 96.24 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.807 0 CA-C-N 113.902 -1.499 . . . . 0.0 111.202 -176.549 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 40' ' ' SER . . . . . 0.453 ' HB2' ' HB3' ' A' ' 101' ' ' SER . 94.8 p -73.5 -8.8 57.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.973 0.416 . . . . 0.0 111.437 -177.68 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 31.7 t -95.28 -2.26 49.74 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.217 179.659 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 48.8 m-80 -125.81 0.53 7.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.864 0.364 . . . . 0.0 111.22 -179.527 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 43' ' ' ILE . . . . . 0.498 HG13 ' N ' ' B' ' 44' ' ' ALA . 6.3 pt -61.71 -41.44 90.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.193 179.041 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 44' ' ' ALA . . . . . 0.498 ' N ' HG13 ' B' ' 43' ' ' ILE . . . -77.21 -15.97 59.26 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.006 0.431 . . . . 0.0 110.904 -175.099 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -77.24 -50.86 11.97 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.296 0.569 . . . . 0.0 110.027 179.814 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 46' ' ' ILE . . . . . 0.437 HG21 ' HB3' ' B' ' 87' ' ' LEU . 29.8 mt -67.14 -32.08 56.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.188 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 47' ' ' ALA . . . . . 0.785 ' HB1' HD13 ' A' ' 96' ' ' ILE . . . -64.37 -25.63 68.11 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.342 178.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 68.7 m -103.6 -6.65 21.46 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 112.369 0.507 . . . . 0.0 112.369 -176.419 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -124.73 -32.54 0.81 Allowed Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.101 -1.047 . . . . 0.0 113.23 -177.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 78.56 -78.37 1.64 Allowed Glycine 0 N--CA 1.444 -0.782 0 N-CA-C 111.122 -0.791 . . . . 0.0 111.122 -177.607 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -117.33 -20.98 8.92 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 120.88 0.371 . . . . 0.0 110.912 -178.514 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 14.6 p -72.3 -16.49 61.9 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.027 -176.575 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -92.55 -15.72 26.62 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.114 -177.63 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 54' ' ' LEU . . . . . 0.453 HD11 HG11 ' A' ' 88' ' ' VAL . 49.1 mt -53.42 -57.78 15.53 Favored Pre-proline 0 CA--C 1.534 0.356 0 N-CA-C 112.375 0.509 . . . . 0.0 112.375 -175.431 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 55' ' ' PRO . . . . . 0.424 ' HD2' ' N ' ' B' ' 54' ' ' LEU . 25.8 Cg_endo -62.93 -19.73 69.66 Favored 'Trans proline' 0 C--N 1.353 0.792 0 C-N-CA 122.221 1.947 . . . . 0.0 112.565 -176.748 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 14.9 m -91.88 -32.88 15.14 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.978 0.418 . . . . 0.0 111.039 -178.547 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 76.0 t -85.68 -37.46 11.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.403 -174.869 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 58' ' ' ILE . . . . . 0.507 HG12 HD22 ' B' ' 83' ' ' LEU . 70.3 mt -57.97 -41.85 81.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.291 176.028 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 18.6 t -67.06 -32.85 74.32 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.176 -177.669 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 88.7 m-20 -62.97 -51.43 66.9 Favored 'General case' 0 CA--C 1.519 -0.222 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.214 177.366 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 61' ' ' ILE . . . . . 0.409 ' O ' HG23 ' B' ' 65' ' ' VAL . 63.3 mt -73.96 -46.78 45.09 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-N 115.256 -0.883 . . . . 0.0 111.735 -176.027 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 62' ' ' TYR . . . . . 0.472 ' O ' HG23 ' B' ' 66' ' ' VAL . 42.1 t80 -55.08 -48.68 73.2 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.582 -0.281 . . . . 0.0 110.952 -177.626 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 33.3 t -61.63 -32.74 72.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.961 0.41 . . . . 0.0 110.471 179.338 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -71.67 -33.3 63.59 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.865 -0.683 . . . . 0.0 111.523 -179.602 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 65' ' ' VAL . . . . . 0.669 HG12 HG11 ' B' ' 70' ' ' VAL . 64.5 t -77.7 -45.82 27.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-O 120.774 0.321 . . . . 0.0 110.998 179.349 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 66' ' ' VAL . . . . . 0.472 HG23 ' O ' ' B' ' 62' ' ' TYR . 98.6 t -61.04 -30.27 47.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 120.912 0.387 . . . . 0.0 110.749 -178.809 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.57 -18.31 51.89 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 116.119 -0.491 . . . . 0.0 112.104 177.362 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 23.7 m -74.55 -19.17 60.44 Favored 'General case' 0 N--CA 1.448 -0.547 0 N-CA-C 112.057 0.391 . . . . 0.0 112.057 179.261 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 90.08 17.16 54.47 Favored Glycine 0 C--N 1.33 0.204 0 C-N-CA 120.586 -0.816 . . . . 0.0 111.473 -175.203 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.669 HG11 HG12 ' B' ' 65' ' ' VAL . 13.1 p -70.58 163.31 3.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 115.233 -0.483 . . . . 0.0 110.413 179.249 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 71' ' ' SER . . . . . 0.417 ' N ' HG22 ' B' ' 70' ' ' VAL . 42.6 t -60.21 138.72 57.87 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 173.746 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 24.4 t -57.97 -43.24 86.36 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.021 0.439 . . . . 0.0 110.999 -175.77 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -77.11 -28.45 54.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.468 -177.033 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -74.31 -32.47 62.87 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 176.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 75' ' ' ALA . . . . . 0.506 ' HB2' HG13 ' B' ' 70' ' ' VAL . . . -61.35 -35.96 78.88 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.811 176.581 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 76' ' ' LEU . . . . . 0.482 HD23 ' HB3' ' B' ' 118' ' ' TYR . 2.4 tm? -54.29 -50.72 66.66 Favored 'General case' 0 CA--C 1.519 -0.243 0 O-C-N 123.504 0.503 . . . . 0.0 109.682 176.417 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 77' ' ' ILE . . . . . 0.593 ' O ' ' HG ' ' B' ' 81' ' ' LEU . 36.3 mm -63.9 -53.91 38.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.9 -178.285 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 78' ' ' GLN . . . . . 0.407 ' N ' ' HB1' ' B' ' 26' ' ' ALA . 41.3 tp60 -53.08 -49.4 66.48 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-O 120.906 0.384 . . . . 0.0 110.915 179.23 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.88 -42.24 97.54 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.904 -178.471 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 80' ' ' LEU . . . . . 0.624 ' O ' HD23 ' B' ' 84' ' ' LEU . 2.1 mm? -62.05 -45.74 92.21 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.784 177.198 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 81' ' ' LEU . . . . . 0.593 ' HG ' ' O ' ' B' ' 77' ' ' ILE . 24.6 mt -67.55 -38.23 83.85 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 120.503 0.192 . . . . 0.0 111.387 -176.237 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 82' ' ' GLU . . . . . 0.544 ' OE1' ' HD2' ' B' ' 38' ' ' ARG . 43.3 mt-10 -59.82 -40.61 89.0 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.068 0.461 . . . . 0.0 110.081 172.21 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 83' ' ' LEU . . . . . 0.507 HD22 HG12 ' B' ' 58' ' ' ILE . 39.2 tp -63.15 -46.31 87.81 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 175.684 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 84' ' ' LEU . . . . . 0.64 HD21 HD21 ' A' ' 84' ' ' LEU . 4.0 mm? -62.17 -12.29 19.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.552 -179.029 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 85' ' ' SER . . . . . 0.462 ' OG ' HG11 ' A' ' 111' ' ' VAL . 23.3 m -92.86 -29.03 16.15 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 120.84 0.353 . . . . 0.0 110.661 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 86' ' ' ALA . . . . . 0.454 ' HB2' HG13 ' B' ' 39' ' ' VAL . . . -73.26 -43.78 60.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.479 0.657 . . . . 0.0 110.488 -177.008 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 87' ' ' LEU . . . . . 0.474 HD12 ' N ' ' B' ' 88' ' ' VAL . 1.4 pp -80.86 -18.72 46.4 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.335 -0.848 . . . . 0.0 113.161 -171.342 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 88' ' ' VAL . . . . . 0.474 ' N ' HD12 ' B' ' 87' ' ' LEU . 16.6 m -89.83 -26.88 5.25 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.261 0 C-N-CA 120.151 -0.62 . . . . 0.0 110.561 176.926 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 89' ' ' HIS . . . . . . . . . . . . . 71.4 t60 -65.41 -38.55 90.3 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.013 178.877 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 90' ' ' VAL . . . . . 0.461 ' HA ' HG11 ' A' ' 99' ' ' VAL . 33.2 m -64.61 -26.46 40.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.538 -175.132 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 91' ' ' LEU . . . . . 0.581 ' HA ' ' HB3' ' B' ' 94' ' ' ALA . 3.5 mm? -66.3 -22.04 66.28 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.09 179.519 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 34.7 t -66.19 -20.42 66.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.771 0.319 . . . . 0.0 110.973 -179.104 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 49.9 m -128.19 15.59 6.72 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-O 121.475 0.655 . . . . 0.0 110.565 177.613 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 94' ' ' ALA . . . . . 0.581 ' HB3' ' HA ' ' B' ' 91' ' ' LEU . . . -106.72 102.28 11.67 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.384 177.791 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 13.3 t -77.44 82.82 3.88 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.219 0.533 . . . . 0.0 109.584 179.647 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 96' ' ' ILE . . . . . 0.784 HD13 ' HB1' ' A' ' 47' ' ' ALA . 15.3 tt -64.87 146.31 13.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 115.547 -0.751 . . . . 0.0 111.14 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 97' ' ' GLY . . . . . . . . . . . . . . . -89.34 -102.46 1.06 Allowed Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 120.546 -0.835 . . . . 0.0 111.314 176.814 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 98' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -131.05 135.21 47.36 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 110.121 -0.326 . . . . 0.0 110.121 175.698 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 99' ' ' VAL . . . . . 0.682 HG12 ' HB2' ' A' ' 93' ' ' SER . 8.1 m -114.72 131.34 67.16 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.53 178.398 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 100' ' ' SER . . . . . . . . . . . . . 42.7 m -100.04 156.42 17.18 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.281 -179.676 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 17.7 m -79.38 23.98 0.37 Allowed 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.011 0.434 . . . . 0.0 112.039 -175.313 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 5.3 p -114.93 124.81 71.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-O 121.175 0.512 . . . . 0.0 110.574 -176.463 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . 114.3 -15.67 20.27 Favored Glycine 0 N--CA 1.45 -0.43 0 CA-C-N 115.617 -0.719 . . . . 0.0 112.356 177.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 104' ' ' VAL . . . . . . . . . . . . . 38.4 t -60.85 -31.79 50.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 N-CA-C 110.087 -0.338 . . . . 0.0 110.087 178.294 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -51.01 -40.7 58.81 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.122 176.551 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 20.0 m -84.35 -36.08 22.77 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.537 -0.756 . . . . 0.0 111.56 -178.134 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 25.9 m -61.66 -32.53 72.71 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.198 0.523 . . . . 0.0 110.505 178.653 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 108' ' ' LEU . . . . . 0.634 ' O ' HG12 ' B' ' 111' ' ' VAL . 4.1 mt -61.18 -38.15 85.47 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.208 176.419 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 109' ' ' ASN . . . . . . . . . . . . . 20.0 m-80 -64.09 -22.88 67.11 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.987 0.422 . . . . 0.0 111.12 178.667 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 110' ' ' VAL . . . . . . . . . . . . . 40.0 t -84.16 -38.26 13.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.616 -179.313 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 111' ' ' VAL . . . . . 0.634 HG12 ' O ' ' B' ' 108' ' ' LEU . 8.0 p -66.52 -28.32 42.98 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.183 0 CA-C-O 121.321 0.581 . . . . 0.0 110.25 -179.384 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 112' ' ' GLN . . . . . 0.552 ' HG3' ' O ' ' B' ' 108' ' ' LEU . 24.9 mt-30 -70.29 -24.6 63.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.652 179.33 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 113' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -82.87 -29.02 29.66 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.227 -0.897 . . . . 0.0 110.635 -173.274 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 12.1 p -88.46 -41.82 12.52 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.749 -0.659 . . . . 0.0 112.234 -173.678 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 115' ' ' VAL . . . . . 0.701 HG11 HD22 ' A' ' 81' ' ' LEU . 11.1 p -104.9 -19.97 6.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 120.932 0.396 . . . . 0.0 111.151 -173.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 116' ' ' GLY . . . . . . . . . . . . . . . -63.22 -18.72 60.9 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 121.193 -0.527 . . . . 0.0 112.838 -176.884 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -93.83 4.12 54.4 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.709 0.29 . . . . 0.0 111.209 179.793 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 118' ' ' TYR . . . . . 0.482 ' HB3' HD23 ' B' ' 76' ' ' LEU . 82.1 m-85 -116.11 -29.43 6.29 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.919 0.39 . . . . 0.0 110.406 177.774 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 119' ' ' VAL . . . . . 0.469 ' O ' ' HB3' ' A' ' 22' ' ' SER . 35.9 m -88.86 -0.58 8.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.866 176.875 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.51 -1.161 . . . . 0.0 111.409 178.791 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.76 0 N-CA-C 111.946 -0.462 . . . . 0.0 111.946 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 49.6 m -148.9 128.55 13.22 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.831 0.348 . . . . 0.0 110.642 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . 154.3 117.72 0.64 Allowed Glycine 0 N--CA 1.449 -0.448 0 N-CA-C 111.479 -0.648 . . . . 0.0 111.479 177.675 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' -2' ' ' ASN . . . . . . . . . . . . . 24.0 p-10 -145.21 122.15 11.33 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.232 0.539 . . . . 0.0 111.014 -177.705 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' -1' ' ' SER . . . . . 0.6 ' O ' ' HA ' ' B' ' -4' ' ' SER . 14.0 p -169.45 131.96 1.2 Allowed 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.581 179.106 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 19.3 m -131.56 150.74 34.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-O 120.715 0.293 . . . . 0.0 111.286 -177.896 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.2 p -85.75 92.97 8.76 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.211 174.897 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.5 m -71.51 144.29 49.68 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.461 -173.035 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -163.91 -135.37 1.81 Allowed Glycine 0 N--CA 1.444 -0.821 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.826 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -102.26 60.59 0.54 Allowed Glycine 0 N--CA 1.447 -0.624 0 C-N-CA 120.897 -0.668 . . . . 0.0 112.344 178.509 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 32.0 p90 -145.56 179.16 7.61 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.648 0.261 . . . . 0.0 110.619 179.624 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 135.89 -153.2 21.31 Favored Glycine 0 N--CA 1.447 -0.588 0 N-CA-C 111.35 -0.7 . . . . 0.0 111.35 -179.517 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 33.4 m-85 -82.56 -22.34 34.96 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.281 0.562 . . . . 0.0 110.055 177.21 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -114.39 55.7 0.52 Allowed Glycine 0 N--CA 1.442 -0.95 0 CA-C-N 115.573 -0.739 . . . . 0.0 111.58 178.846 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 14.8 p -53.74 -56.59 16.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.408 0.623 . . . . 0.0 110.044 176.208 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 60.0 m -128.83 126.92 40.85 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.281 -0.872 . . . . 0.0 109.082 171.498 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -74.11 81.12 1.75 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.281 0.562 . . . . 0.0 111.474 -177.592 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -158.69 18.87 0.21 Allowed 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.203 -0.908 . . . . 0.0 109.863 177.384 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -121.54 -175.3 3.05 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.642 -177.907 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.414 ' O ' ' HA3' ' A' ' 25' ' ' GLY . . . -165.73 83.09 0.1 Allowed Glycine 0 N--CA 1.446 -0.694 0 C-N-CA 120.433 -0.889 . . . . 0.0 112.969 -177.653 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.474 ' H ' HG13 ' A' ' 18' ' ' VAL . . . -176.23 95.39 0.06 Allowed 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 174.196 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 62.12 34.8 90.22 Favored Glycine 0 CA--C 1.521 0.464 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.209 -174.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.474 HG13 ' H ' ' A' ' 16' ' ' ALA . 2.5 m -71.62 -33.88 50.56 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.293 0 CA-C-O 120.882 0.372 . . . . 0.0 111.936 -176.514 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.436 ' HB3' ' HB2' ' A' ' 22' ' ' SER . . . -132.99 -176.8 4.24 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.187 -0.46 . . . . 0.0 109.967 179.533 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -67.58 -48.01 68.1 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.153 -177.729 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -131.27 11.27 5.56 Favored Glycine 0 CA--C 1.507 -0.413 0 C-N-CA 120.768 -0.73 . . . . 0.0 111.978 -178.453 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.465 ' HB3' ' O ' ' B' ' 119' ' ' VAL . 21.3 m -121.3 128.25 52.13 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.6 -0.3 . . . . 0.0 110.857 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -146.97 127.61 14.22 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 116.089 -0.505 . . . . 0.0 109.786 179.048 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -86.81 -15.3 39.65 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.686 -176.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.414 ' HA3' ' O ' ' A' ' 15' ' ' GLY . . . -66.62 -31.68 79.28 Favored Glycine 0 CA--C 1.509 -0.297 0 C-N-CA 121.008 -0.615 . . . . 0.0 112.37 -178.877 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.598 ' HB1' ' HB2' ' A' ' 78' ' ' GLN . . . -71.76 -11.27 60.74 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.108 0.48 . . . . 0.0 110.583 179.35 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.1 t -98.1 -47.43 12.42 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.46 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.119 -172.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -77.75 2.72 16.1 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 120.212 -0.595 . . . . 0.0 111.655 -175.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 78.9 ttt180 -90.04 -12.92 37.11 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.537 0.684 . . . . 0.0 110.081 175.83 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.663 ' HB3' HD12 ' B' ' 108' ' ' LEU . 69.4 mt -70.95 -24.1 62.36 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.714 -174.594 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 23.2 t -72.73 -8.43 55.34 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.223 0.535 . . . . 0.0 110.274 -178.751 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 46.4 m -82.63 159.95 22.58 Favored 'General case' 0 N--CA 1.443 -0.797 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.05 176.54 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.74 -18.92 61.65 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 111.873 0.323 . . . . 0.0 111.873 -178.175 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -52.35 -59.23 4.66 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.082 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.679 ' O ' HG23 ' A' ' 39' ' ' VAL . . . -60.67 -57.17 13.83 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.592 179.104 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.96 -32.73 21.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 112.025 -175.774 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 22.3 t -73.93 -20.63 60.32 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.513 -178.731 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.546 ' HD2' ' OE1' ' A' ' 82' ' ' GLU . 56.2 mtt180 -100.82 -45.05 5.58 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.646 0.736 . . . . 0.0 109.469 -179.22 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.679 HG23 ' O ' ' A' ' 35' ' ' ALA . 28.1 t -58.95 -45.05 92.24 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 114.481 -1.236 . . . . 0.0 110.965 -177.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.47 ' HB2' ' CB ' ' B' ' 101' ' ' SER . 92.6 p -72.82 -13.19 61.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.874 0.369 . . . . 0.0 111.341 -177.675 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 12.3 t -89.72 -6.94 55.57 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.004 0.43 . . . . 0.0 110.255 -178.049 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 39.0 m-80 -122.41 -2.31 9.01 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.539 -176.557 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.501 HG13 ' N ' ' A' ' 44' ' ' ALA . 5.0 pt -60.43 -39.73 81.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.074 178.734 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.501 ' N ' HG13 ' A' ' 43' ' ' ILE . . . -80.05 -8.17 59.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.041 0.448 . . . . 0.0 111.008 -177.482 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -87.13 -50.51 6.57 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.123 179.263 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.423 HG21 ' HB3' ' A' ' 87' ' ' LEU . 39.0 mt -66.23 -34.21 68.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.361 179.582 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.627 ' HB1' HD13 ' B' ' 96' ' ' ILE . . . -62.5 -18.73 62.55 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.976 -0.557 . . . . 0.0 111.595 178.937 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 36.1 t -93.83 -46.97 6.96 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.157 -177.704 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -94.33 -22.79 23.73 Favored Glycine 0 CA--C 1.517 0.204 0 C-N-CA 120.26 -0.971 . . . . 0.0 113.427 -174.302 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 75.2 -75.16 1.37 Allowed Glycine 0 N--CA 1.45 -0.393 0 N-CA-C 111.534 -0.626 . . . . 0.0 111.534 -177.445 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -115.76 -27.51 7.02 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.189 0.519 . . . . 0.0 110.294 179.382 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 6.7 m -69.36 -12.7 61.89 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.665 -179.309 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.417 ' CB ' ' HA ' ' A' ' 46' ' ' ILE . . . -89.27 -15.43 33.54 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.72 -178.443 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.406 ' HB2' ' HD3' ' A' ' 55' ' ' PRO . 65.3 mt -57.95 -56.16 37.58 Favored Pre-proline 0 CA--C 1.539 0.525 0 CA-C-N 116.146 -0.479 . . . . 0.0 112.071 -177.668 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.406 ' HD3' ' HB2' ' A' ' 54' ' ' LEU . 30.6 Cg_endo -67.29 -5.29 13.49 Favored 'Trans proline' 0 C--N 1.355 0.879 0 C-N-CA 122.195 1.93 . . . . 0.0 112.813 -178.373 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 10.9 m -98.92 -47.55 5.22 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.312 0.577 . . . . 0.0 110.015 175.728 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 78.3 t -77.43 -40.91 29.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.925 -172.525 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.49 HG12 ' HG ' ' A' ' 83' ' ' LEU . 54.8 mt -58.13 -43.01 84.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.099 176.851 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 69.6 m -72.13 -25.28 61.66 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.329 -0.85 . . . . 0.0 110.853 -178.252 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 -70.69 -52.86 18.27 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.044 0.45 . . . . 0.0 110.451 175.391 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 63.8 mt -70.41 -43.71 77.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.811 -175.567 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.448 ' O ' HG23 ' A' ' 66' ' ' VAL . 69.0 t80 -54.47 -48.01 72.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.168 -178.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 43.9 t -57.52 -36.79 72.03 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.134 0.492 . . . . 0.0 110.432 178.464 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -70.11 -36.36 71.92 Favored Glycine 0 N--CA 1.45 -0.426 0 CA-C-N 115.551 -0.75 . . . . 0.0 111.919 -177.059 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.659 HG12 HG11 ' A' ' 70' ' ' VAL . 66.0 t -74.46 -44.48 47.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 115.611 -0.294 . . . . 0.0 110.874 -179.872 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.448 HG23 ' O ' ' A' ' 62' ' ' TYR . 91.9 t -61.72 -42.57 94.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.36 -177.848 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -69.63 -3.81 16.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.811 -179.354 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 35.5 t -85.54 -11.91 52.95 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.11 179.783 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 90.54 36.64 6.84 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.284 -0.96 . . . . 0.0 112.143 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.659 HG11 HG12 ' A' ' 65' ' ' VAL . 14.5 p -94.01 161.39 2.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 176.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 45.3 t -61.97 147.84 45.71 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.711 0.291 . . . . 0.0 110.292 176.821 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 6.7 m -53.98 -57.84 9.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.014 -0.539 . . . . 0.0 112.258 -173.311 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -76.67 -26.96 55.37 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.079 0.466 . . . . 0.0 110.258 -174.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -70.86 -28.79 64.84 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.261 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.533 ' HB2' HG13 ' A' ' 70' ' ' VAL . . . -60.1 -39.87 87.66 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.681 -0.69 . . . . 0.0 111.393 177.905 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.449 HD23 ' HB3' ' A' ' 118' ' ' TYR . 2.7 tm? -54.28 -48.35 71.32 Favored 'General case' 0 CA--C 1.519 -0.233 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 177.815 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.716 ' O ' ' HG ' ' A' ' 81' ' ' LEU . 30.6 mm -63.61 -56.03 19.31 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 CA-C-N 115.343 -0.844 . . . . 0.0 111.313 -176.899 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' GLN . . . . . 0.598 ' HB2' ' HB1' ' A' ' 26' ' ' ALA . 52.0 tt0 -55.69 -48.71 74.64 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-O 120.895 0.379 . . . . 0.0 110.918 -178.833 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.46 -37.98 82.72 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.158 -179.282 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.488 ' O ' HD23 ' A' ' 84' ' ' LEU . 2.6 mm? -68.13 -35.05 77.49 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-O 120.697 0.284 . . . . 0.0 111.016 175.906 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.716 ' HG ' ' O ' ' A' ' 77' ' ' ILE . 65.7 mt -69.06 -37.2 78.4 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.058 0.456 . . . . 0.0 110.452 179.139 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.546 ' OE1' ' HD2' ' A' ' 38' ' ' ARG . 55.8 mt-10 -73.69 -17.28 61.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.293 0.568 . . . . 0.0 110.58 175.422 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.49 ' HG ' HG12 ' A' ' 58' ' ' ILE . 3.4 tm? -84.63 -43.09 14.74 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.993 -0.548 . . . . 0.0 109.73 176.338 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.488 HD23 ' O ' ' A' ' 80' ' ' LEU . 3.7 mm? -69.69 -3.63 16.07 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.517 -0.765 . . . . 0.0 112.334 -176.653 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -101.61 -32.08 10.52 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 120.759 0.314 . . . . 0.0 111.189 -179.768 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -66.69 -44.7 81.02 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.265 0.555 . . . . 0.0 110.96 -177.618 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.495 HD12 ' N ' ' A' ' 88' ' ' VAL . 1.0 OUTLIER -78.95 -21.05 47.77 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.605 -0.725 . . . . 0.0 112.76 -173.097 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.569 HG11 HD11 ' B' ' 54' ' ' LEU . 17.2 m -87.87 -25.78 5.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 C-N-CA 120.32 -0.552 . . . . 0.0 110.634 178.367 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 69.1 t60 -69.48 -35.57 75.7 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.486 179.189 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.485 ' HA ' HG11 ' B' ' 99' ' ' VAL . 25.7 m -66.7 -28.92 44.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.484 -175.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.621 ' HA ' ' HB3' ' A' ' 94' ' ' ALA . 3.0 mm? -61.22 -28.52 69.21 Favored 'General case' 0 CA--C 1.52 -0.178 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.987 178.89 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 66.9 m -54.96 -33.27 62.19 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.824 -0.626 . . . . 0.0 111.588 -179.416 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 10.7 t -119.12 10.85 12.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.503 0.668 . . . . 0.0 110.003 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.621 ' HB3' ' HA ' ' A' ' 91' ' ' LEU . . . -98.5 98.39 9.58 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.782 -0.645 . . . . 0.0 109.874 177.928 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 25.9 t -71.56 86.58 0.89 Allowed 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.918 -0.583 . . . . 0.0 109.764 178.35 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.662 HD13 ' HB1' ' B' ' 47' ' ' ALA . 15.7 tt -65.53 140.65 19.29 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.383 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.84 178.297 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -86.43 -88.83 0.99 Allowed Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.4 -179.153 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 9.5 t30 -144.87 117.18 8.46 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.725 0.298 . . . . 0.0 110.488 -179.784 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.459 HG13 HD11 ' A' ' 96' ' ' ILE . 2.8 m -106.58 161.62 5.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.704 178.344 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 36.5 m -148.91 161.9 40.94 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 -179.498 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' SER . . . . . 0.426 ' HB3' ' HB2' ' B' ' 40' ' ' SER . 16.3 m -77.18 41.14 0.29 Allowed 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.019 0.438 . . . . 0.0 111.545 -176.003 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 56.4 t -114.76 112.33 39.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.846 -175.277 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 100.26 0.12 55.87 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.753 -0.737 . . . . 0.0 113.71 175.458 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.446 ' O ' HD23 ' A' ' 108' ' ' LEU . 11.1 t -62.54 -31.23 51.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 117.253 0.527 . . . . 0.0 110.559 -179.188 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -50.05 -44.2 51.43 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-O 121.388 0.613 . . . . 0.0 110.717 177.572 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 20.0 m -74.49 -25.47 59.39 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.637 -0.71 . . . . 0.0 111.507 -178.208 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 20.5 m -70.29 -38.45 75.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.918 0.389 . . . . 0.0 110.208 -179.631 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.701 HD12 ' HB3' ' B' ' 30' ' ' LEU . 4.5 mm? -58.37 -33.52 69.68 Favored 'General case' 0 C--O 1.223 -0.328 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.801 177.618 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 14.5 m-80 -71.35 -23.17 61.86 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.868 -178.756 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 38.9 t -86.56 -36.91 10.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-O 120.756 0.312 . . . . 0.0 110.762 -177.37 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.576 HG12 ' O ' ' A' ' 108' ' ' LEU . 9.4 p -63.42 -28.28 44.7 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.337 0 CA-C-O 121.423 0.63 . . . . 0.0 110.611 -178.669 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 112' ' ' GLN . . . . . 0.554 ' HG3' ' O ' ' A' ' 108' ' ' LEU . 22.7 mt-30 -67.5 -21.02 65.52 Favored 'General case' 0 CA--C 1.518 -0.265 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.947 -179.238 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -79.02 -39.83 32.99 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.583 -177.159 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 5.3 m -77.02 -44.94 28.98 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.131 -0.941 . . . . 0.0 111.934 -170.561 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.673 HG11 HD22 ' B' ' 81' ' ' LEU . 12.8 p -106.48 -18.16 7.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 121.09 0.471 . . . . 0.0 111.376 -172.827 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -63.52 -17.0 59.37 Favored Glycine 0 CA--C 1.517 0.21 0 CA-C-N 116.078 -0.51 . . . . 0.0 113.193 -177.291 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -92.54 1.98 56.95 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.829 0.315 . . . . 0.0 111.239 179.589 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' TYR . . . . . 0.449 ' HB3' HD23 ' A' ' 76' ' ' LEU . 79.6 m-85 -113.79 -36.72 4.75 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.241 0.543 . . . . 0.0 109.685 178.678 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.432 HG21 HG21 ' B' ' 27' ' ' VAL . 33.9 m -84.44 -3.54 8.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.913 178.579 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.57 0 C-N-CA 121.01 -0.614 . . . . 0.0 111.611 179.904 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.398 0 N-CA-C 112.163 -0.375 . . . . 0.0 112.163 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' -4' ' ' SER . . . . . 0.6 ' HA ' ' O ' ' A' ' -1' ' ' SER . 50.3 m -139.97 127.98 22.21 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.154 0.502 . . . . 0.0 111.245 178.379 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' -3' ' ' GLY . . . . . . . . . . . . . . . -175.63 157.74 24.33 Favored Glycine 0 N--CA 1.448 -0.554 0 N-CA-C 110.701 -0.96 . . . . 0.0 110.701 -179.272 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' -2' ' ' ASN . . . . . . . . . . . . . 4.5 p-10 -137.53 124.91 21.9 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 117.342 0.571 . . . . 0.0 111.371 -176.137 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' -1' ' ' SER . . . . . . . . . . . . . 13.1 p -165.97 101.45 0.66 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.511 175.477 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 31.1 m -129.13 150.55 34.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.478 178.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 7.9 p -96.46 82.28 3.36 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.357 0.599 . . . . 0.0 111.871 -177.904 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 19.3 m -100.7 107.11 18.64 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.075 176.592 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -115.87 -111.95 2.78 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.255 -178.528 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -76.16 -5.13 80.36 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 121.087 -0.578 . . . . 0.0 112.502 179.754 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 6' ' ' TYR . . . . . . . . . . . . . 54.2 p90 -132.03 148.98 52.53 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.8 -0.445 . . . . 0.0 109.8 178.043 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -169.4 -125.14 0.78 Allowed Glycine 0 N--CA 1.446 -0.651 0 C-N-CA 120.85 -0.69 . . . . 0.0 111.652 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -71.05 -42.14 69.84 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.242 0.544 . . . . 0.0 109.578 179.434 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -118.08 99.29 0.8 Allowed Glycine 0 N--CA 1.445 -0.701 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.693 177.806 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 39.5 p -83.11 -20.48 34.76 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.099 0.476 . . . . 0.0 111.18 -177.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 69.6 m -141.66 139.21 32.94 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.804 -0.634 . . . . 0.0 109.572 177.714 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -88.72 0.16 56.73 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.936 0.398 . . . . 0.0 111.492 -175.218 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -86.17 -9.16 57.11 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.657 176.809 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -88.09 163.0 16.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.387 178.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . -162.35 94.21 0.12 Allowed Glycine 0 N--CA 1.443 -0.858 0 C-N-CA 119.891 -1.147 . . . . 0.0 113.653 -177.162 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 16' ' ' ALA . . . . . 0.466 ' H ' HG13 ' B' ' 18' ' ' VAL . . . 175.45 91.43 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 123.54 0.736 . . . . 0.0 109.292 174.356 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 55.17 53.33 41.19 Favored Glycine 0 N--CA 1.453 -0.191 0 C-N-CA 120.747 -0.739 . . . . 0.0 111.684 -172.293 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 18' ' ' VAL . . . . . 0.466 HG13 ' H ' ' B' ' 16' ' ' ALA . 2.6 m -88.6 -42.52 14.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 N-CA-C 111.968 0.359 . . . . 0.0 111.968 -175.636 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 19' ' ' ALA . . . . . 0.403 ' HB3' ' HB2' ' B' ' 22' ' ' SER . . . -126.61 -179.94 5.03 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 110.037 -0.357 . . . . 0.0 110.037 -178.761 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.55 -53.04 54.1 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.95 0.405 . . . . 0.0 110.925 -179.02 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -131.42 39.54 1.76 Allowed Glycine 0 N--CA 1.448 -0.528 0 C-N-CA 120.924 -0.655 . . . . 0.0 111.619 -178.012 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 22' ' ' SER . . . . . 0.403 ' HB2' ' HB3' ' B' ' 19' ' ' ALA . 6.4 m -152.39 124.98 8.32 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.349 -0.426 . . . . 0.0 110.3 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 23' ' ' TYR . . . . . 0.529 ' CE1' ' HA ' ' B' ' 74' ' ' GLU . 0.1 OUTLIER -148.8 119.32 7.41 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.084 -0.507 . . . . 0.0 109.889 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -79.99 -11.99 59.74 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.823 179.395 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 25' ' ' GLY . . . . . 0.456 ' HA2' ' ND2' ' B' ' 28' ' ' ASN . . . -66.24 -34.25 87.54 Favored Glycine 0 CA--C 1.505 -0.575 0 N-CA-C 111.541 -0.624 . . . . 0.0 111.541 176.793 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 26' ' ' ALA . . . . . 0.449 ' HB1' ' HB2' ' B' ' 78' ' ' GLN . . . -75.43 1.61 13.55 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.037 0.446 . . . . 0.0 110.887 178.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 27' ' ' VAL . . . . . 0.476 ' O ' ' HG ' ' B' ' 30' ' ' LEU . 2.3 t -114.8 -48.93 4.98 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.494 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.9 -177.872 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 28' ' ' ASN . . . . . 0.456 ' ND2' ' HA2' ' B' ' 25' ' ' GLY . 9.1 p30 -75.46 -4.68 41.01 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.303 -0.559 . . . . 0.0 110.966 -175.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 78.9 ttt180 -91.65 -4.31 55.35 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.377 0.608 . . . . 0.0 110.034 175.778 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 30' ' ' LEU . . . . . 0.701 ' HB3' HD12 ' A' ' 108' ' ' LEU . 84.6 mt -70.04 -33.71 72.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.168 -178.414 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 32.8 t -71.1 -6.18 37.3 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.64 -178.265 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 70.8 m -77.2 151.78 35.06 Favored 'General case' 0 N--CA 1.442 -0.841 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.58 176.78 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.31 -23.07 62.14 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.309 -179.265 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -49.71 -56.17 11.17 Favored 'General case' 0 CA--C 1.515 -0.384 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.031 177.871 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 35' ' ' ALA . . . . . 0.548 ' O ' HG23 ' B' ' 39' ' ' VAL . . . -68.37 -56.01 9.98 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.686 -178.611 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -48.38 -40.38 25.51 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 112.419 0.526 . . . . 0.0 112.419 -175.462 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 23.9 t -67.78 -28.53 67.68 Favored 'General case' 0 CA--C 1.538 0.49 0 N-CA-C 111.787 0.291 . . . . 0.0 111.787 -178.48 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 38' ' ' ARG . . . . . 0.408 HH11 ' HD2' ' B' ' 38' ' ' ARG . 44.7 mtm105 -96.05 -39.43 9.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.285 0.564 . . . . 0.0 109.98 -176.641 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 39' ' ' VAL . . . . . 0.548 HG23 ' O ' ' B' ' 35' ' ' ALA . 67.8 t -59.77 -41.93 87.13 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-N 115.103 -0.953 . . . . 0.0 110.53 176.881 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 40' ' ' SER . . . . . 0.464 ' O ' HG12 ' B' ' 43' ' ' ILE . 93.7 p -76.71 -8.32 57.04 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.714 -177.681 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 23.1 t -93.82 -6.28 46.22 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.351 0.596 . . . . 0.0 109.788 178.503 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 39.7 m-80 -118.93 -4.05 10.67 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.869 -177.612 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 43' ' ' ILE . . . . . 0.536 HG13 ' N ' ' B' ' 44' ' ' ALA . 5.8 pt -60.32 -39.64 81.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 121.039 0.447 . . . . 0.0 110.746 176.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 44' ' ' ALA . . . . . 0.536 ' N ' HG13 ' B' ' 43' ' ' ILE . . . -82.05 -3.83 55.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.69 -176.367 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -92.16 -53.1 4.38 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.221 178.747 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 46' ' ' ILE . . . . . 0.415 ' HA ' ' CB ' ' B' ' 53' ' ' ALA . 44.5 mt -63.35 -37.13 78.71 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.392 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 47' ' ' ALA . . . . . 0.662 ' HB1' HD13 ' A' ' 96' ' ' ILE . . . -61.02 -25.45 66.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.142 0.496 . . . . 0.0 111.642 -179.296 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 27.3 t -97.69 -7.35 31.06 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.471 -175.472 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -121.11 -32.65 1.04 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.372 -0.918 . . . . 0.0 112.899 -177.539 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 81.95 -71.29 2.98 Favored Glycine 0 N--CA 1.446 -0.687 0 N-CA-C 111.658 -0.577 . . . . 0.0 111.658 -178.221 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -126.74 -28.28 2.99 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.662 0.267 . . . . 0.0 111.199 -179.145 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 34.4 p -74.01 -7.77 53.68 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.168 0.508 . . . . 0.0 110.954 -177.616 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 53' ' ' ALA . . . . . 0.415 ' CB ' ' HA ' ' B' ' 46' ' ' ILE . . . -88.82 -17.65 29.31 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.632 178.868 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 54' ' ' LEU . . . . . 0.569 HD11 HG11 ' A' ' 88' ' ' VAL . 28.6 mt -56.11 -57.05 24.66 Favored Pre-proline 0 CA--C 1.534 0.346 0 CA-C-N 116.301 -0.409 . . . . 0.0 112.04 -178.008 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 55' ' ' PRO . . . . . 0.459 ' HD2' ' N ' ' B' ' 54' ' ' LEU . 20.9 Cg_endo -61.77 -16.11 46.75 Favored 'Trans proline' 0 C--N 1.35 0.645 0 C-N-CA 122.274 1.982 . . . . 0.0 112.493 -176.869 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 6.3 m -94.05 -45.23 7.67 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.498 179.23 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 68.1 t -76.89 -40.49 31.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.582 -173.774 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 58' ' ' ILE . . . . . 0.529 HG12 ' HG ' ' B' ' 83' ' ' LEU . 73.3 mt -59.1 -35.24 56.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.444 175.178 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 17.6 t -69.64 -44.02 71.44 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-N 115.501 -0.772 . . . . 0.0 109.972 -179.371 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 89.3 m-20 -58.39 -49.46 77.16 Favored 'General case' 0 CA--C 1.52 -0.21 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.672 179.635 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 61' ' ' ILE . . . . . 0.486 ' O ' HG23 ' B' ' 65' ' ' VAL . 63.5 mt -70.62 -48.1 60.57 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-N 115.347 -0.842 . . . . 0.0 111.606 -177.049 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 62' ' ' TYR . . . . . 0.434 ' O ' HG23 ' B' ' 66' ' ' VAL . 58.0 t80 -53.81 -51.53 63.21 Favored 'General case' 0 N--CA 1.465 0.314 0 O-C-N 123.151 0.282 . . . . 0.0 111.356 -178.387 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 10.0 t -60.34 -33.18 72.04 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.232 0.539 . . . . 0.0 110.148 -178.899 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -71.9 -32.12 63.96 Favored Glycine 0 N--CA 1.451 -0.33 0 CA-C-N 115.75 -0.659 . . . . 0.0 112.069 -179.255 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 65' ' ' VAL . . . . . 0.702 HG12 HG11 ' B' ' 70' ' ' VAL . 60.6 t -78.03 -43.3 28.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-O 120.889 0.376 . . . . 0.0 110.598 179.566 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 66' ' ' VAL . . . . . 0.434 HG23 ' O ' ' B' ' 62' ' ' TYR . 92.2 t -61.58 -40.29 86.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.122 -178.449 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -66.55 -13.92 61.63 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-O 120.905 0.383 . . . . 0.0 111.828 179.515 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 34.8 t -76.72 -18.15 58.67 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.121 -178.893 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 94.69 39.33 4.7 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.332 -0.937 . . . . 0.0 111.953 -177.541 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.702 HG11 HG12 ' B' ' 65' ' ' VAL . 14.1 p -93.54 162.46 2.4 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 176.636 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 34.7 t -64.33 141.92 58.6 Favored 'General case' 0 N--CA 1.451 -0.393 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 174.747 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 8.7 m -52.65 -45.55 66.77 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 112.562 0.579 . . . . 0.0 112.562 -173.068 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -85.09 -23.8 28.35 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.725 -0.39 . . . . 0.0 110.7 -176.451 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 74' ' ' GLU . . . . . 0.529 ' HA ' ' CE1' ' B' ' 23' ' ' TYR . 39.9 tt0 -71.92 -29.89 64.78 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-O 121.181 0.515 . . . . 0.0 109.772 178.261 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 75' ' ' ALA . . . . . 0.419 ' HB2' HG13 ' B' ' 70' ' ' VAL . . . -57.51 -38.06 74.02 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-N 115.348 -0.842 . . . . 0.0 111.397 177.331 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 76' ' ' LEU . . . . . 0.511 HD23 ' HB3' ' B' ' 118' ' ' TYR . 2.6 tm? -55.88 -51.4 67.71 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.045 0.45 . . . . 0.0 109.827 179.617 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 77' ' ' ILE . . . . . 0.643 ' O ' ' HG ' ' B' ' 81' ' ' LEU . 35.5 mm -62.19 -52.7 57.14 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 115.562 -0.745 . . . . 0.0 111.099 -176.197 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 78' ' ' GLN . . . . . 0.449 ' HB2' ' HB1' ' B' ' 26' ' ' ALA . 29.9 tt0 -57.95 -47.99 81.26 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 121.017 -0.273 . . . . 0.0 110.648 179.68 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -59.19 -41.46 88.55 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.914 0.388 . . . . 0.0 110.903 -178.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 80' ' ' LEU . . . . . 0.694 ' O ' ' HG ' ' B' ' 84' ' ' LEU . 3.6 mm? -67.18 -43.52 81.97 Favored 'General case' 0 C--O 1.22 -0.451 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.249 178.273 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 81' ' ' LEU . . . . . 0.673 HD22 HG11 ' A' ' 115' ' ' VAL . 13.3 mt -66.23 -41.74 89.64 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.926 0.393 . . . . 0.0 111.261 -176.717 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 91.6 mt-10 -63.43 -37.0 85.59 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.403 0.621 . . . . 0.0 109.882 174.427 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 83' ' ' LEU . . . . . 0.529 ' HG ' HG12 ' B' ' 58' ' ' ILE . 3.4 tm? -62.31 -44.46 96.47 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.121 175.888 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 84' ' ' LEU . . . . . 0.694 ' HG ' ' O ' ' B' ' 80' ' ' LEU . 14.0 mt -63.1 -17.92 62.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.852 -178.087 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 27.8 m -89.38 -30.39 18.41 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 120.788 0.327 . . . . 0.0 110.75 -175.47 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -68.59 -42.91 77.55 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.311 0.576 . . . . 0.0 110.558 -177.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 87' ' ' LEU . . . . . 0.566 HD12 ' N ' ' B' ' 88' ' ' VAL . 1.8 pp -81.2 -25.46 36.73 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 112.885 0.698 . . . . 0.0 112.885 -172.126 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 88' ' ' VAL . . . . . 0.566 ' N ' HD12 ' B' ' 87' ' ' LEU . 17.8 m -83.7 -22.16 8.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 C-N-CA 120.243 -0.583 . . . . 0.0 110.509 176.672 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 89' ' ' HIS . . . . . . . . . . . . . 72.1 t60 -68.71 -39.72 80.31 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.202 178.299 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 90' ' ' VAL . . . . . 0.562 HG22 ' O ' ' B' ' 87' ' ' LEU . 17.7 m -62.51 -26.57 40.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.533 -175.872 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 91' ' ' LEU . . . . . 0.64 ' HA ' ' HB3' ' B' ' 94' ' ' ALA . 3.0 mm? -63.11 -23.38 67.42 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.239 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 27.9 t -58.19 -31.24 67.11 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.884 178.819 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 63.9 m -125.53 20.6 7.92 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-O 121.159 0.504 . . . . 0.0 110.698 179.027 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 94' ' ' ALA . . . . . 0.64 ' HB3' ' HA ' ' B' ' 91' ' ' LEU . . . -110.62 99.38 8.35 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.407 177.546 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 8.6 t -76.57 85.43 3.25 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.202 -0.454 . . . . 0.0 109.92 179.549 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 96' ' ' ILE . . . . . 0.627 HD13 ' HB1' ' A' ' 47' ' ' ALA . 15.2 tt -65.48 137.67 24.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.876 179.268 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 97' ' ' GLY . . . . . . . . . . . . . . . -84.34 -88.01 0.85 Allowed Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.535 -0.841 . . . . 0.0 112.463 -177.81 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 98' ' ' ASN . . . . . . . . . . . . . 9.3 t30 -151.35 113.69 4.58 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.79 0.329 . . . . 0.0 110.648 -178.316 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 99' ' ' VAL . . . . . 0.485 HG11 ' HA ' ' A' ' 90' ' ' VAL . 7.2 m -102.69 140.43 21.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.556 -177.338 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 100' ' ' SER . . . . . . . . . . . . . 25.0 m -110.1 161.16 15.82 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.259 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 101' ' ' SER . . . . . 0.47 ' CB ' ' HB2' ' A' ' 40' ' ' SER . 3.4 p -82.59 6.56 17.26 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.128 0.489 . . . . 0.0 111.68 -177.606 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 54.8 t -92.11 113.9 28.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.696 -179.082 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . 114.82 -6.68 22.13 Favored Glycine 0 N--CA 1.448 -0.519 0 CA-C-N 115.662 -0.699 . . . . 0.0 112.661 174.642 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 104' ' ' VAL . . . . . . . . . . . . . 23.5 t -64.25 -32.87 59.23 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.152 0 N-CA-C 110.068 -0.345 . . . . 0.0 110.068 178.83 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -49.14 -41.68 36.97 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.945 179.316 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 14.9 m -75.33 -27.84 59.39 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.463 -178.44 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 24.7 m -73.46 -29.43 62.53 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.993 0.425 . . . . 0.0 110.22 -175.693 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 108' ' ' LEU . . . . . 0.663 HD12 ' HB3' ' A' ' 30' ' ' LEU . 4.1 mm? -59.98 -39.81 87.0 Favored 'General case' 0 C--O 1.223 -0.32 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.522 175.421 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 109' ' ' ASN . . . . . . . . . . . . . 7.2 m120 -65.1 -25.32 67.73 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.376 -178.898 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 110' ' ' VAL . . . . . . . . . . . . . 25.9 t -84.83 -36.05 10.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.912 0.387 . . . . 0.0 110.978 -178.191 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 111' ' ' VAL . . . . . 0.653 HG12 ' O ' ' B' ' 108' ' ' LEU . 10.0 p -65.12 -30.37 50.11 Favored 'Isoleucine or valine' 0 C--O 1.234 0.269 0 CA-C-O 121.255 0.55 . . . . 0.0 109.902 178.797 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 112' ' ' GLN . . . . . 0.615 ' HG3' ' O ' ' B' ' 108' ' ' LEU . 24.3 mt-30 -65.24 -28.51 69.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.428 -0.806 . . . . 0.0 110.534 178.653 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 113' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -82.66 -29.9 29.67 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.554 -176.152 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 114' ' ' SER . . . . . 0.439 ' OG ' ' HD3' ' B' ' 55' ' ' PRO . 13.3 m -78.73 -47.64 16.46 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.146 -0.933 . . . . 0.0 111.54 -173.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 115' ' ' VAL . . . . . 0.431 HG12 ' O ' ' B' ' 111' ' ' VAL . 11.7 p -109.3 -17.2 8.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 121.082 0.468 . . . . 0.0 111.309 -173.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 116' ' ' GLY . . . . . . . . . . . . . . . -59.38 -25.61 60.71 Favored Glycine 0 C--O 1.229 -0.186 0 CA-C-N 116.034 -0.53 . . . . 0.0 112.905 -178.732 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -88.7 5.8 41.55 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.556 0.217 . . . . 0.0 111.517 -179.018 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 118' ' ' TYR . . . . . 0.511 ' HB3' HD23 ' B' ' 76' ' ' LEU . 65.2 m-85 -117.62 -27.08 6.39 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.12 0.486 . . . . 0.0 109.827 177.201 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 119' ' ' VAL . . . . . 0.465 ' O ' ' HB3' ' A' ' 22' ' ' SER . 31.0 m -87.8 0.15 7.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.067 173.127 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.23 0 CA-C-O 118.199 -1.334 . . . . 0.0 110.879 175.711 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.898 0 N-CA-C 111.937 -0.465 . . . . 0.0 111.937 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 16.6 p -82.82 137.03 34.46 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.886 0.375 . . . . 0.0 110.732 179.596 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . 165.18 -162.7 35.96 Favored Glycine 0 N--CA 1.447 -0.569 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.157 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' -2' ' ' ASN . . . . . . . . . . . . . 45.7 m-80 -110.9 168.33 9.56 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.667 0.27 . . . . 0.0 110.324 -178.221 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 21.1 m -72.56 98.04 2.24 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.868 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 6.1 m -137.77 113.61 10.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.644 176.861 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 13.4 t -166.61 144.82 5.28 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.588 176.892 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.5 p -103.71 7.34 37.29 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.883 175.137 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 84.66 160.58 32.16 Favored Glycine 0 N--CA 1.447 -0.573 0 CA-C-N 115.614 -0.721 . . . . 0.0 112.2 -179.454 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 96.57 -20.43 50.51 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.724 -0.75 . . . . 0.0 113.149 176.375 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.565 ' HA ' HG22 ' A' ' 10' ' ' THR . 21.2 p90 -138.9 171.85 13.72 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.871 0.367 . . . . 0.0 111.408 -177.849 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 149.19 -124.24 1.77 Allowed Glycine 0 N--CA 1.447 -0.615 0 N-CA-C 111.178 -0.769 . . . . 0.0 111.178 -176.298 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 79.5 m-85 -80.04 -37.79 33.29 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.056 0.455 . . . . 0.0 110.43 176.466 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -141.12 118.1 1.32 Allowed Glycine 0 N--CA 1.444 -0.789 0 N-CA-C 111.284 -0.726 . . . . 0.0 111.284 -179.19 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.565 HG22 ' HA ' ' A' ' 6' ' ' TYR . 26.9 p -81.86 63.71 6.23 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 120.789 0.328 . . . . 0.0 111.443 -176.301 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 49.3 m 58.04 32.77 22.42 Favored 'General case' 0 CA--C 1.52 -0.175 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.812 -177.641 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -90.95 133.47 35.24 Favored 'General case' 0 N--CA 1.442 -0.84 0 CA-C-N 115.144 -0.935 . . . . 0.0 109.716 179.39 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.83 89.31 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.375 0 O-C-N 123.889 0.743 . . . . 0.0 111.509 179.531 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -168.36 173.58 7.57 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 108.421 -0.955 . . . . 0.0 108.421 -179.634 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.565 ' HA3' ' H ' ' A' ' 25' ' ' GLY . . . -164.04 115.43 0.65 Allowed Glycine 0 N--CA 1.442 -0.949 0 C-N-CA 118.881 -1.628 . . . . 0.0 114.246 -178.236 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 179.77 75.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.733 -0.84 . . . . 0.0 108.733 174.076 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 61.69 37.14 93.75 Favored Glycine 0 CA--C 1.522 0.472 0 C-N-CA 120.635 -0.793 . . . . 0.0 111.566 -171.776 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 4.3 m -78.18 -26.99 14.5 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.261 0 CA-C-O 120.893 0.378 . . . . 0.0 111.525 -175.787 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.437 ' HB3' ' HB2' ' A' ' 22' ' ' SER . . . -142.1 176.71 8.75 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.061 -0.518 . . . . 0.0 109.731 178.608 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.559 ' HB3' ' O ' ' B' ' 20' ' ' ALA . . . -78.83 -25.66 44.14 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 120.86 -0.336 . . . . 0.0 110.96 -178.811 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.519 ' HA3' ' CA ' ' B' ' 21' ' ' GLY . . . -145.92 31.59 1.6 Allowed Glycine 0 C--N 1.332 0.351 0 C-N-CA 120.89 -0.672 . . . . 0.0 112.287 177.437 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.437 ' HB2' ' HB3' ' A' ' 19' ' ' ALA . 34.8 m -146.54 121.55 10.05 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 110.083 -0.34 . . . . 0.0 110.083 177.046 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.674 ' CE1' ' HA ' ' A' ' 74' ' ' GLU . 0.0 OUTLIER -156.73 120.71 4.33 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.032 -177.434 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.418 ' N ' ' HA3' ' A' ' 15' ' ' GLY . . . -77.85 -22.62 49.62 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.368 -179.741 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.565 ' H ' ' HA3' ' A' ' 15' ' ' GLY . . . -62.0 -32.71 83.14 Favored Glycine 0 N--CA 1.453 -0.225 0 C-N-CA 120.959 -0.639 . . . . 0.0 111.916 -178.616 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.496 ' HB1' ' HB2' ' A' ' 78' ' ' GLN . . . -69.19 -15.56 63.42 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.11 0.481 . . . . 0.0 110.418 179.381 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.426 HG12 ' HG2' ' B' ' 112' ' ' GLN . 2.9 t -93.94 -42.83 13.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.431 -178.208 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 29.0 m120 -64.39 -34.5 78.32 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 121.045 0.45 . . . . 0.0 110.881 -177.044 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 71.1 ttt180 -63.33 -19.15 64.37 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.416 -178.097 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.759 ' HB3' HD12 ' B' ' 108' ' ' LEU . 89.5 mt -61.92 -30.32 70.82 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.965 -176.688 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 28.3 p -78.96 5.42 11.67 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.01 0.433 . . . . 0.0 111.528 -176.1 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 50.2 m -95.04 160.48 14.55 Favored 'General case' 0 N--CA 1.441 -0.904 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 174.559 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.65 -17.0 53.62 Favored 'General case' 0 N--CA 1.466 0.363 0 N-CA-C 112.586 0.587 . . . . 0.0 112.586 -175.259 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -56.74 -61.09 2.67 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.592 -0.276 . . . . 0.0 111.132 -179.354 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.683 ' O ' HG23 ' A' ' 39' ' ' VAL . . . -56.6 -59.98 4.21 Favored 'General case' 0 CA--C 1.515 -0.389 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.772 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -47.07 -34.91 6.33 Favored 'General case' 0 C--N 1.33 -0.243 0 O-C-N 123.543 0.527 . . . . 0.0 112.252 -175.91 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 9.6 t -67.8 -32.75 73.52 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.484 -178.379 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 84.6 mtt-85 -95.08 -36.42 11.52 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.382 0.611 . . . . 0.0 109.817 -177.006 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.683 HG23 ' O ' ' A' ' 35' ' ' ALA . 41.5 t -61.14 -46.08 97.32 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-N 115.227 -0.897 . . . . 0.0 110.664 178.844 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 80.8 p -74.67 -6.17 47.26 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.541 -178.481 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 38.0 t -92.41 -11.23 35.41 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.589 179.322 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 42.9 m-80 -118.67 0.36 11.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.967 0.413 . . . . 0.0 111.064 -176.533 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.453 HG13 ' N ' ' A' ' 44' ' ' ALA . 4.6 pt -61.35 -40.32 85.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.022 177.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.453 ' N ' HG13 ' A' ' 43' ' ' ILE . . . -81.1 -3.96 53.73 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.086 0.47 . . . . 0.0 111.032 -178.139 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -86.72 -52.5 5.48 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.28 0.562 . . . . 0.0 109.673 176.635 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 50.4 mt -65.04 -36.03 76.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.632 179.806 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.653 ' HB1' HD13 ' B' ' 96' ' ' ILE . . . -64.87 -14.05 58.33 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.729 -178.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 29.8 t -103.66 -28.04 11.93 Favored 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 121.027 -0.269 . . . . 0.0 111.469 -178.191 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -109.49 -21.77 7.07 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.33 -0.938 . . . . 0.0 113.359 -175.619 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 74.86 -80.45 0.93 Allowed Glycine 0 N--CA 1.447 -0.588 0 N-CA-C 111.204 -0.758 . . . . 0.0 111.204 -178.854 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -114.08 -23.21 9.64 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-O 121.203 0.525 . . . . 0.0 110.177 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 8.9 t -78.84 3.04 17.97 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.502 -176.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.42 ' O ' HG23 ' A' ' 57' ' ' VAL . . . -101.63 -20.15 15.15 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.184 177.359 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.432 ' N ' ' HD2' ' A' ' 55' ' ' PRO . 54.9 mt -52.54 -57.97 13.62 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 115.679 -0.692 . . . . 0.0 111.978 -175.713 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.432 ' HD2' ' N ' ' A' ' 54' ' ' LEU . 18.1 Cg_endo -61.37 -23.73 77.36 Favored 'Trans proline' 0 C--N 1.353 0.784 0 C-N-CA 122.075 1.85 . . . . 0.0 112.419 -176.558 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 20.8 m -87.41 -38.15 16.4 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.901 -178.446 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.42 HG23 ' O ' ' A' ' 53' ' ' ALA . 78.4 t -77.99 -40.48 26.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.034 -175.743 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.5 HG12 HD22 ' A' ' 83' ' ' LEU . 69.8 mt -56.68 -42.73 77.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.114 174.41 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 32.9 t -67.89 -37.73 82.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.427 -178.345 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 86.8 m-20 -58.12 -55.79 30.39 Favored 'General case' 0 CA--C 1.516 -0.346 0 CA-C-O 121.347 0.594 . . . . 0.0 110.237 177.609 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.502 ' O ' HG23 ' A' ' 65' ' ' VAL . 57.7 mt -69.44 -47.24 73.65 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-N 115.178 -0.919 . . . . 0.0 111.554 -176.197 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.474 ' O ' HG23 ' A' ' 66' ' ' VAL . 53.7 t80 -51.83 -59.56 4.17 Favored 'General case' 0 N--CA 1.466 0.354 0 O-C-N 123.061 0.225 . . . . 0.0 111.393 -177.402 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 17.9 t -62.34 -26.77 68.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.093 0.473 . . . . 0.0 110.739 -177.026 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -71.25 -45.43 48.71 Favored Glycine 0 N--CA 1.447 -0.594 0 C-N-CA 120.868 -0.682 . . . . 0.0 111.543 177.185 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.654 HG12 HG11 ' A' ' 70' ' ' VAL . 58.7 t -68.72 -41.14 82.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.686 -0.257 . . . . 0.0 111.09 -179.736 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.474 HG23 ' O ' ' A' ' 62' ' ' TYR . 84.3 t -59.07 -43.81 90.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.979 0.419 . . . . 0.0 110.339 178.784 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -75.24 -0.27 18.94 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.302 179.364 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.444 ' HB3' ' O ' ' A' ' 65' ' ' VAL . 48.2 t -90.43 -11.57 40.04 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.76 178.263 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 104.81 21.33 9.17 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.104 -1.046 . . . . 0.0 113.342 177.633 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.654 HG11 HG12 ' A' ' 65' ' ' VAL . 7.3 p -86.95 163.94 2.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 177.218 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 9.0 t -70.79 153.92 42.32 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 174.521 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 8.4 p -57.37 -62.44 1.77 Allowed 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 112.678 0.621 . . . . 0.0 112.678 -171.386 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -71.76 -28.44 63.65 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.048 0.451 . . . . 0.0 110.369 -176.734 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.674 ' HA ' ' CE1' ' A' ' 23' ' ' TYR . 39.1 tt0 -64.53 -28.83 69.91 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.257 179.506 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.438 ' HB2' ' CG1' ' A' ' 70' ' ' VAL . . . -63.02 -32.45 73.82 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.339 -0.846 . . . . 0.0 111.423 177.878 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -58.29 -48.66 79.78 Favored 'General case' 0 CA--C 1.518 -0.276 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 179.157 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.725 ' O ' ' HG ' ' A' ' 81' ' ' LEU . 30.8 mm -62.77 -55.71 22.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.92 -178.897 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' GLN . . . . . 0.496 ' HB2' ' HB1' ' A' ' 26' ' ' ALA . 9.2 tt0 -56.96 -48.07 79.22 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 121.072 -0.251 . . . . 0.0 111.465 179.314 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.16 -38.01 81.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.704 0.288 . . . . 0.0 111.04 -178.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.727 ' O ' ' HG ' ' A' ' 84' ' ' LEU . 10.0 mt -69.11 -44.26 72.79 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.894 176.584 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.725 ' HG ' ' O ' ' A' ' 77' ' ' ILE . 61.2 mt -61.4 -37.83 84.86 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.84 0.353 . . . . 0.0 110.849 179.712 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -68.69 -25.7 64.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.937 175.207 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.5 HD22 HG12 ' A' ' 58' ' ' ILE . 26.3 tp -77.64 -40.86 40.4 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.038 0.447 . . . . 0.0 110.256 175.746 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.727 ' HG ' ' O ' ' A' ' 80' ' ' LEU . 15.7 mt -63.44 -16.23 59.99 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.383 -0.826 . . . . 0.0 111.366 -176.177 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.4 p -96.83 -23.59 16.3 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.706 0.289 . . . . 0.0 111.372 -176.701 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -74.75 -45.42 44.05 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.423 0.63 . . . . 0.0 110.371 -179.607 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.509 HD12 ' N ' ' A' ' 88' ' ' VAL . 1.3 pp -77.47 -22.13 51.82 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.384 -0.826 . . . . 0.0 112.66 -172.673 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.509 ' N ' HD12 ' A' ' 87' ' ' LEU . 14.4 m -85.69 -22.78 7.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 C-N-CA 120.26 -0.576 . . . . 0.0 110.817 177.873 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 72.6 t60 -71.34 -37.69 71.69 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.178 178.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.453 HG22 ' O ' ' A' ' 87' ' ' LEU . 22.5 m -65.17 -26.71 40.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.484 -174.885 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.591 ' HA ' ' HB3' ' A' ' 94' ' ' ALA . 3.9 mm? -65.99 -21.07 66.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.566 -0.288 . . . . 0.0 111.409 179.026 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 32.4 t -66.55 -26.69 67.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.947 0.403 . . . . 0.0 110.572 179.2 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.623 ' HB2' HG12 ' B' ' 99' ' ' VAL . 61.1 m -108.89 -17.61 13.88 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.677 0.751 . . . . 0.0 110.131 -179.224 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.591 ' HB3' ' HA ' ' A' ' 91' ' ' LEU . . . -83.91 100.24 10.88 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.09 -0.959 . . . . 0.0 111.182 179.828 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 9.2 t -80.52 91.4 5.77 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 177.506 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.674 HD11 HG13 ' A' ' 99' ' ' VAL . 9.2 tt -64.68 147.55 12.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.419 -0.81 . . . . 0.0 112.248 -178.246 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -89.75 -89.72 1.25 Allowed Glycine 0 N--CA 1.45 -0.41 0 CA-C-N 115.895 -0.593 . . . . 0.0 112.29 176.055 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 8.5 t30 -147.61 108.51 4.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.955 0.377 . . . . 0.0 111.125 -178.336 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.674 HG13 HD11 ' A' ' 96' ' ' ILE . 3.2 m -91.61 147.34 5.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.286 179.551 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 57.7 m -117.45 158.33 24.69 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.447 -179.739 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 4.2 p -76.4 -10.95 59.78 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.231 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 23.8 t -81.74 109.21 15.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.956 -176.488 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 123.15 -15.78 8.2 Favored Glycine 0 N--CA 1.448 -0.524 0 CA-C-N 115.606 -0.724 . . . . 0.0 112.819 174.88 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 37.0 t -58.27 -33.31 46.95 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.194 0 CA-C-O 120.876 0.37 . . . . 0.0 110.112 179.271 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -49.0 -45.24 42.08 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.313 -0.858 . . . . 0.0 111.156 179.573 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 35.4 t -73.88 -26.06 60.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.784 -179.349 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 14.1 m -71.42 -30.25 65.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.271 0.557 . . . . 0.0 109.544 -178.091 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.558 HD12 ' HB3' ' B' ' 30' ' ' LEU . 4.1 mm? -62.79 -32.06 73.16 Favored 'General case' 0 C--O 1.223 -0.308 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.832 175.542 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -71.12 -29.84 65.76 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.945 0.403 . . . . 0.0 110.28 -178.07 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 23.2 t -80.92 -39.08 17.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.965 -176.364 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.556 HG12 ' O ' ' A' ' 108' ' ' LEU . 9.8 p -60.81 -29.49 45.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 121.175 0.512 . . . . 0.0 110.639 -178.3 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 112' ' ' GLN . . . . . 0.515 ' HG3' ' O ' ' A' ' 108' ' ' LEU . 26.0 mt-30 -65.38 -35.55 81.31 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.622 -179.463 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -66.07 -36.34 82.94 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.164 -0.926 . . . . 0.0 110.812 -175.57 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 4.0 m -78.39 -34.54 48.06 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.225 -0.898 . . . . 0.0 112.515 -170.625 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.675 HG11 HD22 ' B' ' 81' ' ' LEU . 14.9 p -113.35 -23.88 4.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 N-CA-C 112.344 0.498 . . . . 0.0 112.344 -170.037 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -56.15 -30.41 57.72 Favored Glycine 0 C--N 1.332 0.361 0 C-N-CA 121.386 -0.435 . . . . 0.0 113.407 -175.419 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -79.33 -5.28 54.17 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 111.971 0.36 . . . . 0.0 111.971 -176.577 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 80.5 m-85 -108.78 -33.52 6.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.772 0.32 . . . . 0.0 110.848 178.697 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.4 ' O ' ' HB3' ' B' ' 22' ' ' SER . 29.6 m -84.86 -5.0 9.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.374 -179.44 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 120' ' ' GLY . . . . . 0.417 ' O ' ' HA ' ' B' ' 11' ' ' SER . . . . . . . . 0 N--CA 1.45 -0.371 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.74 179.654 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.245 0 N-CA-C 112.14 -0.384 . . . . 0.0 112.14 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' -4' ' ' SER . . . . . . . . . . . . . 3.6 p -70.37 141.41 52.21 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.638 0.256 . . . . 0.0 111.089 -179.029 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' -3' ' ' GLY . . . . . . . . . . . . . . . 143.43 -101.17 0.26 Allowed Glycine 0 N--CA 1.447 -0.575 0 N-CA-C 111.499 -0.64 . . . . 0.0 111.499 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' -2' ' ' ASN . . . . . . . . . . . . . 3.8 p-10 -154.7 142.06 19.58 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.821 0.343 . . . . 0.0 110.303 178.051 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' -1' ' ' SER . . . . . . . . . . . . . 21.0 m -90.45 131.56 36.14 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.249 -177.193 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 8.7 m -121.39 34.83 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.237 178.278 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 46.1 p -97.72 133.89 41.64 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.938 -179.073 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 69.1 m -83.2 -39.05 21.47 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.834 0.35 . . . . 0.0 110.51 175.674 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . 131.85 161.93 10.27 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.958 -0.639 . . . . 0.0 111.83 -179.631 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . 97.24 6.23 57.79 Favored Glycine 0 N--CA 1.453 -0.217 0 C-N-CA 120.44 -0.886 . . . . 0.0 113.246 177.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 6' ' ' TYR . . . . . . . . . . . . . 4.9 p90 -147.6 -76.77 0.17 Allowed 'General case' 0 C--N 1.328 -0.327 0 O-C-N 122.611 -0.346 . . . . 0.0 111.275 178.035 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . 61.86 -141.87 47.79 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.692 -0.766 . . . . 0.0 111.733 -178.793 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 8' ' ' TYR . . . . . 0.445 ' HB2' ' O ' ' B' ' 18' ' ' VAL . 97.4 m-85 -100.19 2.18 42.68 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.01 0.434 . . . . 0.0 110.062 176.461 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -129.52 74.91 0.43 Allowed Glycine 0 N--CA 1.448 -0.515 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.677 -177.125 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 28.4 p -81.89 45.94 0.95 Allowed 'General case' 0 C--N 1.321 -0.648 0 C-N-CA 122.378 0.271 . . . . 0.0 111.274 -177.564 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 11' ' ' SER . . . . . 0.417 ' HA ' ' O ' ' A' ' 120' ' ' GLY . 55.5 m 62.27 95.48 0.04 OUTLIER 'General case' 0 C--O 1.233 0.217 0 CA-C-O 121.446 0.641 . . . . 0.0 111.038 -174.421 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -148.59 140.96 24.21 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.817 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.79 77.82 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.586 0 O-C-N 123.608 0.567 . . . . 0.0 111.203 175.032 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -163.54 164.68 24.19 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.671 -0.862 . . . . 0.0 108.671 178.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 15' ' ' GLY . . . . . 0.439 ' HA3' ' N ' ' B' ' 25' ' ' GLY . . . -175.34 101.77 0.16 Allowed Glycine 0 N--CA 1.443 -0.884 0 C-N-CA 119.325 -1.417 . . . . 0.0 113.637 -176.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -177.53 87.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 123.262 0.625 . . . . 0.0 109.367 173.193 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 60.02 39.38 95.61 Favored Glycine 0 CA--C 1.521 0.444 0 C-N-CA 120.564 -0.827 . . . . 0.0 111.584 -172.18 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 18' ' ' VAL . . . . . 0.445 ' O ' ' HB2' ' B' ' 8' ' ' TYR . 0.6 OUTLIER -77.29 -42.44 30.85 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.311 0 CA-C-O 120.912 0.387 . . . . 0.0 112.024 -175.962 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -144.76 140.57 28.61 Favored 'General case' 0 C--N 1.316 -0.873 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 -178.134 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 20' ' ' ALA . . . . . 0.559 ' O ' ' HB3' ' A' ' 20' ' ' ALA . . . -71.21 65.69 0.4 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.27 0.557 . . . . 0.0 110.875 179.528 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 21' ' ' GLY . . . . . 0.519 ' CA ' ' HA3' ' A' ' 21' ' ' GLY . . . 160.37 -34.53 0.43 Allowed Glycine 0 N--CA 1.44 -1.035 0 CA-C-N 115.489 -0.778 . . . . 0.0 112.306 -178.259 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 22' ' ' SER . . . . . 0.43 ' O ' HG23 ' B' ' 18' ' ' VAL . 15.1 m -127.24 131.71 50.53 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.927 0.394 . . . . 0.0 111.639 -178.057 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -151.71 130.0 12.02 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.859 -0.61 . . . . 0.0 109.819 179.459 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -84.51 -22.89 30.03 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.829 0.347 . . . . 0.0 110.966 176.78 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 25' ' ' GLY . . . . . 0.439 ' N ' ' HA3' ' B' ' 15' ' ' GLY . . . -65.56 -28.12 73.28 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.831 -0.699 . . . . 0.0 112.492 -178.403 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 26' ' ' ALA . . . . . 0.496 ' HB1' ' HB2' ' B' ' 78' ' ' GLN . . . -68.43 -16.78 64.03 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.48 0.657 . . . . 0.0 110.255 177.318 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 27' ' ' VAL . . . . . 0.485 HG22 ' CD1' ' B' ' 81' ' ' LEU . 2.9 t -94.78 -37.35 7.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.045 179.462 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 66.0 m-20 -76.88 -10.46 59.39 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.584 -0.735 . . . . 0.0 111.257 -174.696 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 79.8 ttt180 -90.47 -3.3 57.75 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.406 0.622 . . . . 0.0 110.193 178.63 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 30' ' ' LEU . . . . . 0.558 ' HB3' HD12 ' A' ' 108' ' ' LEU . 90.6 mt -74.59 -29.34 61.28 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.899 -176.226 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 5.1 p -71.73 -8.96 57.35 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.049 0.452 . . . . 0.0 111.32 -179.083 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 71.1 m -74.39 154.99 38.57 Favored 'General case' 0 N--CA 1.442 -0.851 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.776 176.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.4 -20.44 63.06 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.924 178.545 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -49.93 -60.82 2.56 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.734 177.239 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 35' ' ' ALA . . . . . 0.643 ' O ' HG23 ' B' ' 39' ' ' VAL . . . -63.49 -54.28 38.82 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.947 -179.086 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -48.83 -33.47 10.59 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 112.466 0.543 . . . . 0.0 112.466 -176.326 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 33.9 m -76.32 -23.71 54.28 Favored 'General case' 0 CA--C 1.536 0.405 0 N-CA-C 112.025 0.379 . . . . 0.0 112.025 -179.114 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 38' ' ' ARG . . . . . 0.418 HH11 ' HD3' ' B' ' 38' ' ' ARG . 53.0 mtm-85 -96.07 -43.4 7.79 Favored 'General case' 0 CA--C 1.514 -0.427 0 CA-C-O 121.604 0.716 . . . . 0.0 109.725 -177.67 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 39' ' ' VAL . . . . . 0.643 HG23 ' O ' ' B' ' 35' ' ' ALA . 36.0 t -59.62 -42.29 87.82 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.847 0 CA-C-N 114.681 -1.145 . . . . 0.0 110.848 -179.544 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 40' ' ' SER . . . . . 0.472 ' O ' HG12 ' B' ' 43' ' ' ILE . 69.8 p -74.09 -13.02 60.77 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.627 -178.42 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 22.2 t -88.34 -12.99 41.83 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.191 0.519 . . . . 0.0 110.021 -178.388 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 42.7 m-80 -115.94 -3.29 12.16 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.19 -175.036 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 43' ' ' ILE . . . . . 0.486 HG13 ' N ' ' B' ' 44' ' ' ALA . 4.3 pt -60.54 -42.55 91.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 120.904 0.383 . . . . 0.0 111.093 178.803 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 44' ' ' ALA . . . . . 0.486 ' N ' HG13 ' B' ' 43' ' ' ILE . . . -77.07 -11.75 59.85 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.098 0.475 . . . . 0.0 110.87 -177.099 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -83.69 -53.29 5.75 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.952 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 46' ' ' ILE . . . . . 0.45 ' HA ' ' HB3' ' B' ' 53' ' ' ALA . 46.1 mt -64.65 -36.3 77.1 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.238 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.546 179.858 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.83 -21.84 66.22 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.699 -178.845 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 33.1 t -93.67 -40.44 10.25 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.132 -177.606 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -96.26 -19.88 26.92 Favored Glycine 0 CA--C 1.52 0.344 0 C-N-CA 120.449 -0.882 . . . . 0.0 113.261 -175.702 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 72.31 -75.16 0.82 Allowed Glycine 0 N--CA 1.451 -0.325 0 N-CA-C 111.498 -0.641 . . . . 0.0 111.498 -178.22 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -117.95 -23.12 7.58 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-O 120.986 0.422 . . . . 0.0 110.494 179.17 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 46.7 m -71.44 -14.44 62.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.968 -177.821 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 53' ' ' ALA . . . . . 0.45 ' HB3' ' HA ' ' B' ' 46' ' ' ILE . . . -89.52 -17.55 28.4 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.899 -178.511 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 54' ' ' LEU . . . . . 0.473 HD11 HG11 ' A' ' 88' ' ' VAL . 46.8 mt -53.65 -57.31 17.88 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 115.911 -0.586 . . . . 0.0 112.08 -176.494 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 55' ' ' PRO . . . . . 0.411 ' HD2' ' N ' ' B' ' 54' ' ' LEU . 36.0 Cg_endo -65.94 -7.04 15.68 Favored 'Trans proline' 0 C--N 1.354 0.817 0 C-N-CA 122.186 1.924 . . . . 0.0 112.9 -175.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 20.1 m -104.36 -37.13 7.34 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.969 0.414 . . . . 0.0 110.747 177.885 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 55.4 t -80.52 -39.43 18.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.406 -174.69 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 58' ' ' ILE . . . . . 0.596 HG12 HD22 ' B' ' 83' ' ' LEU . 54.6 mt -61.0 -38.68 80.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.877 177.889 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 22.8 t -66.99 -39.71 87.21 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.182 179.688 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 96.7 m-20 -58.09 -53.82 53.89 Favored 'General case' 0 CA--C 1.518 -0.286 0 CA-C-O 121.425 0.631 . . . . 0.0 110.643 178.595 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 61' ' ' ILE . . . . . 0.459 ' O ' HG23 ' B' ' 65' ' ' VAL . 54.8 mt -70.56 -46.34 70.43 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 115.205 -0.907 . . . . 0.0 111.4 -176.306 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 62' ' ' TYR . . . . . 0.561 ' O ' HG23 ' B' ' 66' ' ' VAL . 67.6 t80 -54.33 -59.32 4.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.078 -178.127 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 7.6 t -65.11 -27.15 68.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.482 -177.097 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -65.62 -42.99 95.2 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.874 -0.679 . . . . 0.0 111.566 177.358 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 65' ' ' VAL . . . . . 0.66 HG12 HG11 ' B' ' 70' ' ' VAL . 52.3 t -71.3 -42.71 74.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 120.874 0.369 . . . . 0.0 110.527 177.659 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 66' ' ' VAL . . . . . 0.561 HG23 ' O ' ' B' ' 62' ' ' TYR . 99.1 t -58.01 -33.73 47.06 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.249 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.033 -179.525 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.25 -23.48 64.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.7 178.836 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 40.1 t -74.32 -11.17 60.19 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 116.582 -0.281 . . . . 0.0 111.169 -178.794 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 95.06 25.77 13.8 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.604 -0.808 . . . . 0.0 112.199 178.275 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.66 HG11 HG12 ' B' ' 65' ' ' VAL . 14.9 p -90.38 155.12 3.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 N-CA-C 109.94 -0.393 . . . . 0.0 109.94 179.77 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 36.9 t -60.12 137.73 58.04 Favored 'General case' 0 N--CA 1.453 -0.325 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 174.545 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 27.1 m -54.96 -39.76 69.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.87 0.367 . . . . 0.0 111.763 -176.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -72.21 -37.38 69.23 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.752 -177.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -71.6 -34.96 70.32 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 176.72 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 75' ' ' ALA . . . . . 0.604 ' HB2' HG13 ' B' ' 70' ' ' VAL . . . -61.05 -40.32 93.18 Favored 'General case' 0 C--O 1.224 -0.265 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.742 175.318 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 76' ' ' LEU . . . . . 0.465 HD23 ' HB3' ' B' ' 118' ' ' TYR . 3.3 tm? -51.02 -53.16 35.94 Favored 'General case' 0 CA--C 1.519 -0.232 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.852 177.866 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 77' ' ' ILE . . . . . 0.727 ' O ' ' HG ' ' B' ' 81' ' ' LEU . 36.1 mm -60.96 -53.72 45.3 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-N 115.306 -0.861 . . . . 0.0 111.104 -178.199 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 78' ' ' GLN . . . . . 0.496 ' HB2' ' HB1' ' B' ' 26' ' ' ALA . 49.7 tt0 -57.79 -48.41 79.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.861 0.362 . . . . 0.0 111.029 -179.202 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.26 -39.8 94.1 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.294 -177.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 80' ' ' LEU . . . . . 0.712 ' O ' ' HG ' ' B' ' 84' ' ' LEU . 2.8 mm? -62.42 -38.41 89.57 Favored 'General case' 0 C--O 1.221 -0.446 0 C-N-CA 121.068 -0.253 . . . . 0.0 110.627 175.48 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 81' ' ' LEU . . . . . 0.727 ' HG ' ' O ' ' B' ' 77' ' ' ILE . 26.8 mt -74.75 -35.48 62.61 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 120.84 0.352 . . . . 0.0 111.0 -178.095 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -66.13 -23.85 66.57 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.357 0.599 . . . . 0.0 110.121 171.563 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 83' ' ' LEU . . . . . 0.596 HD22 HG12 ' B' ' 58' ' ' ILE . 40.2 tp -79.27 -43.73 23.12 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.666 176.01 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 84' ' ' LEU . . . . . 0.712 ' HG ' ' O ' ' B' ' 80' ' ' LEU . 13.6 mt -66.08 -9.17 28.5 Favored 'General case' 0 C--O 1.223 -0.341 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.362 -175.028 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 1.6 p -99.27 -26.62 14.11 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.127 179.827 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 86' ' ' ALA . . . . . 0.423 ' O ' HG13 ' B' ' 90' ' ' VAL . . . -72.45 -44.94 61.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.415 0.626 . . . . 0.0 110.469 -178.389 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 87' ' ' LEU . . . . . 0.481 HD12 HG13 ' B' ' 88' ' ' VAL . 1.2 pp -80.48 -12.53 59.53 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.358 -0.837 . . . . 0.0 112.608 -172.94 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 88' ' ' VAL . . . . . 0.481 HG13 HD12 ' B' ' 87' ' ' LEU . 16.3 m -97.29 -24.31 4.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 C-N-CA 120.516 -0.474 . . . . 0.0 110.675 176.355 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 89' ' ' HIS . . . . . . . . . . . . . 68.2 t60 -69.05 -31.15 69.72 Favored 'General case' 0 N--CA 1.449 -0.511 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 177.661 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 90' ' ' VAL . . . . . 0.659 ' HA ' HG11 ' A' ' 99' ' ' VAL . 21.8 m -64.22 -27.2 42.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 C-N-CA 120.63 -0.428 . . . . 0.0 110.98 -177.248 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 91' ' ' LEU . . . . . 0.541 ' HA ' ' HB3' ' B' ' 94' ' ' ALA . 4.0 mm? -65.75 -20.14 66.16 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.977 179.139 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 34.8 t -62.42 -25.91 68.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.894 178.696 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 21.0 t -129.87 12.82 5.77 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.183 0.516 . . . . 0.0 110.436 179.655 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 94' ' ' ALA . . . . . 0.541 ' HB3' ' HA ' ' B' ' 91' ' ' LEU . . . -106.11 92.23 4.06 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.192 178.138 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 1.4 m -64.22 93.03 0.09 Allowed 'General case' 0 N--CA 1.429 -1.502 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.51 176.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 96' ' ' ILE . . . . . 0.653 HD13 ' HB1' ' A' ' 47' ' ' ALA . 18.7 tt -78.92 147.2 6.97 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.627 0 CA-C-O 120.818 0.342 . . . . 0.0 110.77 -179.195 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 97' ' ' GLY . . . . . . . . . . . . . . . -92.56 -112.07 1.99 Allowed Glycine 0 N--CA 1.446 -0.67 0 C-N-CA 120.5 -0.857 . . . . 0.0 111.849 178.846 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 98' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -125.41 103.71 8.05 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 110.165 -0.309 . . . . 0.0 110.165 -179.738 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 99' ' ' VAL . . . . . 0.623 HG12 ' HB2' ' A' ' 93' ' ' SER . 14.3 m -82.73 141.68 14.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-O 121.095 0.474 . . . . 0.0 110.766 179.872 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 100' ' ' SER . . . . . . . . . . . . . 15.0 m -108.72 155.08 21.14 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.948 -178.702 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 46.7 m -83.9 31.6 0.48 Allowed 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 120.954 0.407 . . . . 0.0 110.971 -178.492 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 40.3 t -118.81 117.43 54.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.584 -0.28 . . . . 0.0 110.445 -177.816 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . 115.62 -14.68 17.51 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 121.011 -0.614 . . . . 0.0 112.388 176.674 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 104' ' ' VAL . . . . . 0.429 ' O ' HD23 ' B' ' 108' ' ' LEU . 17.8 t -60.16 -31.68 48.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.889 0.376 . . . . 0.0 110.036 -179.604 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -52.53 -42.98 64.84 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.761 179.554 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 23.3 t -77.56 -23.2 50.11 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.487 -179.084 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 14.2 m -71.96 -32.73 67.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.918 0.39 . . . . 0.0 110.461 -178.848 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 108' ' ' LEU . . . . . 0.759 HD12 ' HB3' ' A' ' 30' ' ' LEU . 4.5 mm? -59.8 -34.36 72.94 Favored 'General case' 0 C--O 1.224 -0.257 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.969 177.599 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 109' ' ' ASN . . . . . . . . . . . . . 18.6 m-80 -69.5 -20.01 63.72 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.603 -178.221 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 110' ' ' VAL . . . . . . . . . . . . . 25.0 t -90.9 -38.22 10.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.995 -177.756 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 111' ' ' VAL . . . . . 0.574 HG12 ' O ' ' B' ' 108' ' ' LEU . 10.6 p -60.94 -30.67 47.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 121.135 0.493 . . . . 0.0 110.617 -178.681 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 112' ' ' GLN . . . . . 0.435 ' HG3' ' O ' ' B' ' 108' ' ' LEU . 26.0 mt-30 -65.34 -30.04 70.84 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.699 -179.693 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 113' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -77.33 -31.69 54.72 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.134 -0.939 . . . . 0.0 111.076 -173.253 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 13.7 m -85.11 -36.77 20.92 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.715 -0.675 . . . . 0.0 112.263 -170.775 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 115' ' ' VAL . . . . . 0.411 HG12 ' O ' ' B' ' 111' ' ' VAL . 7.2 p -113.82 -21.27 5.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 N-CA-C 111.953 0.353 . . . . 0.0 111.953 -174.783 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 116' ' ' GLY . . . . . . . . . . . . . . . -63.08 -20.07 62.2 Favored Glycine 0 CA--C 1.518 0.265 0 C-N-CA 120.946 -0.645 . . . . 0.0 113.074 -175.809 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -85.3 3.33 40.13 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 111.622 0.23 . . . . 0.0 111.622 -178.712 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 118' ' ' TYR . . . . . 0.465 ' HB3' HD23 ' B' ' 76' ' ' LEU . 84.4 m-85 -112.52 -34.46 5.84 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.843 0.354 . . . . 0.0 110.45 177.782 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 119' ' ' VAL . . . . . . . . . . . . . 33.5 m -77.5 -4.82 6.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.072 179.5 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.743 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 178.178 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.838 0 N-CA-C 111.94 -0.464 . . . . 0.0 111.94 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 18.2 m -76.12 95.47 3.66 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 178.492 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . -87.93 55.64 4.35 Favored Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 120.898 -0.668 . . . . 0.0 112.302 -178.355 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' -2' ' ' ASN . . . . . . . . . . . . . 27.3 p30 -154.35 177.14 11.47 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 110.199 -0.297 . . . . 0.0 110.199 -179.751 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 11.1 p -128.02 18.02 6.65 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.932 0.396 . . . . 0.0 111.16 -178.817 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 35.0 m -81.75 -1.37 5.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.761 -175.266 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 12.1 t -141.38 144.28 34.42 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.022 -179.498 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.526 ' OG ' ' HA ' ' B' ' 3' ' ' SER . 48.4 m -154.72 134.78 13.07 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.661 -0.245 . . . . 0.0 110.462 179.729 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.437 ' N ' ' HB3' ' B' ' -1' ' ' SER . . . -133.06 -49.19 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.623 -0.799 . . . . 0.0 112.723 -178.655 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 113.17 -31.97 6.4 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.501 -0.857 . . . . 0.0 112.421 178.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.579 ' HA ' ' O ' ' A' ' 9' ' ' GLY . 51.8 p90 -64.17 -9.08 14.68 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-O 120.942 0.401 . . . . 0.0 111.464 -178.931 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -77.67 -29.15 55.81 Favored Glycine 0 N--CA 1.447 -0.567 0 C-N-CA 121.139 -0.553 . . . . 0.0 112.432 178.469 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 72.8 m-85 -77.66 -51.35 10.75 Favored 'General case' 0 CA--C 1.516 -0.35 0 CA-C-O 122.121 0.963 . . . . 0.0 108.512 174.533 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.579 ' O ' ' HA ' ' A' ' 6' ' ' TYR . . . -168.32 -179.5 40.75 Favored Glycine 0 N--CA 1.435 -1.41 0 N-CA-C 109.105 -1.598 . . . . 0.0 109.105 177.084 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 43.9 p -133.75 174.1 10.82 Favored 'General case' 0 C--N 1.312 -1.043 0 CA-C-N 117.865 0.833 . . . . 0.0 110.068 178.883 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 13.0 m -57.25 106.1 0.29 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.33 -178.706 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.4 ' C ' ' H ' ' A' ' 14' ' ' ALA . . . -139.58 6.86 2.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.441 -177.818 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 67.08 -20.52 0.11 Allowed 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 113.954 1.094 . . . . 0.0 113.954 177.384 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.4 ' H ' ' C ' ' A' ' 12' ' ' ALA . . . -64.38 -72.47 0.15 Allowed 'General case' 0 C--O 1.233 0.235 0 CA-C-O 120.618 0.247 . . . . 0.0 110.705 179.049 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.482 ' HA3' ' H ' ' A' ' 25' ' ' GLY . . . 104.66 75.71 1.04 Allowed Glycine 0 C--O 1.22 -0.735 0 C-N-CA 120.249 -0.977 . . . . 0.0 114.169 169.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.456 ' H ' HG13 ' A' ' 18' ' ' VAL . . . -147.9 82.93 1.51 Allowed 'General case' 0 C--N 1.31 -1.138 0 N-CA-C 109.076 -0.713 . . . . 0.0 109.076 174.262 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 68.43 40.09 86.92 Favored Glycine 0 N--CA 1.447 -0.628 0 CA-C-N 115.43 -0.805 . . . . 0.0 111.435 -169.472 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.456 HG13 ' H ' ' A' ' 16' ' ' ALA . 2.7 m -80.52 -22.41 11.33 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.322 0 N-CA-C 111.843 0.312 . . . . 0.0 111.843 -178.742 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -150.43 177.25 10.17 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.494 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.535 ' HB1' ' HB1' ' B' ' 20' ' ' ALA . . . -69.18 -43.59 73.9 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.154 -177.83 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -136.52 36.31 2.01 Favored Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.145 -177.796 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 11.7 m -153.52 127.23 8.78 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.675 0.274 . . . . 0.0 110.896 179.256 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.459 ' CE1' ' HA ' ' A' ' 74' ' ' GLU . 0.1 OUTLIER -151.42 125.43 9.21 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 179.545 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.437 ' H ' ' HA3' ' A' ' 15' ' ' GLY . . . -86.29 -22.14 26.95 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 112.328 0.492 . . . . 0.0 112.328 -176.104 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.482 ' H ' ' HA3' ' A' ' 15' ' ' GLY . . . -63.94 -29.87 76.08 Favored Glycine 0 CA--C 1.506 -0.487 0 N-CA-C 111.87 -0.492 . . . . 0.0 111.87 -178.614 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.552 ' HB1' ' HB2' ' A' ' 78' ' ' GLN . . . -67.52 -10.96 56.57 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 114.939 -0.63 . . . . 0.0 110.411 176.226 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.518 HG22 ' CD1' ' A' ' 81' ' ' LEU . 3.1 t -103.09 -42.38 8.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.581 -179.65 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 26.3 m120 -65.91 -33.13 75.13 Favored 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 120.55 -0.46 . . . . 0.0 110.972 -177.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 73.2 ttt180 -67.45 -8.59 34.54 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.358 -178.246 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.514 ' HB3' HD22 ' B' ' 108' ' ' LEU . 84.6 mt -68.78 -19.95 64.33 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.88 0.372 . . . . 0.0 111.208 179.788 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 65.6 p -83.12 5.7 21.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.274 0.559 . . . . 0.0 110.694 179.522 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 45.9 t -87.59 158.72 18.81 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.266 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.83 -26.63 68.84 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.59 177.67 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -53.05 -59.37 4.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.675 178.561 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.661 ' O ' HG23 ' A' ' 39' ' ' VAL . . . -60.23 -59.51 5.3 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.322 -0.854 . . . . 0.0 110.82 179.017 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -48.15 -38.11 17.22 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 111.921 0.341 . . . . 0.0 111.921 -175.422 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 22.7 t -72.31 -27.43 62.44 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 112.272 0.471 . . . . 0.0 112.272 -179.232 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 87.5 mtt-85 -96.65 -38.57 9.88 Favored 'General case' 0 CA--C 1.514 -0.414 0 CA-C-O 121.406 0.622 . . . . 0.0 110.373 -176.063 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.661 HG23 ' O ' ' A' ' 35' ' ' ALA . 32.9 t -63.98 -38.68 83.03 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.866 0 CA-C-N 114.986 -1.006 . . . . 0.0 110.35 179.128 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.474 ' O ' HG12 ' A' ' 43' ' ' ILE . 88.1 p -77.97 -11.67 59.92 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.273 0.558 . . . . 0.0 110.956 179.585 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 44.8 t -82.9 -23.19 33.67 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.283 0.564 . . . . 0.0 110.099 179.516 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 32.4 m-80 -111.63 -0.48 16.06 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.528 -172.435 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.474 HG12 ' O ' ' A' ' 40' ' ' SER . 3.4 pt -59.8 -42.23 88.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.927 0.394 . . . . 0.0 110.705 176.453 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.435 ' N ' HG13 ' A' ' 43' ' ' ILE . . . -75.78 -15.61 60.23 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.888 -176.857 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -79.69 -51.8 8.77 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.145 -179.098 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 46.2 mt -64.89 -36.82 78.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.149 179.138 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.73 ' HB1' HD13 ' B' ' 96' ' ' ILE . . . -65.17 -15.85 62.87 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.446 -179.757 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 28.6 m -112.81 -1.15 14.73 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.394 -177.54 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -126.85 -25.97 1.18 Allowed Glycine 0 CA--C 1.518 0.28 0 C-N-CA 120.524 -0.846 . . . . 0.0 112.929 -179.249 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 77.27 -76.41 1.66 Allowed Glycine 0 N--CA 1.448 -0.535 0 N-CA-C 111.377 -0.689 . . . . 0.0 111.377 179.312 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -126.02 -18.89 4.93 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-O 120.908 0.385 . . . . 0.0 110.61 178.583 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 33.0 t -75.79 -8.46 56.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.883 0.373 . . . . 0.0 110.718 -176.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -95.67 -16.15 22.22 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.753 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.49 HD11 HG11 ' B' ' 88' ' ' VAL . 65.2 mt -53.19 -58.88 10.67 Favored Pre-proline 0 CA--C 1.534 0.353 0 CA-C-N 116.116 -0.493 . . . . 0.0 112.045 -176.849 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.424 ' HD2' ' N ' ' A' ' 54' ' ' LEU . 24.7 Cg_endo -62.26 -20.9 71.6 Favored 'Trans proline' 0 C--N 1.352 0.723 0 C-N-CA 122.273 1.982 . . . . 0.0 112.344 -176.366 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 14.1 m -90.86 -37.37 13.63 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.93 -178.799 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 62.3 t -77.56 -38.98 26.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 121.051 0.453 . . . . 0.0 109.908 -176.549 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.493 HG12 HD22 ' A' ' 83' ' ' LEU . 79.7 mt -57.39 -39.24 67.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.661 -0.7 . . . . 0.0 109.603 173.775 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 42.4 t -66.76 -41.1 88.29 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.006 -179.099 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 93.0 m-20 -60.44 -44.77 95.47 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.075 179.777 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.463 HG21 ' HB2' ' A' ' 82' ' ' GLU . 56.9 mt -80.24 -46.03 22.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.59 -177.084 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.472 ' O ' HG23 ' A' ' 66' ' ' VAL . 62.0 t80 -53.83 -54.28 40.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.431 -177.144 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 10.2 t -62.54 -29.53 70.63 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.914 0.388 . . . . 0.0 110.127 -178.475 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -68.3 -41.78 84.79 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.942 -0.647 . . . . 0.0 111.781 179.151 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.657 HG12 HG11 ' A' ' 70' ' ' VAL . 43.6 t -70.98 -43.75 76.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 121.024 0.44 . . . . 0.0 110.622 178.769 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.472 HG23 ' O ' ' A' ' 62' ' ' TYR . 98.1 t -59.8 -34.32 55.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.905 -179.627 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.36 -17.05 63.35 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.869 179.233 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 33.0 t -76.2 -18.84 58.88 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.027 0.441 . . . . 0.0 110.558 179.742 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 96.84 37.09 4.8 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.661 -0.781 . . . . 0.0 111.873 -177.687 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.657 HG11 HG12 ' A' ' 65' ' ' VAL . 15.0 p -96.9 161.92 2.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 N-CA-C 109.77 -0.456 . . . . 0.0 109.77 178.77 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 41.9 t -65.08 144.18 57.42 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 174.094 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 10.6 t -60.66 -41.9 95.94 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.643 0.258 . . . . 0.0 111.339 -176.379 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -72.57 -33.27 66.65 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.06 0.457 . . . . 0.0 109.944 -176.884 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.459 ' HA ' ' CE1' ' A' ' 23' ' ' TYR . 35.8 tt0 -74.95 -33.47 61.93 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.178 179.274 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.471 ' HB2' HG13 ' A' ' 70' ' ' VAL . . . -62.01 -36.74 82.45 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.251 178.199 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.474 HD23 ' HB3' ' A' ' 118' ' ' TYR . 3.0 tm? -55.07 -45.07 75.32 Favored 'General case' 0 N--CA 1.463 0.188 0 O-C-N 123.316 0.385 . . . . 0.0 110.042 178.64 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.705 ' O ' ' HG ' ' A' ' 81' ' ' LEU . 40.2 mm -62.41 -56.91 14.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.866 -178.881 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' GLN . . . . . 0.552 ' HB2' ' HB1' ' A' ' 26' ' ' ALA . 49.1 tt0 -59.13 -49.4 78.0 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.699 0.285 . . . . 0.0 111.074 -178.627 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.11 -34.43 73.48 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.182 -177.224 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.6 ' O ' HD23 ' A' ' 84' ' ' LEU . 5.2 mt -70.76 -41.52 71.66 Favored 'General case' 0 N--CA 1.449 -0.499 0 C-N-CA 120.692 -0.403 . . . . 0.0 110.722 176.149 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.705 ' HG ' ' O ' ' A' ' 77' ' ' ILE . 20.0 mt -69.26 -33.34 73.1 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 120.998 0.428 . . . . 0.0 110.631 -177.437 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.463 ' HB2' HG21 ' A' ' 61' ' ' ILE . 41.9 mt-10 -67.24 -21.04 65.75 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.636 171.745 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.515 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 37.0 tp -84.47 -41.83 16.2 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.013 0.435 . . . . 0.0 110.43 175.478 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.681 HD21 HD21 ' B' ' 84' ' ' LEU . 4.1 mm? -65.05 -9.52 22.81 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.555 -0.748 . . . . 0.0 112.048 -177.544 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.9 p -100.82 -25.86 13.97 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 120.846 0.355 . . . . 0.0 110.99 179.591 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -73.21 -46.8 48.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.459 0.647 . . . . 0.0 110.577 -178.646 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.515 ' HG ' ' O ' ' A' ' 83' ' ' LEU . 1.1 pp -77.98 -14.33 59.56 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.348 -0.842 . . . . 0.0 112.877 -171.652 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.462 HG13 HD12 ' A' ' 87' ' ' LEU . 17.6 m -96.2 -21.63 5.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 C-N-CA 120.442 -0.503 . . . . 0.0 110.654 176.249 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 65.5 t60 -69.26 -33.96 74.03 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 176.715 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.477 ' HA ' HG11 ' B' ' 99' ' ' VAL . 23.2 m -64.96 -25.63 38.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.424 -176.346 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.704 ' HA ' ' HB3' ' A' ' 94' ' ' ALA . 3.9 mm? -63.88 -22.55 66.97 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.006 -179.286 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 25.9 t -57.21 -31.44 65.49 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.964 178.616 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 9.4 t -123.44 13.26 9.46 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-O 121.587 0.708 . . . . 0.0 109.842 -178.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.704 ' HB3' ' HA ' ' A' ' 91' ' ' LEU . . . -103.77 92.99 4.66 Favored 'General case' 0 N--CA 1.445 -0.708 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.131 178.846 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 21.4 t -72.61 91.48 1.44 Allowed 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.659 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.793 HD13 ' HB1' ' B' ' 47' ' ' ALA . 20.4 tt -73.82 142.79 14.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.429 -179.029 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -87.54 -98.69 0.88 Allowed Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.052 179.216 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 8.6 t30 -138.6 111.52 7.81 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.825 0.345 . . . . 0.0 110.249 177.675 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.634 HG13 HD11 ' A' ' 96' ' ' ILE . 7.4 m -85.91 148.64 4.6 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.019 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 43.7 t -109.55 146.64 34.32 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.868 -0.605 . . . . 0.0 109.83 -179.055 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 54.8 m -76.51 -6.8 53.39 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.22 0.534 . . . . 0.0 110.411 176.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 60.3 t -93.02 108.61 20.6 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.432 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.625 -178.402 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 130.72 -16.27 5.36 Favored Glycine 0 N--CA 1.453 -0.182 0 C-N-CA 120.853 -0.689 . . . . 0.0 112.998 176.507 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.403 HG22 ' CD2' ' B' ' 89' ' ' HIS . 21.6 t -58.36 -28.33 35.3 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.378 0 C-N-CA 122.139 0.176 . . . . 0.0 111.112 -178.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -49.65 -46.43 49.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.465 178.212 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 18.6 m -74.65 -36.37 62.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.66 -176.461 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 9.6 m -64.32 -27.12 68.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.615 0.722 . . . . 0.0 110.094 178.59 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.633 HD21 HG21 ' B' ' 39' ' ' VAL . 2.7 mt -71.7 -16.45 62.24 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.506 -0.77 . . . . 0.0 111.64 177.477 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -82.54 -30.06 29.96 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 120.701 0.286 . . . . 0.0 110.763 -179.741 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 7.3 p -85.51 -29.68 6.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 120.793 0.33 . . . . 0.0 111.258 -177.846 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 14.4 p -62.77 -31.73 53.29 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.346 0 CA-C-O 121.203 0.525 . . . . 0.0 110.232 178.073 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' GLN . . . . . 0.498 ' HG3' ' O ' ' A' ' 108' ' ' LEU . 26.8 mt-30 -63.95 -32.57 74.15 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.945 -178.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -81.13 -19.9 42.54 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.575 -0.738 . . . . 0.0 110.429 -175.701 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' SER . . . . . 0.401 ' OG ' ' HD3' ' A' ' 55' ' ' PRO . 15.0 m -83.43 -41.32 18.23 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.441 -175.264 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.692 HG11 HD22 ' B' ' 81' ' ' LEU . 12.3 p -112.64 -22.42 4.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.716 -173.454 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -57.84 -27.32 59.13 Favored Glycine 0 C--N 1.331 0.292 0 C-N-CA 121.458 -0.401 . . . . 0.0 113.366 -176.122 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -83.27 0.89 43.6 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 111.619 0.229 . . . . 0.0 111.619 -178.059 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' TYR . . . . . 0.474 ' HB3' HD23 ' A' ' 76' ' ' LEU . 92.9 m-85 -114.06 -32.22 6.11 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.181 0.515 . . . . 0.0 110.293 177.871 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.49 ' O ' ' HB3' ' B' ' 22' ' ' SER . 30.9 m -87.58 -1.6 8.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.065 178.254 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.53 179.035 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 N-CA-C 112.415 -0.274 . . . . 0.0 112.415 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' -4' ' ' SER . . . . . . . . . . . . . 20.3 t -146.76 126.82 13.71 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.841 0.353 . . . . 0.0 110.394 179.855 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' -3' ' ' GLY . . . . . . . . . . . . . . . -93.07 -0.71 67.87 Favored Glycine 0 N--CA 1.447 -0.613 0 C-N-CA 120.878 -0.677 . . . . 0.0 112.312 -179.614 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' -2' ' ' ASN . . . . . . . . . . . . . 16.7 m120 -86.77 73.55 9.97 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.17 0.51 . . . . 0.0 109.707 178.235 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' -1' ' ' SER . . . . . 0.437 ' HB3' ' N ' ' A' ' 4' ' ' GLY . 16.2 m -81.71 43.12 0.74 Allowed 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.378 -174.482 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 28.9 m -78.85 -23.87 13.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.369 178.748 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 2' ' ' THR . . . . . 0.474 ' O ' ' HA ' ' A' ' 3' ' ' SER . 10.0 t -96.24 170.52 9.19 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.72 177.701 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 3' ' ' SER . . . . . 0.526 ' HA ' ' OG ' ' A' ' 3' ' ' SER . 58.9 m -154.17 105.36 2.7 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.941 0.4 . . . . 0.0 110.043 178.424 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -94.38 114.65 4.84 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.323 -176.434 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -62.35 -51.68 54.72 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 121.071 -0.585 . . . . 0.0 112.177 179.676 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 6' ' ' TYR . . . . . 0.522 ' HA ' ' O ' ' B' ' 9' ' ' GLY . 9.1 p90 -64.16 -9.06 14.52 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 122.651 0.38 . . . . 0.0 111.589 -179.033 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -84.61 -38.1 9.98 Favored Glycine 0 N--CA 1.447 -0.612 0 C-N-CA 120.854 -0.689 . . . . 0.0 111.857 179.361 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 14.2 m-85 -71.05 -56.52 5.97 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.478 0.656 . . . . 0.0 109.755 174.414 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 9' ' ' GLY . . . . . 0.522 ' O ' ' HA ' ' B' ' 6' ' ' TYR . . . -153.45 -174.62 23.92 Favored Glycine 0 N--CA 1.439 -1.134 0 N-CA-C 108.978 -1.649 . . . . 0.0 108.978 176.73 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 71.1 p -132.36 165.29 24.56 Favored 'General case' 0 C--N 1.31 -1.119 0 CA-C-N 118.456 1.128 . . . . 0.0 110.902 -179.243 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 19.7 m -72.93 80.45 1.18 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.222 0.534 . . . . 0.0 111.183 -177.299 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -125.49 13.02 8.13 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.45 177.297 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . 66.62 0.91 1.98 Allowed 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 115.537 -0.756 . . . . 0.0 112.88 179.607 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.76 -57.15 9.71 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.018 0.437 . . . . 0.0 111.136 -179.389 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 15' ' ' GLY . . . . . 0.581 ' HA3' ' N ' ' B' ' 25' ' ' GLY . . . 103.71 -162.25 15.67 Favored Glycine 0 N--CA 1.445 -0.736 0 C-N-CA 120.507 -0.854 . . . . 0.0 112.145 178.507 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . 58.82 78.64 0.25 Allowed 'General case' 0 C--O 1.233 0.227 0 CA-C-O 121.193 0.52 . . . . 0.0 111.283 -179.424 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 66.26 52.73 33.87 Favored Glycine 0 C--O 1.226 -0.391 0 CA-C-N 115.488 -0.778 . . . . 0.0 113.069 -177.735 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 18' ' ' VAL . . . . . 0.568 ' CG2' ' HA ' ' B' ' 23' ' ' TYR . 0.8 OUTLIER -83.98 -20.8 8.74 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.457 0 CA-C-O 120.841 0.353 . . . . 0.0 111.722 177.435 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -152.74 -176.04 5.57 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.254 -179.263 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 20' ' ' ALA . . . . . 0.535 ' HB1' ' HB1' ' A' ' 20' ' ' ALA . . . -74.5 -43.62 55.12 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.427 -177.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -129.19 9.99 6.23 Favored Glycine 0 N--CA 1.453 -0.223 0 C-N-CA 120.414 -0.898 . . . . 0.0 113.309 -175.464 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 22' ' ' SER . . . . . 0.49 ' HB3' ' O ' ' A' ' 119' ' ' VAL . 7.1 m -136.48 137.59 40.51 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.603 0.239 . . . . 0.0 110.741 179.783 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 23' ' ' TYR . . . . . 0.568 ' HA ' ' CG2' ' B' ' 18' ' ' VAL . 0.3 OUTLIER -147.31 136.28 22.26 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.258 -177.835 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 24' ' ' ALA . . . . . 0.427 ' HA ' HG23 ' B' ' 27' ' ' VAL . . . -101.34 -13.37 18.05 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.927 -178.155 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 25' ' ' GLY . . . . . 0.581 ' N ' ' HA3' ' B' ' 15' ' ' GLY . . . -67.52 -31.48 76.64 Favored Glycine 0 CA--C 1.509 -0.291 0 C-N-CA 120.456 -0.878 . . . . 0.0 111.594 -178.341 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 26' ' ' ALA . . . . . 0.468 ' HB1' ' HB2' ' B' ' 78' ' ' GLN . . . -64.78 -20.59 66.46 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.349 0.595 . . . . 0.0 110.809 175.903 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 27' ' ' VAL . . . . . 0.444 HG22 ' CD1' ' B' ' 81' ' ' LEU . 2.3 t -91.18 -44.33 14.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.176 -178.471 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 59.3 m-20 -68.92 -15.26 63.44 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.348 -0.842 . . . . 0.0 111.491 -173.333 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 68.4 ttt180 -88.22 -6.02 58.05 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.828 -178.471 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 30' ' ' LEU . . . . . 0.607 HD11 ' HB3' ' B' ' 81' ' ' LEU . 87.0 mt -71.38 -25.73 62.49 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.233 -176.478 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 10.3 p -79.09 1.3 24.66 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.983 0.42 . . . . 0.0 111.113 179.463 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 55.6 m -89.12 152.66 21.51 Favored 'General case' 0 N--CA 1.442 -0.835 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.472 177.587 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.73 -21.02 65.5 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.239 -179.606 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -52.74 -58.4 6.99 Favored 'General case' 0 CA--C 1.52 -0.186 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.271 176.548 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 35' ' ' ALA . . . . . 0.666 ' O ' HG23 ' B' ' 39' ' ' VAL . . . -60.42 -55.96 27.24 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.562 179.086 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -47.54 -36.36 10.34 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 115.945 -0.571 . . . . 0.0 112.141 -176.175 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 23.1 t -68.08 -32.82 73.42 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.331 -0.395 . . . . 0.0 112.064 -178.546 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 38' ' ' ARG . . . . . 0.435 ' NH1' ' HA3' ' B' ' 64' ' ' GLY . 49.3 mtt-85 -96.99 -37.5 10.15 Favored 'General case' 0 CA--C 1.516 -0.336 0 CA-C-O 121.384 0.611 . . . . 0.0 110.572 -175.237 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 39' ' ' VAL . . . . . 0.666 HG23 ' O ' ' B' ' 35' ' ' ALA . 24.2 t -61.94 -39.2 82.75 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.868 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.181 178.736 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 91.2 p -78.15 -6.75 55.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.974 0.416 . . . . 0.0 111.07 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 48.5 t -90.3 -15.32 31.45 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.321 0.581 . . . . 0.0 110.177 179.786 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 42' ' ' ASN . . . . . 0.4 ' HB3' HG13 ' B' ' 57' ' ' VAL . 39.8 m-80 -117.65 -3.63 11.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.215 -175.094 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 43' ' ' ILE . . . . . 0.499 HG23 ' O ' ' B' ' 39' ' ' VAL . 6.4 pt -57.8 -43.62 84.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.971 0.415 . . . . 0.0 111.086 177.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 44' ' ' ALA . . . . . 0.497 ' N ' HG13 ' B' ' 43' ' ' ILE . . . -77.13 -12.04 59.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.84 -175.559 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -79.89 -51.82 8.64 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.839 -0.618 . . . . 0.0 109.76 178.341 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 46' ' ' ILE . . . . . 0.42 HG21 ' HB3' ' B' ' 87' ' ' LEU . 37.3 mt -66.98 -35.32 74.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.264 -179.635 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 47' ' ' ALA . . . . . 0.793 ' HB1' HD13 ' A' ' 96' ' ' ILE . . . -63.54 -19.92 65.19 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.445 178.93 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 44.1 m -104.68 -35.18 7.89 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.548 -176.795 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -95.86 -19.31 29.45 Favored Glycine 0 CA--C 1.519 0.313 0 C-N-CA 120.463 -0.875 . . . . 0.0 113.191 -177.863 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 73.39 -75.46 0.99 Allowed Glycine 0 C--O 1.225 -0.43 0 N-CA-C 111.721 -0.552 . . . . 0.0 111.721 179.635 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -124.58 -21.1 4.93 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.478 -0.361 . . . . 0.0 110.794 -179.292 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 15.3 t -75.3 -13.02 60.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.097 0.475 . . . . 0.0 110.223 -178.364 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -87.85 -19.4 27.46 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.606 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 54' ' ' LEU . . . . . 0.446 HD11 HG11 ' A' ' 88' ' ' VAL . 49.5 mt -52.98 -57.98 14.07 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.979 -176.481 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 55' ' ' PRO . . . . . 0.44 ' HD2' ' N ' ' B' ' 54' ' ' LEU . 20.5 Cg_endo -61.34 -25.12 79.82 Favored 'Trans proline' 0 C--N 1.352 0.74 0 C-N-CA 122.157 1.904 . . . . 0.0 112.453 -177.42 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 48.5 m -84.23 -39.59 19.12 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.788 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 57' ' ' VAL . . . . . 0.4 HG13 ' HB3' ' B' ' 42' ' ' ASN . 63.1 t -76.22 -39.08 34.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.094 -174.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 58' ' ' ILE . . . . . 0.495 HG12 HD22 ' B' ' 83' ' ' LEU . 62.2 mt -57.03 -43.64 81.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.031 174.766 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 32.6 t -67.43 -39.53 85.46 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.571 -177.774 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 81.9 m-20 -61.01 -43.81 98.33 Favored 'General case' 0 CA--C 1.519 -0.224 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.095 179.119 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 61' ' ' ILE . . . . . 0.458 ' O ' HG23 ' B' ' 65' ' ' VAL . 63.2 mt -79.54 -48.36 21.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 115.714 -0.676 . . . . 0.0 111.428 -178.315 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 62' ' ' TYR . . . . . 0.495 ' O ' HG23 ' B' ' 66' ' ' VAL . 45.7 t80 -55.22 -54.39 44.03 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.566 -0.288 . . . . 0.0 110.894 -176.05 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 19.6 m -60.94 -29.75 69.81 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.83 -179.232 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 64' ' ' GLY . . . . . 0.435 ' HA3' ' NH1' ' B' ' 38' ' ' ARG . . . -73.21 -44.42 35.23 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.947 -0.644 . . . . 0.0 111.799 178.413 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 65' ' ' VAL . . . . . 0.681 HG12 HG11 ' B' ' 70' ' ' VAL . 85.7 t -65.17 -42.56 94.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-O 120.874 0.369 . . . . 0.0 111.083 179.841 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 66' ' ' VAL . . . . . 0.495 HG23 ' O ' ' B' ' 62' ' ' TYR . 90.1 t -60.58 -46.3 95.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.746 179.661 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.91 -14.92 63.35 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.313 178.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 27.8 t -78.22 -15.5 58.74 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.848 -179.105 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 101.28 27.91 7.05 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.216 -0.992 . . . . 0.0 113.211 176.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.681 HG11 HG12 ' B' ' 65' ' ' VAL . 11.6 p -80.31 166.36 2.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 N-CA-C 110.25 -0.278 . . . . 0.0 110.25 177.787 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 71' ' ' SER . . . . . 0.443 ' N ' HG22 ' B' ' 70' ' ' VAL . 47.2 t -69.38 151.32 46.29 Favored 'General case' 0 N--CA 1.454 -0.255 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 172.616 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 7.2 p -56.5 -64.02 1.0 Allowed 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.985 0.735 . . . . 0.0 112.985 -170.426 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 73' ' ' ASN . . . . . 0.451 ' HB3' ' OH ' ' B' ' 23' ' ' TYR . 3.2 t30 -76.72 -18.53 58.45 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 120.634 -0.426 . . . . 0.0 110.818 -176.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 74' ' ' GLU . . . . . 0.403 ' HB3' ' HB3' ' B' ' 71' ' ' SER . 38.6 tt0 -74.27 -23.41 59.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.143 0.497 . . . . 0.0 109.855 177.725 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.26 -39.9 88.44 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.538 176.036 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 76' ' ' LEU . . . . . 0.479 HD23 ' HB3' ' B' ' 118' ' ' TYR . 2.8 tm? -56.0 -48.3 76.16 Favored 'General case' 0 CA--C 1.516 -0.335 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.628 177.496 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 77' ' ' ILE . . . . . 0.624 ' O ' ' HG ' ' B' ' 81' ' ' LEU . 40.2 mm -64.27 -53.75 39.47 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-N 115.399 -0.819 . . . . 0.0 111.242 -177.547 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 78' ' ' GLN . . . . . 0.468 ' HB2' ' HB1' ' B' ' 26' ' ' ALA . 14.3 tt0 -58.4 -46.74 85.82 Favored 'General case' 0 N--CA 1.465 0.32 0 C-N-CA 121.176 -0.21 . . . . 0.0 111.024 179.533 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -59.82 -41.02 90.36 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.037 0.446 . . . . 0.0 110.451 -179.702 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 80' ' ' LEU . . . . . 0.611 ' O ' HD23 ' B' ' 84' ' ' LEU . 2.2 mm? -64.99 -45.65 84.71 Favored 'General case' 0 N--CA 1.446 -0.673 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.073 176.215 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 81' ' ' LEU . . . . . 0.692 HD22 HG11 ' A' ' 115' ' ' VAL . 14.0 mt -68.17 -36.72 80.06 Favored 'General case' 0 C--N 1.322 -0.591 0 O-C-N 122.238 -0.288 . . . . 0.0 111.613 -175.645 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -64.8 -27.2 68.72 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.091 0.472 . . . . 0.0 110.785 172.608 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 83' ' ' LEU . . . . . 0.55 ' O ' ' HG ' ' B' ' 87' ' ' LEU . 35.1 tp -76.97 -43.25 35.75 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.035 0.445 . . . . 0.0 110.56 174.586 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 84' ' ' LEU . . . . . 0.681 HD21 HD21 ' A' ' 84' ' ' LEU . 4.0 mm? -63.46 -11.66 25.32 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.518 -0.765 . . . . 0.0 112.053 -177.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 1.5 p -101.11 -27.59 13.16 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 120.645 0.259 . . . . 0.0 110.909 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -70.64 -46.73 62.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.293 0.568 . . . . 0.0 110.554 -178.752 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 87' ' ' LEU . . . . . 0.55 ' HG ' ' O ' ' B' ' 83' ' ' LEU . 1.1 pp -77.2 -17.13 58.75 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.485 -0.779 . . . . 0.0 112.822 -172.783 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 88' ' ' VAL . . . . . 0.49 HG11 HD11 ' A' ' 54' ' ' LEU . 18.7 m -93.02 -24.61 5.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 C-N-CA 120.3 -0.56 . . . . 0.0 110.812 176.702 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 89' ' ' HIS . . . . . 0.403 ' CD2' HG22 ' A' ' 104' ' ' VAL . 73.5 t60 -67.55 -32.74 73.72 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.106 178.006 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 90' ' ' VAL . . . . . 0.476 ' HA ' HG11 ' A' ' 99' ' ' VAL . 19.1 m -64.79 -27.86 43.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.201 -177.031 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 91' ' ' LEU . . . . . 0.63 ' HA ' ' HB3' ' B' ' 94' ' ' ALA . 3.7 mm? -62.48 -25.49 68.03 Favored 'General case' 0 CA--C 1.52 -0.199 0 CA-C-O 120.983 0.42 . . . . 0.0 110.641 178.508 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 48.8 m -60.87 -22.57 64.39 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.272 179.677 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 23.2 t -130.01 18.63 5.53 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-O 121.201 0.524 . . . . 0.0 110.037 177.146 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 94' ' ' ALA . . . . . 0.63 ' HB3' ' HA ' ' B' ' 91' ' ' LEU . . . -115.19 90.65 3.39 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.286 178.569 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 8.6 t -73.09 94.48 1.92 Allowed 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 179.174 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 96' ' ' ILE . . . . . 0.73 HD13 ' HB1' ' A' ' 47' ' ' ALA . 20.4 tt -69.01 146.72 12.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.679 -175.78 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 97' ' ' GLY . . . . . . . . . . . . . . . -89.95 -86.83 1.32 Allowed Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 121.08 -0.581 . . . . 0.0 112.8 -179.181 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 98' ' ' ASN . . . . . . . . . . . . . 9.3 t30 -150.47 111.68 4.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.733 0.267 . . . . 0.0 110.702 -176.429 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 99' ' ' VAL . . . . . 0.532 ' CG1' HD11 ' B' ' 96' ' ' ILE . 8.4 m -103.25 148.65 8.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 120.969 0.414 . . . . 0.0 111.465 -178.031 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 100' ' ' SER . . . . . . . . . . . . . 50.5 m -123.19 162.84 21.78 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.375 -178.725 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 101' ' ' SER . . . . . 0.453 ' CB ' ' HB2' ' A' ' 40' ' ' SER . 6.7 p -82.55 24.48 0.7 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.853 -176.831 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 43.3 t -109.29 114.32 46.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 120.769 0.318 . . . . 0.0 110.995 -174.285 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . 111.61 -8.2 28.1 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 121.085 -0.579 . . . . 0.0 112.543 175.91 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 104' ' ' VAL . . . . . . . . . . . . . 33.5 t -60.96 -34.01 58.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 178.683 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -50.07 -48.11 53.23 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.233 -0.894 . . . . 0.0 110.284 175.435 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 39.9 m -78.21 -32.85 50.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.49 -0.777 . . . . 0.0 111.506 -177.292 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 28.0 m -59.5 -36.4 75.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.379 0.609 . . . . 0.0 109.998 175.216 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 108' ' ' LEU . . . . . 0.613 ' O ' ' HG3' ' B' ' 112' ' ' GLN . 3.3 mt -62.52 -28.38 69.81 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.345 -0.843 . . . . 0.0 111.424 177.684 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 109' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -68.63 -28.94 67.35 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.229 0.538 . . . . 0.0 110.215 178.818 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 110' ' ' VAL . . . . . . . . . . . . . 23.1 t -82.69 -37.34 14.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.888 -177.831 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 111' ' ' VAL . . . . . 0.545 HG12 ' O ' ' B' ' 108' ' ' LEU . 7.8 p -64.31 -31.83 55.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-O 121.128 0.489 . . . . 0.0 110.038 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 112' ' ' GLN . . . . . 0.613 ' HG3' ' O ' ' B' ' 108' ' ' LEU . 27.2 mt-30 -65.3 -32.79 74.63 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.381 178.568 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 113' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -73.35 -34.49 65.64 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.289 -0.869 . . . . 0.0 110.789 -178.136 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 15.3 m -76.84 -37.58 55.38 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.312 -0.858 . . . . 0.0 112.204 -170.126 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 115' ' ' VAL . . . . . 0.69 HG11 HD22 ' A' ' 81' ' ' LEU . 14.7 p -118.87 -19.89 5.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 C-N-CA 120.779 -0.369 . . . . 0.0 111.98 -173.934 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 116' ' ' GLY . . . . . . . . . . . . . . . -61.51 -17.48 53.58 Favored Glycine 0 C--O 1.228 -0.269 0 C-N-CA 121.218 -0.515 . . . . 0.0 113.027 -176.842 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -91.75 1.76 56.94 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.664 0.269 . . . . 0.0 111.236 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 118' ' ' TYR . . . . . 0.479 ' HB3' HD23 ' B' ' 76' ' ' LEU . 77.9 m-85 -112.99 -32.35 6.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.043 0.449 . . . . 0.0 110.163 177.522 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 119' ' ' VAL . . . . . . . . . . . . . 33.8 m -88.16 -2.47 8.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.35 178.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.215 0 CA-C-O 118.262 -1.299 . . . . 0.0 112.055 179.859 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.761 0 N-CA-C 112.268 -0.333 . . . . 0.0 112.268 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 5.6 p -80.39 157.26 26.34 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.144 0.497 . . . . 0.0 111.436 -178.246 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . 179.72 152.19 10.55 Favored Glycine 0 N--CA 1.447 -0.633 0 N-CA-C 110.868 -0.893 . . . . 0.0 110.868 179.201 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' -2' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -80.66 77.3 7.5 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.102 0.477 . . . . 0.0 111.746 -176.729 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 10.4 p -94.0 113.36 25.33 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.565 173.583 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 28.1 m -63.63 138.98 22.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 121.353 0.597 . . . . 0.0 111.771 -176.121 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 20.6 p -70.79 105.6 3.27 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.133 -179.171 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.0 m -79.73 89.67 5.19 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.053 178.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -103.7 175.94 23.7 Favored Glycine 0 N--CA 1.45 -0.379 0 CA-C-N 115.764 -0.653 . . . . 0.0 112.683 -176.891 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 105.13 -19.23 40.93 Favored Glycine 0 N--CA 1.453 -0.219 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 -177.32 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 40.6 p90 -151.18 169.26 22.32 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 178.33 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 75.04 170.15 26.05 Favored Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 120.359 -0.924 . . . . 0.0 111.267 -175.268 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.621 ' HB3' ' O ' ' A' ' 18' ' ' VAL . 21.5 m-85 61.1 -74.67 0.03 OUTLIER 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 123.071 0.548 . . . . 0.0 111.599 -175.671 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -149.93 90.75 0.14 Allowed Glycine 0 N--CA 1.443 -0.879 0 N-CA-C 110.643 -0.983 . . . . 0.0 110.643 178.893 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 20.8 p -66.32 -39.09 89.03 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 111.834 0.309 . . . . 0.0 111.834 -175.584 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 16.0 m -142.59 172.75 12.27 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 116.303 -0.408 . . . . 0.0 109.913 179.713 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -72.13 78.0 0.95 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.303 0.573 . . . . 0.0 111.4 178.001 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -127.31 10.93 6.86 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.468 175.781 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -169.22 177.45 4.78 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.052 -0.976 . . . . 0.0 109.39 -178.168 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -150.67 -172.86 20.24 Favored Glycine 0 N--CA 1.446 -0.645 0 C-N-CA 120.623 -0.799 . . . . 0.0 111.806 179.65 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.499 ' HA ' ' OE1' ' A' ' 74' ' ' GLU . . . 62.49 92.02 0.06 Allowed 'General case' 0 C--O 1.234 0.258 0 CA-C-O 121.328 0.585 . . . . 0.0 111.644 179.293 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 62.28 44.18 98.04 Favored Glycine 0 CA--C 1.519 0.312 0 CA-C-N 115.415 -0.811 . . . . 0.0 113.137 -179.432 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.642 ' CG2' ' HA ' ' A' ' 23' ' ' TYR . 0.2 OUTLIER -78.27 -60.47 2.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.96 0.38 . . . . 0.0 111.358 178.656 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -107.78 -172.95 2.17 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 110.245 -0.28 . . . . 0.0 110.245 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -69.44 -48.12 61.92 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.854 0.359 . . . . 0.0 111.128 -177.665 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -135.74 26.09 3.19 Favored Glycine 0 CA--C 1.506 -0.49 0 N-CA-C 111.48 -0.648 . . . . 0.0 111.48 -178.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.508 ' HB3' ' O ' ' B' ' 119' ' ' VAL . 26.7 m -139.42 130.17 26.04 Favored 'General case' 0 N--CA 1.444 -0.769 0 CA-C-N 115.239 -0.48 . . . . 0.0 109.941 -179.636 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.642 ' HA ' ' CG2' ' A' ' 18' ' ' VAL . 0.2 OUTLIER -149.54 129.22 13.2 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.262 -177.784 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -89.41 -14.0 36.44 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.071 -179.685 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -66.17 -32.37 82.04 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.814 -0.707 . . . . 0.0 112.236 -178.767 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.58 ' HB1' ' HB2' ' A' ' 78' ' ' GLN . . . -77.71 -3.29 40.4 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.0 0.429 . . . . 0.0 111.18 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.2 t -100.65 -51.87 9.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 C-N-CA 120.762 -0.375 . . . . 0.0 110.655 -176.151 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 3.7 p-10 -68.11 -18.42 64.64 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.027 0.441 . . . . 0.0 110.774 -176.823 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 10.9 ttt85 -72.95 -14.65 61.5 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.053 178.287 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.782 HD11 ' HB3' ' A' ' 81' ' ' LEU . 92.3 mt -65.13 -27.15 68.54 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.804 -178.434 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 63.7 p -75.25 1.87 12.47 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.938 0.399 . . . . 0.0 111.232 -177.191 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 39.0 t -84.58 151.44 24.53 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 177.276 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.87 -19.79 53.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.289 -178.839 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.462 ' HB3' ' NH2' ' A' ' 38' ' ' ARG . 30.0 mt-10 -54.1 -56.63 16.21 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.558 -0.747 . . . . 0.0 110.885 178.141 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.451 ' O ' HG23 ' A' ' 39' ' ' VAL . . . -59.9 -48.13 82.95 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.552 179.009 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.07 -7.02 7.43 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.047 -0.524 . . . . 0.0 112.165 -176.844 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 49.6 m -99.94 -22.64 15.2 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.647 0.261 . . . . 0.0 111.506 176.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.462 ' NH2' ' HB3' ' A' ' 34' ' ' GLU . 49.6 mtt180 -94.8 -53.13 3.97 Favored 'General case' 0 CA--C 1.512 -0.489 0 N-CA-C 108.979 -0.749 . . . . 0.0 108.979 -179.404 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.513 ' O ' HG23 ' A' ' 43' ' ' ILE . 52.0 t -54.85 -36.8 38.76 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 114.04 -1.437 . . . . 0.0 111.273 -179.106 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.405 ' O ' HG12 ' A' ' 43' ' ' ILE . 48.7 p -74.09 -10.92 60.11 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.778 -177.673 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 22.7 t -97.22 -10.71 25.29 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.747 0.784 . . . . 0.0 109.066 177.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 14.0 m120 -99.24 -25.17 14.59 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.038 -0.983 . . . . 0.0 109.746 -175.289 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.587 HG13 ' N ' ' A' ' 44' ' ' ALA . 7.1 pt -54.97 -41.75 60.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.138 -0.937 . . . . 0.0 111.363 179.403 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.587 ' N ' HG13 ' A' ' 43' ' ' ILE . . . -81.63 -5.14 57.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.148 0.499 . . . . 0.0 111.121 -175.422 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -95.68 -51.91 4.32 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.102 178.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.424 HG21 ' HB3' ' A' ' 87' ' ' LEU . 53.3 mt -66.37 -34.78 72.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.649 -179.114 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.692 ' HB1' HD13 ' B' ' 96' ' ' ILE . . . -63.26 -20.29 65.33 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.293 179.439 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 14.0 t -95.85 -39.88 9.6 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.154 -176.317 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -100.26 -20.26 16.25 Favored Glycine 0 CA--C 1.519 0.32 0 C-N-CA 120.627 -0.797 . . . . 0.0 113.55 -174.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 75.7 -79.66 1.1 Allowed Glycine 0 N--CA 1.447 -0.596 0 N-CA-C 111.399 -0.68 . . . . 0.0 111.399 -179.054 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -117.97 -19.67 9.06 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-O 121.058 0.456 . . . . 0.0 110.386 178.679 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 16.0 m -71.06 -14.99 62.51 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.458 -179.024 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -92.27 -13.68 30.03 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.835 -179.191 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.449 ' N ' ' HD2' ' A' ' 55' ' ' PRO . 45.5 mt -56.2 -57.91 19.71 Favored Pre-proline 0 C--N 1.326 -0.416 0 CA-C-N 116.089 -0.505 . . . . 0.0 112.069 -176.419 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.449 ' HD2' ' N ' ' A' ' 54' ' ' LEU . 18.2 Cg_endo -60.26 -26.59 82.98 Favored 'Trans proline' 0 C--N 1.351 0.672 0 C-N-CA 121.967 1.778 . . . . 0.0 112.191 -176.682 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 9.0 m -82.6 -41.09 19.95 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.03 -178.623 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 75.6 t -80.04 -38.06 18.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.731 -172.57 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.549 HG12 HD22 ' A' ' 83' ' ' LEU . 66.0 mt -57.25 -43.14 81.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.323 176.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 6.1 t -67.49 -36.84 81.88 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.035 -177.867 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 90.7 m-20 -61.25 -54.26 46.32 Favored 'General case' 0 CA--C 1.518 -0.252 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.982 178.234 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.465 ' O ' HG23 ' A' ' 65' ' ' VAL . 38.9 mt -66.76 -43.62 89.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.191 -177.522 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.479 ' O ' HG23 ' A' ' 66' ' ' VAL . 46.6 t80 -57.18 -55.56 33.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.891 -176.723 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 23.2 m -59.14 -34.01 71.56 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.647 179.405 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -65.71 -42.02 95.52 Favored Glycine 0 N--CA 1.453 -0.221 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.909 178.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.672 HG12 HG11 ' A' ' 70' ' ' VAL . 79.3 t -73.03 -42.4 59.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-O 120.566 0.222 . . . . 0.0 111.191 -179.395 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.479 HG23 ' O ' ' A' ' 62' ' ' TYR . 85.1 t -59.77 -39.2 79.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 121.065 0.46 . . . . 0.0 110.854 -179.876 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -74.13 -2.12 23.2 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.537 179.444 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 14.5 t -94.16 -6.06 45.7 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.607 -179.575 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 92.92 26.62 16.09 Favored Glycine 0 CA--C 1.521 0.408 0 C-N-CA 120.601 -0.809 . . . . 0.0 112.943 176.737 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.672 HG11 HG12 ' A' ' 65' ' ' VAL . 9.9 p -80.82 160.77 3.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 N-CA-C 110.307 -0.257 . . . . 0.0 110.307 178.561 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 42.0 t -64.59 145.11 56.65 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 172.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 16.4 p -53.62 -63.13 1.25 Allowed 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 112.599 0.592 . . . . 0.0 112.599 -171.703 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -69.96 -24.92 63.42 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.945 0.402 . . . . 0.0 110.626 -176.186 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.499 ' OE1' ' HA ' ' A' ' 16' ' ' ALA . 44.5 tt0 -73.77 -23.78 59.77 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.04 0.448 . . . . 0.0 110.526 -179.226 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.65 -36.05 75.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.85 -0.613 . . . . 0.0 111.021 178.142 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.451 HD23 ' HB3' ' A' ' 118' ' ' TYR . 2.3 tm? -59.44 -47.18 86.47 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 178.071 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.721 ' O ' ' HG ' ' A' ' 81' ' ' LEU . 41.1 mm -63.7 -56.37 17.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.787 -179.263 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' GLN . . . . . 0.58 ' HB2' ' HB1' ' A' ' 26' ' ' ALA . 30.5 tp60 -53.8 -48.38 69.9 Favored 'General case' 0 N--CA 1.466 0.337 0 O-C-N 123.166 0.291 . . . . 0.0 111.032 179.294 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.47 -39.86 94.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.127 -179.011 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.552 ' O ' HD23 ' A' ' 84' ' ' LEU . 6.6 mt -69.18 -41.44 77.17 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.936 178.092 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.782 ' HB3' HD11 ' A' ' 30' ' ' LEU . 84.4 mt -60.98 -40.23 92.64 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.055 0.455 . . . . 0.0 110.438 179.234 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.461 ' OE1' ' HD2' ' A' ' 38' ' ' ARG . 44.3 mt-10 -67.85 -35.35 78.41 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.611 174.554 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.549 HD22 HG12 ' A' ' 58' ' ' ILE . 54.0 tp -67.73 -44.39 77.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.022 0.439 . . . . 0.0 110.764 178.66 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.697 HD21 HD21 ' B' ' 84' ' ' LEU . 4.2 mm? -63.15 -11.71 22.43 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.419 -179.005 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.417 ' OG ' HD13 ' B' ' 108' ' ' LEU . 41.4 m -94.13 -31.7 14.06 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.843 0.354 . . . . 0.0 110.912 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.434 ' HB2' HG13 ' A' ' 39' ' ' VAL . . . -70.29 -43.15 70.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.232 0.539 . . . . 0.0 110.724 -176.702 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.463 HD12 HG13 ' A' ' 88' ' ' VAL . 1.2 pp -81.59 -15.82 53.53 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.56 -0.745 . . . . 0.0 112.889 -172.439 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.463 HG13 HD12 ' A' ' 87' ' ' LEU . 18.1 m -94.56 -23.88 5.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 C-N-CA 120.478 -0.489 . . . . 0.0 110.636 175.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 73.7 t60 -65.44 -35.43 80.91 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.792 177.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 26.9 m -65.88 -27.9 42.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.697 -175.611 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.62 ' HA ' ' HB3' ' A' ' 94' ' ' ALA . 3.4 mm? -64.56 -23.05 67.14 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.214 -178.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 44.3 t -59.31 -30.43 68.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.002 0.429 . . . . 0.0 110.944 -179.82 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 9.5 t -121.42 9.9 10.41 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.458 0.647 . . . . 0.0 109.992 -178.509 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.62 ' HB3' ' HA ' ' A' ' 91' ' ' LEU . . . -104.94 93.04 4.5 Favored 'General case' 0 N--CA 1.447 -0.615 0 CA-C-N 115.833 -0.622 . . . . 0.0 110.377 -179.703 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 10.7 t -73.18 88.71 1.49 Allowed 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 178.868 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.639 HD13 ' HB1' ' B' ' 47' ' ' ALA . 19.6 tt -66.89 144.83 14.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 115.465 -0.789 . . . . 0.0 111.668 -177.829 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -88.22 -110.93 1.07 Allowed Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.072 178.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -125.46 111.81 15.53 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.931 0.396 . . . . 0.0 110.851 -179.747 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.51 HG11 ' HA ' ' B' ' 90' ' ' VAL . 4.2 m -94.29 136.35 25.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.996 179.502 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 20.7 m -91.47 147.63 22.89 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 115.901 -0.59 . . . . 0.0 109.878 179.108 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 13.5 m -86.52 7.62 25.33 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.227 0.537 . . . . 0.0 110.563 -179.411 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 5.8 p -109.82 123.5 65.76 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.659 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.91 -178.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 116.02 -11.56 17.57 Favored Glycine 0 N--CA 1.448 -0.512 0 CA-C-N 115.635 -0.711 . . . . 0.0 112.158 179.414 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 61.7 t -58.51 -32.24 45.29 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-O 120.666 0.27 . . . . 0.0 110.658 178.729 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -46.69 -42.03 15.89 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.261 178.114 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 46.8 m -73.54 -25.65 60.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.736 -0.666 . . . . 0.0 111.546 -177.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 14.3 m -72.53 -28.72 63.03 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.408 0.623 . . . . 0.0 109.766 179.001 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.506 HD11 HG21 ' B' ' 39' ' ' VAL . 4.3 mm? -65.1 -24.75 67.53 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.567 175.05 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -74.17 -36.9 64.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.007 -179.003 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 10.7 p -83.55 -27.13 7.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.768 0.318 . . . . 0.0 111.639 -174.289 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.439 HG12 ' O ' ' A' ' 108' ' ' LEU . 8.8 p -67.27 -28.46 42.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 121.379 0.609 . . . . 0.0 110.238 178.859 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 112' ' ' GLN . . . . . 0.524 ' HG2' HG12 ' B' ' 27' ' ' VAL . 24.7 mt-30 -70.89 -20.59 62.49 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.843 179.5 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -83.32 -34.0 25.78 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.622 -173.474 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' SER . . . . . 0.417 ' HB2' HD12 ' A' ' 58' ' ' ILE . 14.3 p -84.11 -46.89 11.47 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.277 -0.874 . . . . 0.0 112.034 -171.449 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.509 HG11 HD22 ' B' ' 81' ' ' LEU . 13.8 p -106.09 -14.11 9.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-O 121.121 0.486 . . . . 0.0 111.179 -174.785 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -63.86 -16.69 59.7 Favored Glycine 0 N--CA 1.452 -0.295 0 CA-C-N 115.885 -0.598 . . . . 0.0 112.726 -178.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -96.75 9.29 42.16 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.824 0.345 . . . . 0.0 110.837 178.726 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 118' ' ' TYR . . . . . 0.451 ' HB3' HD23 ' A' ' 76' ' ' LEU . 61.3 m-85 -119.98 -31.09 4.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.964 0.412 . . . . 0.0 110.24 176.877 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.443 HG21 HG21 ' B' ' 27' ' ' VAL . 30.9 m -85.99 -0.34 6.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.132 176.096 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.469 0 C-N-CA 120.914 -0.66 . . . . 0.0 111.876 179.056 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.249 0 N-CA-C 111.943 -0.463 . . . . 0.0 111.943 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' -4' ' ' SER . . . . . . . . . . . . . 30.2 p -149.76 168.84 22.53 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.655 0.264 . . . . 0.0 110.564 -178.577 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' -3' ' ' GLY . . . . . . . . . . . . . . . 153.51 -163.31 30.68 Favored Glycine 0 N--CA 1.446 -0.655 0 N-CA-C 111.465 -0.654 . . . . 0.0 111.465 -179.728 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' -2' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -89.5 79.34 6.93 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.377 0.608 . . . . 0.0 110.124 178.812 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' -1' ' ' SER . . . . . . . . . . . . . 13.7 m -79.0 99.85 7.05 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.417 -0.81 . . . . 0.0 110.11 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 60.5 t -112.86 116.49 52.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.448 -179.568 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 17.0 p -81.77 93.63 6.86 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.182 179.17 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 12.9 m -66.83 131.9 46.89 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.884 178.839 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . 128.1 -54.47 0.78 Allowed Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 120.416 -0.897 . . . . 0.0 113.156 175.704 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . 91.8 -47.95 2.76 Favored Glycine 0 N--CA 1.453 -0.203 0 N-CA-C 110.852 -0.899 . . . . 0.0 110.852 -174.031 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 6' ' ' TYR . . . . . . . . . . . . . 34.4 p90 -67.37 133.45 49.63 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 171.851 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -168.29 168.63 41.02 Favored Glycine 0 N--CA 1.444 -0.802 0 N-CA-C 110.062 -1.215 . . . . 0.0 110.062 178.05 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 45.2 m-85 48.63 -89.64 0.02 OUTLIER 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 123.128 0.571 . . . . 0.0 111.258 -175.892 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -105.33 88.76 0.59 Allowed Glycine 0 N--CA 1.442 -0.957 0 N-CA-C 110.246 -1.142 . . . . 0.0 110.246 172.578 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 75.9 p -71.0 3.82 3.09 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 112.333 0.494 . . . . 0.0 112.333 -173.532 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 46.2 m -154.07 -172.44 4.22 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 -176.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -77.9 13.18 1.45 Allowed 'General case' 0 CA--C 1.53 0.209 0 CA-C-O 121.136 0.493 . . . . 0.0 111.423 -179.511 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -70.54 -19.49 62.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.669 177.123 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -145.3 168.52 20.26 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.268 178.5 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 15' ' ' GLY . . . . . 0.515 ' O ' ' HA3' ' B' ' 25' ' ' GLY . . . -163.87 90.43 0.1 Allowed Glycine 0 N--CA 1.445 -0.701 0 C-N-CA 119.78 -1.2 . . . . 0.0 113.122 -179.026 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . 174.99 94.71 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 123.353 0.661 . . . . 0.0 109.406 173.729 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 54.69 54.1 35.08 Favored Glycine 0 N--CA 1.449 -0.44 0 N-CA-C 111.211 -0.755 . . . . 0.0 111.211 -172.525 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 18' ' ' VAL . . . . . 0.475 HG23 ' H ' ' B' ' 19' ' ' ALA . 0.5 OUTLIER -88.43 -67.8 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 N-CA-C 112.157 0.429 . . . . 0.0 112.157 -174.678 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 19' ' ' ALA . . . . . 0.475 ' H ' HG23 ' B' ' 18' ' ' VAL . . . -102.29 172.9 6.62 Favored 'General case' 0 C--N 1.316 -0.861 0 C-N-CA 120.997 -0.281 . . . . 0.0 110.327 -175.686 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.81 -46.14 90.16 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.825 0.345 . . . . 0.0 111.232 -178.302 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -135.6 37.96 1.85 Allowed Glycine 0 N--CA 1.448 -0.56 0 C-N-CA 120.604 -0.808 . . . . 0.0 111.98 -177.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 22' ' ' SER . . . . . 0.411 ' O ' HG23 ' B' ' 18' ' ' VAL . 8.3 m -155.01 129.67 9.23 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.609 -0.296 . . . . 0.0 110.532 179.804 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 23' ' ' TYR . . . . . 0.421 ' CE1' ' HA ' ' B' ' 74' ' ' GLU . 0.3 OUTLIER -148.57 117.45 6.71 Favored 'General case' 0 N--CA 1.446 -0.644 0 CA-C-N 116.123 -0.49 . . . . 0.0 109.693 -178.038 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -87.16 -15.34 38.65 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.574 -177.551 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 25' ' ' GLY . . . . . 0.515 ' HA3' ' O ' ' B' ' 15' ' ' GLY . . . -70.54 -18.8 75.83 Favored Glycine 0 CA--C 1.506 -0.486 0 C-N-CA 120.818 -0.706 . . . . 0.0 111.999 179.05 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 26' ' ' ALA . . . . . 0.748 ' HB1' ' HB2' ' B' ' 78' ' ' GLN . . . -88.33 6.37 37.48 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-O 121.294 0.569 . . . . 0.0 110.144 177.165 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 27' ' ' VAL . . . . . 0.531 HG13 HD13 ' B' ' 81' ' ' LEU . 2.6 t -114.95 -50.68 4.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.398 -179.522 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 2.0 p-10 -72.08 -1.21 13.96 Favored 'General case' 0 N--CA 1.465 0.283 0 N-CA-C 112.25 0.463 . . . . 0.0 112.25 -175.271 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -104.33 8.55 35.95 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.517 -0.473 . . . . 0.0 110.2 174.689 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 30' ' ' LEU . . . . . 0.542 HD11 ' HB3' ' B' ' 81' ' ' LEU . 75.7 mt -72.13 -32.35 66.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.589 176.663 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 14.1 p -73.82 3.46 6.58 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.936 179.214 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 35.8 t -85.69 157.78 20.22 Favored 'General case' 0 N--CA 1.45 -0.464 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 175.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -58.97 -22.88 61.09 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.256 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -50.98 -55.68 16.13 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.131 -179.744 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 35' ' ' ALA . . . . . 0.43 ' O ' HG23 ' B' ' 39' ' ' VAL . . . -69.81 -49.16 55.4 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.247 -179.072 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.36 -13.51 13.53 Favored 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 112.248 0.462 . . . . 0.0 112.248 -177.632 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 50.8 m -89.98 -20.31 23.43 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.635 0.255 . . . . 0.0 111.454 175.731 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 61.0 mtm-85 -101.91 -51.95 3.29 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 -177.601 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 39' ' ' VAL . . . . . 0.506 HG21 HD11 ' A' ' 108' ' ' LEU . 59.2 t -53.1 -42.8 46.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 114.784 -1.098 . . . . 0.0 111.629 -178.866 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 4.5 m -72.27 -6.98 46.86 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.846 -176.618 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 21.4 t -99.3 -7.16 26.74 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.735 0.779 . . . . 0.0 109.183 176.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -100.14 -24.78 14.49 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.318 -0.856 . . . . 0.0 109.765 -176.854 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 43' ' ' ILE . . . . . 0.593 HG13 ' N ' ' B' ' 44' ' ' ALA . 6.2 pt -55.73 -40.51 61.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 114.898 -1.046 . . . . 0.0 111.76 -177.881 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 44' ' ' ALA . . . . . 0.593 ' N ' HG13 ' B' ' 43' ' ' ILE . . . -81.47 -11.0 59.37 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.193 0.521 . . . . 0.0 110.912 -176.069 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -89.86 -49.57 6.54 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.097 -178.603 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 56.2 mt -67.26 -36.11 75.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.556 -179.736 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 47' ' ' ALA . . . . . 0.639 ' HB1' HD13 ' A' ' 96' ' ' ILE . . . -64.84 -15.05 61.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.496 -178.678 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 25.4 t -108.98 -5.8 15.94 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.174 -177.356 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -126.78 -31.08 0.78 Allowed Glycine 0 CA--C 1.518 0.276 0 C-N-CA 120.274 -0.965 . . . . 0.0 113.444 -176.283 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 80.72 -78.27 1.9 Allowed Glycine 0 N--CA 1.446 -0.677 0 N-CA-C 111.307 -0.717 . . . . 0.0 111.307 -179.343 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -121.24 -19.09 7.19 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-O 121.245 0.545 . . . . 0.0 110.455 179.543 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 4.6 m -70.79 -18.86 62.74 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.87 -176.62 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -90.64 -16.15 29.16 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.971 -176.493 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 54' ' ' LEU . . . . . 0.45 HD11 HG11 ' A' ' 88' ' ' VAL . 55.5 mt -53.75 -58.09 14.68 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.984 -175.052 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 55' ' ' PRO . . . . . 0.432 ' HD2' ' N ' ' B' ' 54' ' ' LEU . 18.7 Cg_endo -60.59 -25.96 81.87 Favored 'Trans proline' 0 C--N 1.351 0.703 0 C-N-CA 122.095 1.863 . . . . 0.0 112.439 -176.903 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 18.6 m -87.1 -34.07 19.25 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.145 0.498 . . . . 0.0 111.107 -177.537 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 73.1 t -82.18 -41.08 17.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.43 -175.701 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 58' ' ' ILE . . . . . 0.537 HG12 HD22 ' B' ' 83' ' ' LEU . 85.4 mt -55.91 -40.5 62.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-O 121.1 0.476 . . . . 0.0 110.303 175.936 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 8.0 t -64.54 -43.15 94.89 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.245 -178.44 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -63.88 -47.6 80.02 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.596 -0.729 . . . . 0.0 111.482 -179.501 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 44.9 mt -67.27 -47.05 82.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.108 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 62' ' ' TYR . . . . . 0.496 ' O ' HG23 ' B' ' 66' ' ' VAL . 44.5 t80 -55.66 -52.28 64.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.567 -177.522 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 22.6 t -60.17 -33.9 72.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.017 0.437 . . . . 0.0 110.335 179.144 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -67.78 -38.81 89.88 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.971 -0.633 . . . . 0.0 112.14 179.732 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 65' ' ' VAL . . . . . 0.672 HG12 HG11 ' B' ' 70' ' ' VAL . 69.2 t -73.72 -41.67 54.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-O 120.958 0.409 . . . . 0.0 111.001 178.63 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 66' ' ' VAL . . . . . 0.496 HG23 ' O ' ' B' ' 62' ' ' TYR . 93.4 t -61.8 -35.79 69.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.99 -178.893 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.28 -12.18 59.44 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.727 177.197 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 68' ' ' SER . . . . . 0.456 ' HB3' ' O ' ' B' ' 65' ' ' VAL . 43.8 t -83.62 -8.98 59.19 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.856 -179.783 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 88.67 30.45 15.46 Favored Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.582 -0.818 . . . . 0.0 112.338 179.272 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.672 HG11 HG12 ' B' ' 65' ' ' VAL . 13.3 p -82.1 161.5 3.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 N-CA-C 109.998 -0.371 . . . . 0.0 109.998 179.099 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 36.4 t -68.29 154.16 42.31 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 175.611 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 5.7 p -57.11 -63.57 1.17 Allowed 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.421 0.526 . . . . 0.0 112.421 -172.855 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -72.13 -21.93 61.4 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.082 0.468 . . . . 0.0 110.514 -176.739 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 74' ' ' GLU . . . . . 0.421 ' HA ' ' CE1' ' B' ' 23' ' ' TYR . 42.5 tt0 -72.0 -30.19 64.98 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.378 178.878 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.97 -33.59 72.14 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.135 178.879 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 76' ' ' LEU . . . . . 0.441 HD23 ' HB3' ' B' ' 118' ' ' TYR . 2.0 tm? -58.06 -52.57 64.99 Favored 'General case' 0 C--N 1.332 -0.154 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 179.062 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 77' ' ' ILE . . . . . 0.699 ' O ' ' HG ' ' B' ' 81' ' ' LEU . 37.8 mm -60.94 -55.06 27.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.432 -0.803 . . . . 0.0 110.734 -178.833 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 78' ' ' GLN . . . . . 0.748 ' HB2' ' HB1' ' B' ' 26' ' ' ALA . 37.2 tp60 -54.06 -48.16 70.87 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.447 -179.357 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.05 -38.88 89.45 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.184 -178.861 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 80' ' ' LEU . . . . . 0.566 ' O ' HD23 ' B' ' 84' ' ' LEU . 5.3 mt -68.87 -42.83 76.49 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.908 -0.317 . . . . 0.0 111.198 179.843 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 81' ' ' LEU . . . . . 0.699 ' HG ' ' O ' ' B' ' 77' ' ' ILE . 59.5 mt -60.87 -35.03 75.54 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.13 0.49 . . . . 0.0 110.487 -179.619 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -66.96 -41.37 87.02 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.83 173.443 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 83' ' ' LEU . . . . . 0.537 ' O ' ' HG ' ' B' ' 87' ' ' LEU . 49.2 tp -64.35 -42.03 96.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.0 0.429 . . . . 0.0 110.463 178.368 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 84' ' ' LEU . . . . . 0.697 HD21 HD21 ' A' ' 84' ' ' LEU . 4.3 mm? -63.01 -12.4 25.7 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.46 -179.781 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 85' ' ' SER . . . . . 0.407 ' OG ' HD13 ' A' ' 108' ' ' LEU . 39.2 m -95.15 -34.66 12.18 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.802 0.334 . . . . 0.0 110.678 179.595 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 86' ' ' ALA . . . . . 0.442 ' HB2' HG13 ' B' ' 39' ' ' VAL . . . -66.5 -43.55 85.0 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.239 0.542 . . . . 0.0 110.856 -176.264 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 87' ' ' LEU . . . . . 0.537 ' HG ' ' O ' ' B' ' 83' ' ' LEU . 1.2 pp -82.34 -17.45 45.65 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.553 -0.749 . . . . 0.0 112.838 -172.108 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 88' ' ' VAL . . . . . 0.455 HG13 HD12 ' B' ' 87' ' ' LEU . 16.9 m -91.58 -27.35 4.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 C-N-CA 120.213 -0.595 . . . . 0.0 110.874 177.218 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 89' ' ' HIS . . . . . . . . . . . . . 61.9 t60 -64.71 -37.69 88.45 Favored 'General case' 0 N--CA 1.455 -0.215 0 CA-C-O 120.855 0.36 . . . . 0.0 110.032 178.174 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 90' ' ' VAL . . . . . 0.51 ' HA ' HG11 ' A' ' 99' ' ' VAL . 31.7 m -65.2 -26.19 39.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.418 -175.844 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 91' ' ' LEU . . . . . 0.625 ' HA ' ' HB3' ' B' ' 94' ' ' ALA . 3.4 mm? -65.6 -21.52 66.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.194 -179.616 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 22.3 t -64.86 -25.99 68.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.967 0.413 . . . . 0.0 110.529 -179.658 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 93' ' ' SER . . . . . 0.46 ' HB3' HG12 ' A' ' 99' ' ' VAL . 22.6 t -120.86 13.4 11.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.376 0.608 . . . . 0.0 110.05 178.576 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 94' ' ' ALA . . . . . 0.625 ' HB3' ' HA ' ' B' ' 91' ' ' LEU . . . -110.28 92.64 4.13 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.243 178.752 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 21.5 t -75.93 91.46 3.03 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.41 179.244 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 96' ' ' ILE . . . . . 0.692 HD13 ' HB1' ' A' ' 47' ' ' ALA . 20.5 tt -63.98 146.18 13.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.254 -0.885 . . . . 0.0 111.64 -177.258 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 97' ' ' GLY . . . . . . . . . . . . . . . -92.07 -110.4 1.78 Allowed Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 120.925 -0.655 . . . . 0.0 112.296 179.317 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 98' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -115.2 108.55 16.75 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.689 0.28 . . . . 0.0 111.035 -178.408 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 99' ' ' VAL . . . . . 0.521 ' CG1' HD11 ' B' ' 96' ' ' ILE . 2.7 m -104.03 128.62 57.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 120.908 0.385 . . . . 0.0 110.631 174.485 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 100' ' ' SER . . . . . . . . . . . . . 70.9 m -105.99 147.6 28.66 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.523 -179.779 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 101' ' ' SER . . . . . 0.4 ' HB3' ' HB2' ' A' ' 40' ' ' SER . 36.9 m -76.6 56.5 1.14 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.11 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 9.1 p -146.17 135.97 17.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 116.074 -0.512 . . . . 0.0 109.919 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . 92.46 -1.34 72.37 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 121.05 -0.595 . . . . 0.0 112.128 179.048 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 104' ' ' VAL . . . . . . . . . . . . . 29.1 t -63.46 -31.8 54.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.576 0.227 . . . . 0.0 110.566 179.527 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -49.44 -45.22 46.26 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.332 -179.117 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 54.1 m -70.21 -23.73 62.99 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.606 -178.342 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 13.2 m -72.49 -32.0 65.82 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.201 0.524 . . . . 0.0 109.616 177.846 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 108' ' ' LEU . . . . . 0.534 ' O ' ' HG3' ' B' ' 112' ' ' GLN . 4.3 mm? -63.87 -27.67 69.32 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.512 175.637 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 109' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -72.09 -39.32 69.02 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.321 -178.036 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 110' ' ' VAL . . . . . . . . . . . . . 11.7 p -80.66 -31.57 12.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 C-N-CA 120.901 -0.32 . . . . 0.0 111.373 -174.094 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 111' ' ' VAL . . . . . 0.504 HG12 ' O ' ' B' ' 108' ' ' LEU . 8.5 p -62.47 -31.24 51.21 Favored 'Isoleucine or valine' 0 C--O 1.235 0.293 0 CA-C-O 121.239 0.542 . . . . 0.0 110.258 -179.783 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 112' ' ' GLN . . . . . 0.534 ' HG3' ' O ' ' B' ' 108' ' ' LEU . 27.8 mt-30 -62.8 -30.59 71.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.434 -0.803 . . . . 0.0 111.142 -178.884 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 113' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -80.96 -32.75 34.31 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.383 -175.88 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 9.0 m -75.16 -40.15 59.8 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.192 -0.913 . . . . 0.0 112.125 -172.594 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 115' ' ' VAL . . . . . . . . . . . . . 8.1 p -116.01 -17.87 7.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-O 121.013 0.435 . . . . 0.0 111.592 -174.66 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 116' ' ' GLY . . . . . . . . . . . . . . . -60.91 -24.73 63.07 Favored Glycine 0 C--O 1.228 -0.253 0 C-N-CA 121.182 -0.533 . . . . 0.0 113.277 -177.635 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.84 9.12 28.7 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.816 0.341 . . . . 0.0 111.057 -179.493 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 118' ' ' TYR . . . . . 0.441 ' HB3' HD23 ' B' ' 76' ' ' LEU . 96.9 m-85 -117.31 -27.08 6.52 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.116 0.484 . . . . 0.0 109.93 177.779 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 119' ' ' VAL . . . . . 0.508 ' O ' ' HB3' ' A' ' 22' ' ' SER . 34.6 m -87.05 1.25 6.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.026 172.685 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.019 0 CA-C-N 115.086 -0.961 . . . . 0.0 110.953 177.25 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.81 0 N-CA-C 112.207 -0.357 . . . . 0.0 112.207 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 20.3 m -139.9 160.4 39.99 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 110.007 -0.368 . . . . 0.0 110.007 178.533 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . -86.56 103.77 2.85 Favored Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 120.832 -0.699 . . . . 0.0 111.697 178.276 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' -2' ' ' ASN . . . . . . . . . . . . . 84.1 m-20 -65.05 -66.29 0.56 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.029 0.442 . . . . 0.0 110.736 -176.839 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 39.1 m -124.84 87.84 2.78 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.064 0.459 . . . . 0.0 110.606 179.46 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 30.7 m -94.06 -168.18 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.113 177.5 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.588 ' OG1' ' HB ' ' B' ' 1' ' ' VAL . 6.2 p -74.57 152.22 39.33 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.929 0.395 . . . . 0.0 111.076 178.664 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.5 m -92.93 85.14 5.06 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.732 -175.404 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -86.47 139.53 16.68 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.87 -0.681 . . . . 0.0 111.796 174.682 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -131.76 -92.5 0.56 Allowed Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.541 -0.838 . . . . 0.0 112.966 -177.346 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.5 ' HA ' ' O ' ' A' ' 9' ' ' GLY . 41.8 p90 -56.31 139.1 49.4 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.051 0.453 . . . . 0.0 110.185 179.808 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.495 ' H ' ' HB ' ' A' ' 10' ' ' THR . . . 109.82 -50.13 0.8 Allowed Glycine 0 N--CA 1.448 -0.559 0 N-CA-C 110.297 -1.121 . . . . 0.0 110.297 -172.88 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 95.4 m-85 -86.03 -28.46 24.13 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 108.685 -0.857 . . . . 0.0 108.685 171.446 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.5 ' O ' ' HA ' ' A' ' 6' ' ' TYR . . . -154.61 116.57 0.74 Allowed Glycine 0 N--CA 1.448 -0.547 0 N-CA-C 109.82 -1.312 . . . . 0.0 109.82 171.75 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.495 ' HB ' ' H ' ' A' ' 7' ' ' GLY . 9.0 t -156.93 -24.21 0.09 Allowed 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 113.319 0.859 . . . . 0.0 113.319 -171.475 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 60.4 m -160.85 -43.34 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.298 0 N-CA-C 112.222 0.453 . . . . 0.0 112.222 -172.4 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -168.64 43.9 0.04 OUTLIER 'General case' 0 C--O 1.232 0.18 0 CA-C-O 120.789 0.328 . . . . 0.0 111.032 -175.858 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -92.95 -161.84 0.88 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.973 0.416 . . . . 0.0 111.62 -178.078 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -84.2 178.11 7.93 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.916 -178.178 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.427 ' HA3' ' N ' ' A' ' 25' ' ' GLY . . . -154.21 97.26 0.17 Allowed Glycine 0 N--CA 1.447 -0.619 0 C-N-CA 119.761 -1.209 . . . . 0.0 114.173 -176.929 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 173.94 87.24 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 123.628 0.771 . . . . 0.0 109.086 172.45 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 58.18 47.43 89.39 Favored Glycine 0 CA--C 1.519 0.307 0 C-N-CA 120.531 -0.842 . . . . 0.0 111.745 -171.003 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 2.4 m -90.56 -36.16 8.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 N-CA-C 112.58 0.585 . . . . 0.0 112.58 -174.223 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -136.03 -177.59 4.77 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 120.761 0.315 . . . . 0.0 111.033 -177.576 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -96.06 43.18 1.08 Allowed 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.097 0.475 . . . . 0.0 110.154 178.73 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.705 ' HA3' ' N ' ' B' ' 21' ' ' GLY . . . 160.74 -36.94 0.43 Allowed Glycine 0 N--CA 1.445 -0.726 0 CA-C-N 115.781 -0.645 . . . . 0.0 112.528 -178.766 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.415 ' HB3' ' O ' ' B' ' 119' ' ' VAL . 25.1 m -98.81 128.87 45.15 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-O 120.629 0.252 . . . . 0.0 111.426 179.504 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.427 ' OH ' ' HB3' ' A' ' 73' ' ' ASN . 0.3 OUTLIER -152.03 122.19 7.17 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 174.943 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -76.27 -22.64 54.85 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-O 121.274 0.559 . . . . 0.0 110.649 176.472 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.427 ' N ' ' HA3' ' A' ' 15' ' ' GLY . . . -67.3 -27.45 73.51 Favored Glycine 0 N--CA 1.449 -0.453 0 CA-C-N 115.893 -0.594 . . . . 0.0 112.176 -178.655 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -74.88 -0.17 17.62 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.333 0.587 . . . . 0.0 109.991 177.427 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.516 HG22 ' CD1' ' A' ' 81' ' ' LEU . 3.2 t -109.31 -45.32 6.59 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.645 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.439 178.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 25.1 m120 -64.05 -34.29 77.69 Favored 'General case' 0 N--CA 1.465 0.285 0 C-N-CA 120.718 -0.393 . . . . 0.0 110.609 -178.835 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 30.1 ttp180 -63.22 -12.22 26.97 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.74 -179.277 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.662 ' HB3' HD12 ' B' ' 108' ' ' LEU . 85.3 mt -69.64 -26.02 64.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.429 -179.768 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 62.0 p -75.92 -7.02 53.58 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.144 0.497 . . . . 0.0 111.143 -176.567 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 39.1 t -81.88 166.89 19.53 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.017 179.223 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.27 -14.44 49.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.185 179.124 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -55.92 -63.08 1.29 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.869 178.872 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.453 ' O ' HG23 ' A' ' 39' ' ' VAL . . . -61.28 -51.69 67.84 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.615 -0.721 . . . . 0.0 111.46 -177.757 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.59 -13.32 20.89 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.949 0.404 . . . . 0.0 111.861 -177.289 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 34.3 t -89.8 -19.95 24.08 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.464 -0.334 . . . . 0.0 111.559 175.572 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.591 ' HD2' ' OE1' ' A' ' 82' ' ' GLU . 55.3 mtt180 -104.21 -54.14 2.6 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.551 -0.536 . . . . 0.0 109.551 -177.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.482 HG21 HD11 ' B' ' 108' ' ' LEU . 61.9 t -51.23 -43.51 28.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 114.834 -1.075 . . . . 0.0 111.704 -178.732 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.426 ' HB3' ' HB3' ' B' ' 101' ' ' SER . 2.8 m -72.53 -8.04 53.1 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.58 -175.841 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 28.4 t -95.0 -12.97 25.71 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.884 0.85 . . . . 0.0 109.17 174.807 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.463 ' HB3' HG11 ' A' ' 57' ' ' VAL . 12.2 m120 -98.96 -26.55 14.22 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.033 -0.985 . . . . 0.0 110.162 -174.31 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.602 HG13 ' N ' ' A' ' 44' ' ' ALA . 8.9 pt -55.38 -41.58 62.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.309 -0.859 . . . . 0.0 111.285 179.272 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.602 ' N ' HG13 ' A' ' 43' ' ' ILE . . . -80.43 -3.18 48.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.058 0.456 . . . . 0.0 110.841 -176.384 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -100.95 -52.43 3.29 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.394 178.855 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.467 ' HA ' ' CB ' ' A' ' 53' ' ' ALA . 45.1 mt -64.47 -34.09 67.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.712 -178.797 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.562 ' HB1' HD13 ' B' ' 96' ' ' ILE . . . -63.78 -17.91 63.54 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.733 -179.345 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 32.7 t -98.88 -29.08 13.15 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.192 -176.562 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -105.78 -27.6 5.66 Favored Glycine 0 CA--C 1.518 0.241 0 C-N-CA 120.4 -0.905 . . . . 0.0 113.155 -176.768 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 75.02 -78.84 1.04 Allowed Glycine 0 N--CA 1.447 -0.622 0 N-CA-C 111.315 -0.714 . . . . 0.0 111.315 -177.7 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -110.59 -29.19 8.14 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-O 121.358 0.599 . . . . 0.0 110.226 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 13.9 m -72.21 -11.71 60.85 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.788 -177.6 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.467 ' CB ' ' HA ' ' A' ' 46' ' ' ILE . . . -94.47 -13.72 25.89 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.776 -178.761 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.423 HD11 HG11 ' B' ' 88' ' ' VAL . 49.7 mt -55.64 -57.82 19.04 Favored Pre-proline 0 CA--C 1.534 0.36 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.696 -178.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.423 ' HD3' ' HB2' ' A' ' 54' ' ' LEU . 36.9 Cg_endo -66.45 -24.25 49.7 Favored 'Trans proline' 0 C--N 1.352 0.749 0 C-N-CA 121.884 1.723 . . . . 0.0 112.342 -179.301 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.9 m -77.74 -31.29 52.04 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.071 0.462 . . . . 0.0 110.74 -179.659 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.463 HG11 ' HB3' ' A' ' 42' ' ' ASN . 68.9 t -96.73 -43.16 12.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.609 -174.105 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.433 HG12 ' HG ' ' A' ' 83' ' ' LEU . 47.2 mt -56.89 -42.08 77.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.699 0.285 . . . . 0.0 110.862 -179.808 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 70.4 m -70.61 -15.24 62.73 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.051 0.453 . . . . 0.0 111.103 -178.403 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 74.7 m-20 -82.54 -49.36 9.97 Favored 'General case' 0 CA--C 1.516 -0.333 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.528 173.542 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.472 ' O ' HG23 ' A' ' 65' ' ' VAL . 34.2 mt -67.47 -46.79 82.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.907 -178.674 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.518 ' O ' HG23 ' A' ' 66' ' ' VAL . 49.4 t80 -54.9 -56.31 20.96 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.686 -177.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 26.0 t -61.47 -29.8 70.2 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.501 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -65.12 -44.68 93.74 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.871 -0.681 . . . . 0.0 111.638 178.195 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.735 HG12 HG11 ' A' ' 70' ' ' VAL . 24.4 t -71.76 -40.2 69.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-O 120.911 0.386 . . . . 0.0 110.548 178.865 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.518 HG23 ' O ' ' A' ' 62' ' ' TYR . 89.6 t -63.96 -31.7 54.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.702 178.673 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -68.32 -12.92 61.82 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.433 -0.348 . . . . 0.0 111.301 176.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 21.9 t -81.87 -14.88 55.61 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.034 0.445 . . . . 0.0 109.858 176.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 90.57 36.36 6.95 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.943 -0.646 . . . . 0.0 112.355 179.125 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.735 HG11 HG12 ' A' ' 65' ' ' VAL . 13.9 p -94.05 163.84 2.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 C-N-CA 122.14 0.176 . . . . 0.0 110.736 -179.521 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.433 ' N ' HG22 ' A' ' 70' ' ' VAL . 40.0 t -65.84 146.54 54.62 Favored 'General case' 0 C--O 1.233 0.21 0 N-CA-C 110.205 -0.294 . . . . 0.0 110.205 175.605 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 13.7 m -55.08 -46.94 75.49 Favored 'General case' 0 CA--C 1.534 0.361 0 N-CA-C 112.433 0.531 . . . . 0.0 112.433 -174.57 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.427 ' HB3' ' OH ' ' A' ' 23' ' ' TYR . 0.2 OUTLIER -76.35 -33.76 58.96 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.747 -0.381 . . . . 0.0 110.74 -174.253 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -69.85 -32.62 71.11 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 178.289 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.563 ' HB2' HG13 ' A' ' 70' ' ' VAL . . . -62.55 -38.84 91.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.671 176.255 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.514 HD23 ' HB3' ' A' ' 118' ' ' TYR . 2.8 tm? -56.45 -53.76 53.63 Favored 'General case' 0 CA--C 1.518 -0.281 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.758 177.729 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.66 ' O ' ' HG ' ' A' ' 81' ' ' LEU . 40.5 mm -61.11 -54.57 33.53 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.013 -178.722 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 33.6 tp60 -52.77 -50.08 64.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.012 179.374 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.64 -40.17 94.98 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.12 -177.892 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.603 ' O ' HD23 ' A' ' 84' ' ' LEU . 2.3 mm? -63.42 -40.0 96.0 Favored 'General case' 0 C--O 1.22 -0.47 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.977 178.024 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.686 HD22 HG11 ' B' ' 115' ' ' VAL . 25.2 mt -73.32 -33.39 65.11 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 120.816 0.341 . . . . 0.0 111.055 -176.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.591 ' OE1' ' HD2' ' A' ' 38' ' ' ARG . 43.3 mt-10 -68.43 -26.67 65.64 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.493 0.664 . . . . 0.0 110.508 171.115 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.433 ' HG ' HG12 ' A' ' 58' ' ' ILE . 3.4 tm? -76.87 -41.83 42.37 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.649 177.279 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.603 HD23 ' O ' ' A' ' 80' ' ' LEU . 4.0 mm? -70.72 -7.14 42.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.767 -0.651 . . . . 0.0 112.194 -177.648 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -99.62 -30.89 11.86 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 120.989 0.423 . . . . 0.0 110.649 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.506 ' O ' HG13 ' A' ' 90' ' ' VAL . . . -65.26 -46.78 79.15 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.779 -179.049 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.481 ' O ' HG22 ' A' ' 90' ' ' VAL . 1.2 pp -78.52 -13.79 59.66 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 113.275 0.843 . . . . 0.0 113.275 -172.196 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.452 HG11 HD11 ' B' ' 54' ' ' LEU . 15.7 m -94.91 -21.59 5.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 121.926 -0.484 . . . . 0.0 110.676 176.561 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' HIS . . . . . 0.431 ' CD2' HG22 ' B' ' 104' ' ' VAL . 65.1 t60 -73.8 -29.96 62.47 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 176.388 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.589 ' HA ' HG11 ' B' ' 99' ' ' VAL . 15.1 m -65.76 -27.79 42.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 C-N-CA 120.594 -0.442 . . . . 0.0 111.324 -177.197 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.621 ' HA ' ' HB3' ' A' ' 94' ' ' ALA . 3.7 mm? -65.99 -19.71 65.95 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.203 179.738 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 32.9 t -57.33 -30.06 64.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.284 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 8.9 t -131.96 16.24 4.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.445 0.641 . . . . 0.0 110.126 -179.805 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.621 ' HB3' ' HA ' ' A' ' 91' ' ' LEU . . . -101.38 95.56 6.58 Favored 'General case' 0 N--CA 1.446 -0.627 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.018 176.48 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 26.1 t -71.56 95.68 1.44 Allowed 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.903 -0.589 . . . . 0.0 109.764 179.055 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.799 HD13 ' HB1' ' B' ' 47' ' ' ALA . 15.1 tt -70.56 144.33 13.75 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.506 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.146 179.051 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -98.35 -90.69 1.96 Allowed Glycine 0 N--CA 1.448 -0.512 0 C-N-CA 120.921 -0.657 . . . . 0.0 112.673 -177.553 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -139.92 101.3 4.14 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.814 0.34 . . . . 0.0 111.127 -176.748 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.48 ' CG1' HD11 ' A' ' 96' ' ' ILE . 15.4 m -93.53 142.4 13.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.75 178.253 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 15.4 m -111.65 147.52 35.33 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.264 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 2.8 p -78.8 -0.87 32.21 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.937 0.399 . . . . 0.0 111.691 -178.689 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 44.9 t -97.61 114.38 34.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.473 -177.164 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 121.1 -6.41 10.96 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 121.01 -0.614 . . . . 0.0 112.477 179.081 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 42.9 t -61.82 -30.5 48.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 120.461 0.172 . . . . 0.0 110.901 179.58 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -48.72 -41.03 30.58 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.204 179.524 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 40.9 m -73.83 -27.37 61.06 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.849 -177.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 21.9 m -71.65 -30.96 66.31 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.984 0.421 . . . . 0.0 110.326 -178.062 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.538 ' O ' HG12 ' A' ' 111' ' ' VAL . 4.5 mm? -60.48 -29.87 69.34 Favored 'General case' 0 C--O 1.224 -0.249 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.688 176.397 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 16.2 m-80 -73.5 -19.86 60.82 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.336 -179.494 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 28.3 t -89.83 -36.25 8.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 120.938 0.399 . . . . 0.0 110.865 -176.891 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.538 HG12 ' O ' ' A' ' 108' ' ' LEU . 11.1 p -63.26 -26.99 42.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 121.43 0.633 . . . . 0.0 110.49 -179.785 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 112' ' ' GLN . . . . . 0.51 ' HG2' HG12 ' B' ' 27' ' ' VAL . 22.7 mt-30 -69.13 -21.72 64.0 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.972 179.783 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -81.53 -39.72 24.24 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.807 -176.332 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' SER . . . . . 0.416 ' HB2' HD12 ' A' ' 58' ' ' ILE . 10.0 p -78.93 -39.32 35.03 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.418 -0.81 . . . . 0.0 112.318 -169.067 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 12.7 p -114.73 -18.97 7.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-O 120.822 0.344 . . . . 0.0 111.812 -173.861 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -61.45 -26.0 65.82 Favored Glycine 0 N--CA 1.453 -0.179 0 C-N-CA 120.874 -0.679 . . . . 0.0 112.648 -177.318 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -86.4 9.28 18.54 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.662 0.267 . . . . 0.0 111.43 -178.441 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 118' ' ' TYR . . . . . 0.514 ' HB3' HD23 ' A' ' 76' ' ' LEU . 75.7 m-85 -120.67 -31.3 4.29 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.746 0.308 . . . . 0.0 111.094 176.631 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 28.9 m -84.99 -1.64 6.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 0.0 112.079 -178.755 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.222 0 C-N-CA 120.449 -0.881 . . . . 0.0 112.481 178.992 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.386 0 N-CA-C 111.735 -0.546 . . . . 0.0 111.735 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' -4' ' ' SER . . . . . . . . . . . . . 23.3 m -140.96 87.58 2.11 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.999 0.428 . . . . 0.0 110.457 -179.781 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' -3' ' ' GLY . . . . . . . . . . . . . . . -108.59 94.23 0.84 Allowed Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 120.829 -0.701 . . . . 0.0 111.982 -179.552 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' -2' ' ' ASN . . . . . . . . . . . . . 29.2 p-10 -102.88 -12.29 17.65 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.946 0.403 . . . . 0.0 110.622 -179.138 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' -1' ' ' SER . . . . . . . . . . . . . 7.2 m -92.51 42.11 1.09 Allowed 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.385 0.612 . . . . 0.0 110.356 -178.732 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 1' ' ' VAL . . . . . 0.588 ' HB ' ' OG1' ' A' ' 2' ' ' THR . 25.6 m -90.3 -171.61 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.392 -175.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 22.7 p -95.45 -173.41 2.89 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.104 -177.844 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 15.9 p -132.63 124.54 28.51 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.753 0.311 . . . . 0.0 111.275 -176.76 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -133.07 -99.05 0.69 Allowed Glycine 0 N--CA 1.449 -0.5 0 C-N-CA 120.841 -0.695 . . . . 0.0 111.927 177.5 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . 170.45 -84.44 0.09 OUTLIER Glycine 0 N--CA 1.447 -0.605 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.128 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 6' ' ' TYR . . . . . . . . . . . . . 52.9 p90 -81.97 134.57 35.39 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.199 0.523 . . . . 0.0 110.648 -178.18 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . 175.19 -82.11 0.07 OUTLIER Glycine 0 N--CA 1.448 -0.509 0 N-CA-C 111.364 -0.695 . . . . 0.0 111.364 179.499 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 8' ' ' TYR . . . . . 0.445 ' HB2' ' O ' ' B' ' 18' ' ' VAL . 94.6 m-85 -79.5 -29.09 41.45 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 173.412 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -135.23 162.69 24.83 Favored Glycine 0 N--CA 1.44 -1.066 0 N-CA-C 110.032 -1.227 . . . . 0.0 110.032 175.422 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 3.1 t -176.11 -39.45 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.936 0.368 . . . . 0.0 110.558 -179.228 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 40.9 m -159.4 -66.98 0.08 Allowed 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 178.867 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -145.87 106.03 4.04 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.188 178.473 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -153.69 -70.9 0.14 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.405 -178.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -144.86 169.07 18.76 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.131 178.496 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 15' ' ' GLY . . . . . 0.489 ' HA3' ' HB3' ' B' ' 24' ' ' ALA . . . -151.38 82.75 0.17 Allowed Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 120.354 -0.927 . . . . 0.0 113.505 -179.89 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 16' ' ' ALA . . . . . 0.552 ' H ' HG13 ' B' ' 18' ' ' VAL . . . -164.96 88.06 0.45 Allowed 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 174.819 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 60.24 40.01 96.77 Favored Glycine 0 CA--C 1.52 0.381 0 C-N-CA 120.779 -0.724 . . . . 0.0 111.792 -173.515 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 18' ' ' VAL . . . . . 0.552 HG13 ' H ' ' B' ' 16' ' ' ALA . 3.4 m -83.77 -39.45 14.98 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.164 0 N-CA-C 112.304 0.483 . . . . 0.0 112.304 -174.154 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -134.87 -159.98 1.01 Allowed 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 110.183 -0.303 . . . . 0.0 110.183 -178.801 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -105.74 -36.07 7.17 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.292 0.568 . . . . 0.0 110.172 172.761 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 21' ' ' GLY . . . . . 0.705 ' N ' ' HA3' ' A' ' 21' ' ' GLY . . . -120.51 28.64 6.16 Favored Glycine 0 N--CA 1.446 -0.638 0 C-N-CA 120.585 -0.817 . . . . 0.0 111.554 -178.874 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 14.6 m -160.06 118.29 2.66 Favored 'General case' 0 N--CA 1.443 -0.815 0 CA-C-O 120.608 0.242 . . . . 0.0 111.432 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 23' ' ' TYR . . . . . 0.578 ' CE1' ' HA ' ' B' ' 74' ' ' GLU . 0.2 OUTLIER -150.89 128.95 11.8 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 171.032 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 24' ' ' ALA . . . . . 0.489 ' HB3' ' HA3' ' B' ' 15' ' ' GLY . . . -76.82 -32.82 57.86 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 120.799 0.333 . . . . 0.0 111.148 179.7 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.32 -30.48 67.84 Favored Glycine 0 N--CA 1.453 -0.217 0 C-N-CA 121.386 -0.435 . . . . 0.0 112.809 -179.458 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -72.17 -15.32 61.96 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.585 0.707 . . . . 0.0 110.013 179.162 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 27' ' ' VAL . . . . . 0.51 HG12 ' HG2' ' A' ' 112' ' ' GLN . 3.9 t -94.19 -40.01 11.05 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 CA-C-N 115.571 -0.741 . . . . 0.0 110.626 -177.759 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 28.3 m120 -64.27 -28.47 69.75 Favored 'General case' 0 N--CA 1.465 0.3 0 N-CA-C 111.846 0.313 . . . . 0.0 111.846 -176.8 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 14.2 ptt180 -89.0 14.78 9.79 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.994 0.426 . . . . 0.0 111.145 -175.761 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 30' ' ' LEU . . . . . 0.651 HD11 ' HB3' ' B' ' 81' ' ' LEU . 96.1 mt -80.07 -26.7 39.52 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.59 177.619 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 56.0 p -71.99 -6.36 41.63 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.369 0.604 . . . . 0.0 110.536 179.793 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 67.9 m -76.96 153.01 35.01 Favored 'General case' 0 N--CA 1.441 -0.919 0 CA-C-N 115.569 -0.741 . . . . 0.0 111.052 179.84 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.09 -20.43 53.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.28 179.419 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -51.6 -58.29 6.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.446 176.608 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 35' ' ' ALA . . . . . 0.57 ' O ' HG23 ' B' ' 39' ' ' VAL . . . -63.88 -52.19 61.09 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.436 -0.802 . . . . 0.0 111.096 -178.521 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -57.79 -22.26 46.33 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 112.014 0.376 . . . . 0.0 112.014 -175.786 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 24.1 t -86.48 -12.41 49.02 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 111.752 0.278 . . . . 0.0 111.752 179.138 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 38' ' ' ARG . . . . . 0.56 ' HD2' ' OE1' ' B' ' 82' ' ' GLU . 59.9 mtt180 -104.21 -52.61 2.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.592 0.711 . . . . 0.0 109.112 178.689 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 39' ' ' VAL . . . . . 0.57 HG23 ' O ' ' B' ' 35' ' ' ALA . 39.6 t -55.27 -37.89 45.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 114.139 -1.391 . . . . 0.0 111.814 -176.421 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 40' ' ' SER . . . . . 0.425 ' O ' HG12 ' B' ' 43' ' ' ILE . 63.9 p -71.75 -11.58 60.89 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.917 0.389 . . . . 0.0 111.773 -177.834 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 12.8 t -94.67 -14.71 24.6 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.595 0.712 . . . . 0.0 109.335 178.012 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 11.3 m120 -93.44 -25.58 17.58 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.186 -0.915 . . . . 0.0 109.926 -174.883 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 43' ' ' ILE . . . . . 0.58 HG13 ' N ' ' B' ' 44' ' ' ALA . 4.9 pt -56.99 -37.34 54.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 114.978 -1.01 . . . . 0.0 111.108 -179.697 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 44' ' ' ALA . . . . . 0.58 ' N ' HG13 ' B' ' 43' ' ' ILE . . . -82.19 -2.49 52.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.614 -175.759 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -102.13 -51.12 3.46 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.962 0.411 . . . . 0.0 110.636 178.794 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 46' ' ' ILE . . . . . 0.471 ' HA ' ' CB ' ' B' ' 53' ' ' ALA . 38.1 mt -66.27 -32.68 59.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.615 -178.258 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 47' ' ' ALA . . . . . 0.799 ' HB1' HD13 ' A' ' 96' ' ' ILE . . . -60.22 -26.48 66.44 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.224 179.322 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 73.8 m -98.39 -42.27 7.43 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.923 -176.606 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -87.11 -22.12 46.53 Favored Glycine 0 CA--C 1.518 0.239 0 C-N-CA 120.568 -0.825 . . . . 0.0 113.198 -175.576 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 72.88 -78.2 0.77 Allowed Glycine 0 N--CA 1.448 -0.508 0 N-CA-C 111.968 -0.453 . . . . 0.0 111.968 179.839 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -117.28 -30.07 5.7 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-O 121.053 0.454 . . . . 0.0 110.592 -178.788 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 39.7 m -73.57 -7.33 51.45 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.315 0.579 . . . . 0.0 110.428 -179.342 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 53' ' ' ALA . . . . . 0.471 ' CB ' ' HA ' ' B' ' 46' ' ' ILE . . . -84.12 -25.25 29.84 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.381 179.049 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 54' ' ' LEU . . . . . 0.501 ' O ' HG13 ' B' ' 58' ' ' ILE . 52.3 mt -52.44 -58.52 11.42 Favored Pre-proline 0 CA--C 1.535 0.395 0 CA-C-N 115.882 -0.599 . . . . 0.0 112.223 -176.504 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 55' ' ' PRO . . . . . 0.428 ' HD3' ' HB2' ' B' ' 54' ' ' LEU . 36.2 Cg_endo -66.24 -13.58 40.5 Favored 'Trans proline' 0 C--N 1.352 0.714 0 C-N-CA 121.988 1.792 . . . . 0.0 112.573 -176.766 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 16.1 m -96.02 -18.25 20.36 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.798 -179.129 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 57' ' ' VAL . . . . . 0.402 HG23 ' O ' ' B' ' 53' ' ' ALA . 68.9 t -104.61 -40.52 6.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.36 -175.463 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 58' ' ' ILE . . . . . 0.603 HG12 HD22 ' B' ' 83' ' ' LEU . 43.6 mt -56.27 -43.81 77.79 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.227 0 CA-C-O 120.857 0.36 . . . . 0.0 110.822 -179.07 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 22.5 t -67.5 -29.03 68.34 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.681 -177.325 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 63.9 m-20 -69.14 -49.57 55.74 Favored 'General case' 0 CA--C 1.517 -0.313 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.727 178.343 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 33.8 mt -67.59 -43.76 86.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.803 179.37 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 62' ' ' TYR . . . . . 0.478 ' O ' HG23 ' B' ' 66' ' ' VAL . 39.5 t80 -54.4 -56.44 18.65 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.715 -178.679 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 14.1 t -61.46 -30.87 70.87 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.495 -179.111 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -62.5 -44.9 96.93 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 121.199 -0.524 . . . . 0.0 111.991 178.751 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 65' ' ' VAL . . . . . 0.626 HG11 ' HG2' ' B' ' 78' ' ' GLN . 21.1 t -75.98 -39.76 37.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 120.834 0.35 . . . . 0.0 110.928 -179.345 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 66' ' ' VAL . . . . . 0.478 HG23 ' O ' ' B' ' 62' ' ' TYR . 84.5 t -58.4 -40.43 78.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.923 0.392 . . . . 0.0 110.823 179.509 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -69.64 -11.18 60.64 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.651 179.557 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 15.3 t -84.05 -22.15 31.34 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.729 0.299 . . . . 0.0 110.47 -179.359 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 105.9 31.91 4.01 Favored Glycine 0 C--N 1.33 0.206 0 C-N-CA 120.636 -0.792 . . . . 0.0 112.595 -179.227 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.519 HG11 HG12 ' B' ' 65' ' ' VAL . 11.6 p -85.46 160.36 3.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 178.139 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 46.9 t -64.89 142.84 58.3 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 174.04 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 3.7 m -51.39 -51.72 52.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 112.171 -174.436 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -80.14 -23.81 40.89 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.93 0.395 . . . . 0.0 110.555 -174.578 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 74' ' ' GLU . . . . . 0.578 ' HA ' ' CE1' ' B' ' 23' ' ' TYR . 38.4 tt0 -72.79 -27.17 61.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.222 179.034 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.63 -36.68 81.47 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.387 179.527 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -58.9 -48.98 79.51 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.795 0.331 . . . . 0.0 110.266 179.338 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 77' ' ' ILE . . . . . 0.727 ' O ' ' HG ' ' B' ' 81' ' ' LEU . 32.9 mm -63.06 -55.42 23.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.872 -179.397 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 78' ' ' GLN . . . . . 0.626 ' HG2' HG11 ' B' ' 65' ' ' VAL . 28.5 tp60 -53.88 -50.11 67.05 Favored 'General case' 0 C--N 1.33 -0.267 0 O-C-N 123.326 0.391 . . . . 0.0 111.313 179.536 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.28 -36.78 83.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.135 -178.226 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 80' ' ' LEU . . . . . 0.591 ' O ' HD23 ' B' ' 84' ' ' LEU . 6.8 mt -69.75 -42.41 73.93 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.864 -0.334 . . . . 0.0 110.831 177.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 81' ' ' LEU . . . . . 0.727 ' HG ' ' O ' ' B' ' 77' ' ' ILE . 61.0 mt -57.29 -43.21 82.97 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.19 0.519 . . . . 0.0 110.433 178.647 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 82' ' ' GLU . . . . . 0.56 ' OE1' ' HD2' ' B' ' 38' ' ' ARG . 43.4 mt-10 -65.77 -38.25 88.54 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.717 176.649 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 83' ' ' LEU . . . . . 0.603 HD22 HG12 ' B' ' 58' ' ' ILE . 38.9 tp -64.21 -43.13 95.97 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.184 0.516 . . . . 0.0 110.573 178.587 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 84' ' ' LEU . . . . . 0.591 HD23 ' O ' ' B' ' 80' ' ' LEU . 4.2 mm? -65.78 -8.02 19.15 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.355 -0.839 . . . . 0.0 111.707 -178.211 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 85' ' ' SER . . . . . 0.429 ' OG ' HD13 ' A' ' 108' ' ' LEU . 20.5 m -97.91 -27.36 14.31 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 120.819 0.343 . . . . 0.0 110.871 179.136 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 86' ' ' ALA . . . . . 0.443 ' HB2' HG13 ' B' ' 39' ' ' VAL . . . -74.71 -45.31 45.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.406 0.622 . . . . 0.0 110.669 -177.088 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 87' ' ' LEU . . . . . 0.48 HD12 ' N ' ' B' ' 88' ' ' VAL . 1.1 pp -78.15 -18.86 55.04 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.402 -0.817 . . . . 0.0 112.687 -172.634 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 88' ' ' VAL . . . . . 0.48 ' N ' HD12 ' B' ' 87' ' ' LEU . 17.0 m -89.62 -26.63 5.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 C-N-CA 120.383 -0.527 . . . . 0.0 110.73 177.586 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 89' ' ' HIS . . . . . . . . . . . . . 45.6 t60 -67.72 -35.43 78.77 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.051 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 90' ' ' VAL . . . . . 0.467 ' HA ' HG11 ' A' ' 99' ' ' VAL . 27.5 m -66.44 -26.01 36.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.591 -175.923 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 91' ' ' LEU . . . . . 0.631 ' HA ' ' HB3' ' B' ' 94' ' ' ALA . 3.3 mm? -66.28 -22.57 66.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.673 -0.239 . . . . 0.0 110.934 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 31.2 t -57.7 -31.78 66.72 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.412 179.295 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 10.4 t -123.51 19.84 9.58 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-O 121.593 0.711 . . . . 0.0 109.889 -179.602 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 94' ' ' ALA . . . . . 0.631 ' HB3' ' HA ' ' B' ' 91' ' ' LEU . . . -110.53 94.81 5.19 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.096 176.433 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 22.7 t -76.47 94.02 3.62 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.223 0.535 . . . . 0.0 109.868 -179.199 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 96' ' ' ILE . . . . . 0.562 HD13 ' HB1' ' A' ' 47' ' ' ALA . 12.8 tt -72.28 149.86 8.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.124 177.868 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 97' ' ' GLY . . . . . . . . . . . . . . . -84.53 -86.82 0.89 Allowed Glycine 0 N--CA 1.451 -0.339 0 N-CA-C 110.651 -0.979 . . . . 0.0 110.651 172.736 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 98' ' ' ASN . . . . . . . . . . . . . 57.7 t30 -153.3 149.87 28.34 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 108.814 -0.81 . . . . 0.0 108.814 169.766 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 99' ' ' VAL . . . . . 0.589 HG11 ' HA ' ' A' ' 90' ' ' VAL . 3.6 m -127.12 120.45 55.41 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.834 0 CA-C-O 121.168 0.508 . . . . 0.0 110.602 178.932 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 100' ' ' SER . . . . . . . . . . . . . 48.5 m -84.51 156.22 21.79 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.679 -0.692 . . . . 0.0 110.927 -177.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 101' ' ' SER . . . . . 0.426 ' HB3' ' HB3' ' A' ' 40' ' ' SER . 16.9 m -77.83 38.39 0.26 Allowed 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.686 -176.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 56.8 t -124.66 120.44 58.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.13 -176.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . 106.84 -9.84 40.6 Favored Glycine 0 N--CA 1.447 -0.575 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.559 178.443 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 104' ' ' VAL . . . . . 0.431 HG22 ' CD2' ' A' ' 89' ' ' HIS . 21.9 t -63.26 -31.99 54.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 120.631 0.253 . . . . 0.0 110.392 179.856 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -48.46 -45.15 36.24 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.54 179.745 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 12.8 m -74.73 -23.74 58.61 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.198 -0.91 . . . . 0.0 111.616 -177.775 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 25.1 m -75.57 -31.89 60.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.024 0.44 . . . . 0.0 109.944 -178.089 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 108' ' ' LEU . . . . . 0.662 HD12 ' HB3' ' A' ' 30' ' ' LEU . 3.9 mm? -57.34 -38.06 73.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.516 175.388 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 109' ' ' ASN . . . . . . . . . . . . . 20.0 m-80 -66.29 -24.32 66.53 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.199 -178.727 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 110' ' ' VAL . . . . . . . . . . . . . 29.0 t -81.79 -42.56 19.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.953 0.406 . . . . 0.0 110.587 -178.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 111' ' ' VAL . . . . . 0.6 HG12 ' O ' ' B' ' 108' ' ' LEU . 9.8 p -62.71 -28.37 44.76 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.269 0 CA-C-O 121.296 0.57 . . . . 0.0 110.387 -177.87 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 112' ' ' GLN . . . . . 0.565 ' HG3' ' O ' ' B' ' 108' ' ' LEU . 26.2 mt-30 -66.4 -29.39 69.54 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.991 179.883 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 113' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -73.25 -34.89 66.1 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.479 -175.07 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 5.9 m -82.63 -35.89 26.57 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.412 -0.813 . . . . 0.0 112.184 -170.358 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 115' ' ' VAL . . . . . 0.686 HG11 HD22 ' A' ' 81' ' ' LEU . 12.5 p -108.66 -23.22 4.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 C-N-CA 120.917 -0.313 . . . . 0.0 111.783 -172.138 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 116' ' ' GLY . . . . . . . . . . . . . . . -59.2 -25.56 60.23 Favored Glycine 0 C--N 1.332 0.361 0 C-N-CA 121.383 -0.437 . . . . 0.0 113.163 -175.528 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -85.16 2.25 44.44 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 112.041 0.385 . . . . 0.0 112.041 -177.784 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 118' ' ' TYR . . . . . . . . . . . . . 71.6 m-85 -117.55 -30.52 5.48 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.721 0.296 . . . . 0.0 110.989 177.23 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 119' ' ' VAL . . . . . 0.42 HG21 HG21 ' A' ' 27' ' ' VAL . 29.6 m -85.77 -2.3 7.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.318 179.605 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.255 1.467 0 N-CA-C 109.983 -1.247 . . . . 0.0 109.983 177.029 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 18.8 m . . . . . 0 N--CA 1.445 -0.694 0 CA-C-O 120.893 0.377 . . . . 0.0 110.977 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -147.15 125.78 12.53 Favored 'General case' 0 N--CA 1.447 -0.582 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.787 178.072 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.449 ' HB2' ' HA3' ' B' ' 120' ' ' GLY . . . -86.21 -16.84 36.46 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 111.99 0.367 . . . . 0.0 111.99 -175.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.58 -30.6 78.35 Favored Glycine 0 CA--C 1.511 -0.17 0 C-N-CA 120.597 -0.811 . . . . 0.0 111.533 -178.299 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.572 ' HB1' ' HB2' ' A' ' 78' ' ' GLN . . . -67.89 -16.88 64.29 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 114.942 -0.629 . . . . 0.0 110.949 176.44 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.524 HG22 ' CD1' ' A' ' 81' ' ' LEU . 2.9 t -95.44 -41.66 11.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.868 -175.432 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 31.7 m-80 -68.25 -20.06 64.77 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.278 -0.569 . . . . 0.0 110.526 -178.345 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 65.9 ttt180 -77.25 -5.62 50.02 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.095 179.68 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.572 HD11 ' HB3' ' A' ' 81' ' ' LEU . 72.9 mt -76.38 -27.71 56.48 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.211 -178.871 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 43.3 p -81.18 9.27 7.13 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.56 0.695 . . . . 0.0 110.207 178.558 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 44.2 t -97.46 152.75 18.66 Favored 'General case' 0 N--CA 1.444 -0.753 0 CA-C-N 115.012 -0.995 . . . . 0.0 109.227 177.527 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.32 -18.35 61.17 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.05 0.452 . . . . 0.0 111.381 -177.195 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.409 ' H ' ' HG3' ' A' ' 34' ' ' GLU . 28.7 mt-10 -54.3 -58.09 8.73 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.663 178.547 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.613 ' O ' HG23 ' A' ' 39' ' ' VAL . . . -59.95 -51.98 67.34 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.478 177.735 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -51.26 -34.03 30.89 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.971 -0.558 . . . . 0.0 111.925 -176.174 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 50.2 m -72.69 -24.62 61.04 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.96 -178.36 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.505 ' HD2' ' OE1' ' A' ' 82' ' ' GLU . 73.3 mtt180 -98.2 -45.12 6.32 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.799 0.809 . . . . 0.0 109.437 -176.483 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.613 HG23 ' O ' ' A' ' 35' ' ' ALA . 42.0 t -61.97 -43.47 97.61 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.851 0 CA-C-N 114.293 -1.321 . . . . 0.0 111.278 -176.477 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.473 ' O ' HG12 ' A' ' 43' ' ' ILE . 96.6 p -75.16 -11.26 60.04 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.012 0.434 . . . . 0.0 111.07 -178.167 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 35.8 t -87.5 -17.64 31.66 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.069 0.461 . . . . 0.0 110.082 -179.727 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 41.8 m-80 -114.43 -1.63 13.43 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.29 -174.14 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.473 HG12 ' O ' ' A' ' 40' ' ' SER . 4.2 pt -57.92 -41.31 79.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.931 176.526 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.467 ' N ' HG13 ' A' ' 43' ' ' ILE . . . -78.01 -11.79 59.93 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.993 -176.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -84.47 -53.1 5.66 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.226 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.423 HG21 ' HB3' ' A' ' 87' ' ' LEU . 50.2 mt -64.48 -33.78 65.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.34 179.517 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.784 ' HB1' HD13 ' B' ' 96' ' ' ILE . . . -62.84 -24.65 67.89 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.493 179.642 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 33.1 t -95.08 -42.66 8.49 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.263 -177.446 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -88.91 -22.73 37.8 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.488 -0.863 . . . . 0.0 113.205 -175.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 73.43 -77.14 0.91 Allowed Glycine 0 N--CA 1.449 -0.469 0 N-CA-C 111.522 -0.631 . . . . 0.0 111.522 -178.113 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -119.97 -20.28 7.55 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-O 121.258 0.552 . . . . 0.0 110.065 178.395 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 12.8 m -74.19 -11.23 60.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.767 -178.298 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.407 ' HB3' ' HA ' ' A' ' 46' ' ' ILE . . . -93.44 -15.65 25.38 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.777 -179.795 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.448 ' N ' ' HD2' ' A' ' 55' ' ' PRO . 54.1 mt -55.52 -57.11 22.66 Favored Pre-proline 0 CA--C 1.535 0.376 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.969 -176.768 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.448 ' HD2' ' N ' ' A' ' 54' ' ' LEU . 17.9 Cg_endo -61.42 -20.34 68.02 Favored 'Trans proline' 0 C--N 1.352 0.733 0 C-N-CA 122.253 1.969 . . . . 0.0 112.484 -177.262 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 15.1 m -89.28 -43.94 10.6 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.96 0.41 . . . . 0.0 110.781 179.628 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 76.7 t -76.58 -39.75 32.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.545 -172.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.457 HG12 ' HG ' ' A' ' 83' ' ' LEU . 57.3 mt -60.27 -36.54 69.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.098 176.362 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 37.8 t -68.87 -39.6 79.75 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 116.136 -0.484 . . . . 0.0 109.94 179.651 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -60.8 -47.69 85.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.655 178.64 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 63.0 mt -74.54 -45.98 43.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 115.659 -0.7 . . . . 0.0 111.752 -175.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.417 ' O ' HG23 ' A' ' 66' ' ' VAL . 61.7 t80 -54.54 -50.74 67.18 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.657 -0.247 . . . . 0.0 111.308 -177.392 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 32.9 t -60.56 -31.38 70.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.941 0.401 . . . . 0.0 110.456 179.69 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -69.04 -38.72 84.45 Favored Glycine 0 N--CA 1.448 -0.544 0 C-N-CA 120.757 -0.735 . . . . 0.0 111.587 -179.471 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.738 HG12 HG11 ' A' ' 70' ' ' VAL . 48.7 t -72.43 -46.0 57.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 120.892 0.377 . . . . 0.0 110.94 179.301 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.417 HG23 ' O ' ' A' ' 62' ' ' TYR . 59.0 t -62.24 -30.72 49.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.898 -178.76 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.01 -19.32 62.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.956 -0.565 . . . . 0.0 112.017 179.284 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 22.9 m -75.79 -21.67 57.15 Favored 'General case' 0 N--CA 1.445 -0.691 0 CA-C-O 120.936 0.398 . . . . 0.0 111.237 178.727 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 93.0 42.34 4.4 Favored Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 120.628 -0.796 . . . . 0.0 111.721 -175.756 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.738 HG11 HG12 ' A' ' 65' ' ' VAL . 9.8 p -100.02 157.9 3.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 179.065 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 42.0 t -57.81 140.59 51.36 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 110.309 -0.256 . . . . 0.0 110.309 176.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 4.4 m -53.46 -44.83 69.24 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.964 0.412 . . . . 0.0 111.845 -176.086 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -76.47 -32.93 58.67 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.717 -174.561 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -75.21 -30.28 60.56 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.045 0.45 . . . . 0.0 109.859 177.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.635 ' HB2' HG13 ' A' ' 70' ' ' VAL . . . -61.76 -39.7 92.53 Favored 'General case' 0 CA--C 1.519 -0.247 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.61 175.173 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.487 HD23 ' HB3' ' A' ' 118' ' ' TYR . 2.9 tm? -54.24 -49.3 69.79 Favored 'General case' 0 CA--C 1.517 -0.301 0 CA-C-N 115.802 -0.636 . . . . 0.0 109.494 177.094 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.684 ' O ' ' HG ' ' A' ' 81' ' ' LEU . 41.6 mm -62.3 -55.13 25.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 115.51 -0.768 . . . . 0.0 111.227 -177.669 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . 0.572 ' HB2' ' HB1' ' A' ' 26' ' ' ALA . 53.5 tt0 -56.22 -50.13 72.14 Favored 'General case' 0 CA--C 1.52 -0.188 0 CA-C-O 120.885 0.374 . . . . 0.0 110.858 -178.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.11 -40.1 88.53 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.58 -0.736 . . . . 0.0 111.124 -178.279 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.683 ' O ' ' HG ' ' A' ' 84' ' ' LEU . 3.3 mm? -65.1 -43.35 92.36 Favored 'General case' 0 C--O 1.221 -0.398 0 CA-C-N 116.635 -0.257 . . . . 0.0 110.594 175.455 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.684 ' HG ' ' O ' ' A' ' 77' ' ' ILE . 45.2 mt -65.72 -40.04 91.79 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.519 0.199 . . . . 0.0 111.329 -178.094 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.505 ' OE1' ' HD2' ' A' ' 38' ' ' ARG . 51.3 mt-10 -61.68 -40.23 94.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.215 0.531 . . . . 0.0 109.751 172.827 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.457 ' HG ' HG12 ' A' ' 58' ' ' ILE . 3.4 tm? -62.31 -43.56 98.53 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.393 177.501 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.683 ' HG ' ' O ' ' A' ' 80' ' ' LEU . 13.3 mt -63.53 -16.16 59.98 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.274 -177.19 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 36.3 m -92.74 -29.62 15.94 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 120.836 0.351 . . . . 0.0 111.234 -173.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -69.27 -43.37 74.02 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.322 0.582 . . . . 0.0 110.659 -177.441 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.481 HD12 HG13 ' A' ' 88' ' ' VAL . 1.3 pp -82.39 -16.55 48.67 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.464 -0.789 . . . . 0.0 112.948 -172.107 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.491 HG11 HD11 ' B' ' 54' ' ' LEU . 15.8 m -91.02 -23.61 5.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 C-N-CA 120.094 -0.642 . . . . 0.0 110.485 177.756 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 60.1 t60 -72.53 -35.61 68.1 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.106 178.383 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 33.2 m -65.74 -27.13 40.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.208 -176.346 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.582 ' HA ' ' HB3' ' A' ' 94' ' ' ALA . 3.0 mm? -65.92 -22.84 66.52 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.651 0.262 . . . . 0.0 111.523 -179.498 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 27.0 t -63.98 -30.19 71.28 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.3 0.571 . . . . 0.0 110.354 179.472 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . 0.532 ' HB2' HG12 ' B' ' 99' ' ' VAL . 23.8 m -106.1 -25.84 11.86 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.079 -179.376 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.582 ' HB3' ' HA ' ' A' ' 91' ' ' LEU . . . -72.47 100.24 2.67 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.45 -0.795 . . . . 0.0 111.149 -179.658 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 5.2 p -71.76 89.29 1.03 Allowed 'General case' 0 N--CA 1.424 -1.751 0 CA-C-N 115.196 -0.911 . . . . 0.0 110.155 176.292 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.772 HD13 ' HB1' ' B' ' 47' ' ' ALA . 19.4 tt -70.42 142.78 15.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-O 120.918 0.389 . . . . 0.0 111.43 -177.51 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -92.21 -104.28 1.5 Allowed Glycine 0 N--CA 1.446 -0.652 0 C-N-CA 120.805 -0.712 . . . . 0.0 111.891 177.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -129.3 117.29 20.43 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.944 0.402 . . . . 0.0 110.532 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.551 HG13 HD11 ' A' ' 96' ' ' ILE . 6.2 m -97.32 137.45 24.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.989 178.542 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 12.8 m -93.44 152.82 18.85 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.169 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 14.9 m -86.72 28.58 0.87 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.979 0.419 . . . . 0.0 110.839 -179.58 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 7.2 p -127.86 137.66 56.94 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.484 0 CA-C-O 121.05 0.452 . . . . 0.0 110.256 -176.328 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 98.98 -8.59 61.22 Favored Glycine 0 N--CA 1.449 -0.497 0 CA-C-N 115.756 -0.656 . . . . 0.0 112.253 179.107 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 24.9 t -57.0 -37.26 53.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 175.679 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -51.76 -45.37 63.7 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.159 -0.928 . . . . 0.0 110.476 176.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 14.7 m -73.84 -37.56 64.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.439 -0.8 . . . . 0.0 111.118 -177.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 24.0 m -60.95 -38.58 86.35 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-O 121.171 0.51 . . . . 0.0 110.176 178.618 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.591 ' O ' ' HG3' ' A' ' 112' ' ' GLN . 3.6 mt -58.45 -33.38 69.67 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.472 -0.785 . . . . 0.0 111.316 177.288 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . 0.431 HD22 ' N ' ' A' ' 109' ' ' ASN . 0.9 OUTLIER -67.1 -24.32 65.93 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.913 0.387 . . . . 0.0 110.633 179.754 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 38.2 t -85.51 -39.86 14.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.98 -177.039 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.562 HG12 ' O ' ' A' ' 108' ' ' LEU . 9.0 p -61.6 -29.03 45.26 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.304 0 CA-C-O 121.383 0.611 . . . . 0.0 110.195 -178.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . 0.591 ' HG3' ' O ' ' A' ' 108' ' ' LEU . 24.7 mt-30 -66.62 -24.67 66.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.386 -0.824 . . . . 0.0 111.099 -179.511 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -79.27 -37.72 37.19 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.379 -176.048 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 4.3 m -75.8 -45.69 34.7 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.169 -0.923 . . . . 0.0 112.155 -171.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.543 HG11 HD22 ' B' ' 81' ' ' LEU . 11.6 p -109.63 -18.44 7.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-O 120.906 0.384 . . . . 0.0 111.68 -172.81 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -60.31 -26.89 64.62 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 121.024 -0.607 . . . . 0.0 112.553 -178.432 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.1 -3.49 58.12 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 111.456 0.169 . . . . 0.0 111.456 -179.285 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . 0.487 ' HB3' HD23 ' A' ' 76' ' ' LEU . 67.7 m-85 -106.68 -32.4 8.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.951 0.405 . . . . 0.0 110.282 178.161 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 32.8 m . . . . . 0 C--N 1.326 -0.416 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.462 176.655 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 10.6 m . . . . . 0 N--CA 1.444 -0.774 0 N-CA-C 110.171 -0.307 . . . . 0.0 110.171 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 23' ' ' TYR . . . . . 0.557 ' CE1' ' HA ' ' B' ' 74' ' ' GLU . 0.1 OUTLIER -149.7 118.53 6.64 Favored 'General case' 0 N--CA 1.447 -0.599 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.213 -178.092 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -78.32 -16.04 58.13 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.912 179.413 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -66.95 -26.84 73.23 Favored Glycine 0 C--N 1.332 0.309 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.808 179.689 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 26' ' ' ALA . . . . . 0.484 ' HB1' ' HB2' ' B' ' 78' ' ' GLN . . . -79.07 -3.49 45.53 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.057 0.456 . . . . 0.0 110.564 178.427 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 27' ' ' VAL . . . . . 0.499 HG13 HD13 ' B' ' 81' ' ' LEU . 2.7 t -107.89 -48.59 7.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.921 -176.586 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 10.9 p30 -76.46 4.74 8.49 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 121.1 0.476 . . . . 0.0 110.903 -177.045 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 80.0 ttt180 -93.81 -11.76 30.55 Favored 'General case' 0 N--CA 1.447 -0.58 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.856 175.112 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . 0.558 HD11 ' HB3' ' B' ' 81' ' ' LEU . 69.4 mt -71.58 -21.82 61.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.981 -176.416 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 2.9 p -76.99 0.14 22.29 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.142 179.044 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 31.6 t -86.72 157.84 19.55 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.947 178.393 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.59 -21.7 60.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.373 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -51.37 -63.21 1.21 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.802 -0.636 . . . . 0.0 111.085 179.383 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 35' ' ' ALA . . . . . 0.506 ' O ' HG23 ' B' ' 39' ' ' VAL . . . -59.93 -50.61 73.09 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.437 -0.801 . . . . 0.0 111.124 -178.465 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -54.75 -28.17 46.55 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 111.908 0.336 . . . . 0.0 111.908 -176.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 47.7 m -81.98 -20.36 38.67 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.285 -0.416 . . . . 0.0 112.07 -179.409 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 38' ' ' ARG . . . . . 0.434 ' HD2' ' OE1' ' B' ' 82' ' ' GLU . 56.7 mtt180 -98.12 -50.56 4.32 Favored 'General case' 0 CA--C 1.514 -0.427 0 CA-C-O 121.724 0.773 . . . . 0.0 109.093 -179.05 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 39' ' ' VAL . . . . . 0.521 ' O ' HG23 ' B' ' 43' ' ' ILE . 48.6 t -59.08 -33.2 49.64 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 CA-C-N 114.033 -1.44 . . . . 0.0 111.522 -175.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 56.3 p -73.0 -13.19 61.18 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.12 0.486 . . . . 0.0 111.189 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 29.8 t -91.31 -14.63 30.47 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.693 0.759 . . . . 0.0 109.214 177.18 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 42' ' ' ASN . . . . . 0.413 ' HB3' HG11 ' B' ' 57' ' ' VAL . 11.8 m120 -97.15 -24.96 15.49 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.079 -0.964 . . . . 0.0 110.257 -174.41 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 43' ' ' ILE . . . . . 0.541 HG13 ' N ' ' B' ' 44' ' ' ALA . 4.6 pt -56.33 -42.66 74.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.432 -0.803 . . . . 0.0 111.743 -176.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 44' ' ' ALA . . . . . 0.541 ' N ' HG13 ' B' ' 43' ' ' ILE . . . -77.06 -19.02 57.64 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.079 0.466 . . . . 0.0 110.704 -176.489 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -83.37 -51.3 7.52 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.572 -176.659 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 46' ' ' ILE . . . . . 0.496 HG21 ' HB3' ' B' ' 87' ' ' LEU . 53.0 mt -65.82 -36.06 76.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.185 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . 0.772 ' HB1' HD13 ' A' ' 96' ' ' ILE . . . -61.03 -28.82 69.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.247 -179.846 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 44.2 m -94.92 -5.66 44.3 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.884 -0.598 . . . . 0.0 112.042 -174.75 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -128.78 -28.9 0.78 Allowed Glycine 0 CA--C 1.517 0.181 0 C-N-CA 120.253 -0.975 . . . . 0.0 113.404 -176.111 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 80.48 -76.89 2.03 Favored Glycine 0 N--CA 1.447 -0.608 0 N-CA-C 111.127 -0.789 . . . . 0.0 111.127 -178.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -121.74 -17.1 7.52 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 121.17 0.509 . . . . 0.0 110.548 179.46 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 23.1 t -75.18 -11.3 60.05 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.841 -176.473 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -95.06 -16.82 22.38 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.048 -178.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 54' ' ' LEU . . . . . 0.491 HD11 HG11 ' A' ' 88' ' ' VAL . 50.0 mt -53.71 -58.49 12.91 Favored Pre-proline 0 C--N 1.326 -0.437 0 CA-C-N 116.177 -0.465 . . . . 0.0 112.092 -175.747 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 55' ' ' PRO . . . . . 0.437 ' HD2' ' N ' ' B' ' 54' ' ' LEU . 18.4 Cg_endo -60.71 -18.83 57.82 Favored 'Trans proline' 0 C--N 1.353 0.798 0 C-N-CA 122.298 1.999 . . . . 0.0 113.018 -176.267 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 20.1 m -96.46 -34.54 11.46 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.903 0.383 . . . . 0.0 111.208 -178.354 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . 0.413 HG11 ' HB3' ' B' ' 42' ' ' ASN . 73.6 t -82.57 -41.22 17.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.459 -176.125 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 58' ' ' ILE . . . . . 0.556 HG12 ' HG ' ' B' ' 83' ' ' LEU . 65.0 mt -56.76 -41.86 76.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.553 177.756 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 17.7 t -66.65 -41.38 88.33 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.337 -178.365 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 63.1 m-20 -58.66 -49.21 78.39 Favored 'General case' 0 CA--C 1.519 -0.238 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.058 178.647 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . 0.447 ' O ' HG23 ' B' ' 65' ' ' VAL . 41.9 mt -68.67 -44.52 82.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.182 -179.797 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 62' ' ' TYR . . . . . 0.45 ' O ' HG23 ' B' ' 66' ' ' VAL . 57.3 t80 -56.0 -50.44 70.87 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.141 -177.05 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 11.0 t -63.07 -29.96 71.22 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.965 0.412 . . . . 0.0 110.073 -179.354 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -70.22 -36.63 71.21 Favored Glycine 0 N--CA 1.45 -0.399 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.981 179.307 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 65' ' ' VAL . . . . . 0.728 HG12 HG11 ' B' ' 70' ' ' VAL . 59.9 t -76.89 -43.77 32.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 120.704 0.288 . . . . 0.0 111.024 -179.592 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 66' ' ' VAL . . . . . 0.45 HG23 ' O ' ' B' ' 62' ' ' TYR . 87.8 t -61.7 -35.89 70.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.904 0.383 . . . . 0.0 111.415 -178.342 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -70.46 -2.95 15.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.585 179.11 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 38.7 t -92.01 0.16 57.47 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.127 -179.532 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 85.08 25.55 40.21 Favored Glycine 0 N--CA 1.454 -0.14 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.212 177.597 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . 0.728 HG11 HG12 ' B' ' 65' ' ' VAL . 9.1 p -88.1 160.2 2.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 -179.305 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 33.2 t -66.71 141.64 57.69 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 176.318 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 7.8 m -55.45 -46.83 76.74 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.007 0.373 . . . . 0.0 112.007 -174.693 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -76.25 -27.54 56.76 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.949 0.404 . . . . 0.0 110.148 -176.882 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 74' ' ' GLU . . . . . 0.557 ' HA ' ' CE1' ' B' ' 23' ' ' TYR . 40.6 tt0 -74.85 -32.73 61.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.173 179.116 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . 0.492 ' HB2' HG13 ' B' ' 70' ' ' VAL . . . -60.09 -36.67 77.92 Favored 'General case' 0 CA--C 1.518 -0.259 0 CA-C-N 115.513 -0.767 . . . . 0.0 111.193 178.047 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 76' ' ' LEU . . . . . 0.516 HD23 ' HB3' ' B' ' 118' ' ' TYR . 3.1 tm? -55.22 -44.04 75.05 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.033 179.078 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 77' ' ' ILE . . . . . 0.668 ' O ' ' HG ' ' B' ' 81' ' ' LEU . 43.5 mm -66.15 -56.31 15.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.835 -178.394 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 78' ' ' GLN . . . . . 0.484 ' HB2' ' HB1' ' B' ' 26' ' ' ALA . 18.4 tt0 -58.03 -46.99 84.42 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-O 120.553 0.216 . . . . 0.0 111.199 -179.497 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.3 -37.19 82.31 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.988 0.423 . . . . 0.0 110.89 -178.589 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 80' ' ' LEU . . . . . 0.498 ' O ' HD23 ' B' ' 84' ' ' LEU . 5.1 mt -73.25 -39.63 65.29 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.105 178.65 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . 0.668 ' HG ' ' O ' ' B' ' 77' ' ' ILE . 35.5 mt -65.89 -38.48 88.88 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 120.695 0.283 . . . . 0.0 110.674 -179.494 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 82' ' ' GLU . . . . . 0.434 ' OE1' ' HD2' ' B' ' 38' ' ' ARG . 52.5 mt-10 -64.31 -35.19 80.06 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.298 172.228 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 83' ' ' LEU . . . . . 0.556 ' HG ' HG12 ' B' ' 58' ' ' ILE . 3.5 tm? -67.46 -43.87 80.01 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-O 121.231 0.539 . . . . 0.0 109.84 177.701 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 84' ' ' LEU . . . . . 0.498 HD23 ' O ' ' B' ' 80' ' ' LEU . 3.9 mm? -67.08 -10.39 49.5 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.458 -0.792 . . . . 0.0 112.008 -178.503 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 49.7 m -93.13 -30.49 15.23 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 120.965 0.412 . . . . 0.0 110.502 -177.671 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 86' ' ' ALA . . . . . 0.463 ' HB2' HG13 ' B' ' 39' ' ' VAL . . . -69.75 -43.11 72.93 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.924 -177.087 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 87' ' ' LEU . . . . . 0.496 ' HB3' HG21 ' B' ' 46' ' ' ILE . 1.2 pp -81.67 -18.67 43.73 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 112.999 0.74 . . . . 0.0 112.999 -171.651 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 88' ' ' VAL . . . . . 0.464 HG13 HD12 ' B' ' 87' ' ' LEU . 17.9 m -91.48 -20.52 6.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 C-N-CA 120.05 -0.66 . . . . 0.0 110.417 176.002 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 89' ' ' HIS . . . . . . . . . . . . . 79.5 t60 -69.79 -36.61 75.84 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.087 176.75 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 90' ' ' VAL . . . . . 0.429 HG22 ' O ' ' B' ' 87' ' ' LEU . 29.5 m -66.57 -26.9 38.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.854 -174.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 91' ' ' LEU . . . . . 0.611 ' HA ' ' HB3' ' B' ' 94' ' ' ALA . 3.5 mm? -65.82 -20.51 66.27 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.634 0.254 . . . . 0.0 111.217 -179.31 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 33.8 t -63.29 -29.02 70.42 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.024 0.44 . . . . 0.0 110.454 179.324 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 93' ' ' SER . . . . . 0.472 ' HB2' HG12 ' A' ' 99' ' ' VAL . 18.2 m -121.81 13.55 10.72 Favored 'General case' 0 N--CA 1.448 -0.534 0 CA-C-O 121.345 0.593 . . . . 0.0 110.563 -179.611 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 94' ' ' ALA . . . . . 0.611 ' HB3' ' HA ' ' B' ' 91' ' ' LEU . . . -107.23 99.15 8.71 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.537 179.243 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 11.1 t -74.6 93.58 2.54 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.186 0.517 . . . . 0.0 109.731 178.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 96' ' ' ILE . . . . . 0.784 HD13 ' HB1' ' A' ' 47' ' ' ALA . 21.3 tt -72.26 149.71 8.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.091 178.814 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 97' ' ' GLY . . . . . . . . . . . . . . . -106.61 -88.44 2.03 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.564 -0.826 . . . . 0.0 112.184 179.773 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 98' ' ' ASN . . . . . . . . . . . . . 6.3 t30 -134.95 115.85 14.03 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.668 0.27 . . . . 0.0 110.612 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 99' ' ' VAL . . . . . 0.67 HG13 HD11 ' B' ' 96' ' ' ILE . 6.0 m -95.57 161.73 2.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.643 177.164 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 100' ' ' SER . . . . . . . . . . . . . 33.2 m -117.47 146.05 43.77 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.466 -178.118 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 16.9 m -87.25 7.1 29.97 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.22 0.534 . . . . 0.0 110.591 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 7.5 p -113.21 128.5 69.96 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.615 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.868 -178.64 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . 109.84 -15.15 31.61 Favored Glycine 0 C--N 1.317 -0.487 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.617 -177.598 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 104' ' ' VAL . . . . . 0.417 ' O ' HD12 ' B' ' 108' ' ' LEU . 38.1 t -59.62 -34.79 56.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 120.921 0.391 . . . . 0.0 109.981 175.341 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -54.91 -43.31 73.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.12 -0.945 . . . . 0.0 109.52 177.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 2.1 m -74.95 -38.74 61.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.122 -0.945 . . . . 0.0 111.13 -178.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 44.8 m -58.96 -36.58 75.07 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-O 121.222 0.534 . . . . 0.0 110.488 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 108' ' ' LEU . . . . . 0.527 ' O ' HG12 ' B' ' 111' ' ' VAL . 1.9 mt -61.5 -24.54 66.67 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.354 -0.839 . . . . 0.0 111.985 179.053 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 109' ' ' ASN . . . . . 0.472 ' N ' HD22 ' B' ' 109' ' ' ASN . 0.9 OUTLIER -72.16 -27.96 62.92 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.957 0.408 . . . . 0.0 110.462 179.423 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 110' ' ' VAL . . . . . . . . . . . . . 22.8 t -83.62 -37.34 13.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.095 -175.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 111' ' ' VAL . . . . . 0.527 HG12 ' O ' ' B' ' 108' ' ' LEU . 10.6 p -60.8 -28.17 42.58 Favored 'Isoleucine or valine' 0 C--O 1.236 0.354 0 CA-C-O 121.371 0.605 . . . . 0.0 110.342 -179.259 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 112' ' ' GLN . . . . . 0.518 ' HG2' HG12 ' A' ' 27' ' ' VAL . 25.3 mt-30 -66.66 -24.99 66.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.394 -0.821 . . . . 0.0 111.022 -179.555 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 113' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -81.68 -35.22 30.12 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.3 0.571 . . . . 0.0 110.562 -175.609 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 6.3 m -74.42 -46.11 42.22 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.485 -0.779 . . . . 0.0 111.533 -172.433 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 115' ' ' VAL . . . . . 0.55 HG11 HD22 ' A' ' 81' ' ' LEU . 13.0 p -109.35 -16.64 8.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-O 121.022 0.439 . . . . 0.0 111.251 -174.621 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 116' ' ' GLY . . . . . 0.419 ' HA3' ' O ' ' B' ' 112' ' ' GLN . . . -64.0 -11.43 44.66 Favored Glycine 0 C--O 1.224 -0.525 0 CA-C-N 115.971 -0.559 . . . . 0.0 113.363 -177.873 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -97.71 1.5 48.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.931 0.366 . . . . 0.0 110.891 178.333 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 118' ' ' TYR . . . . . 0.516 ' HB3' HD23 ' B' ' 76' ' ' LEU . 69.8 m-85 -113.84 -28.92 7.24 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.274 0.559 . . . . 0.0 110.126 177.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 119' ' ' VAL . . . . . . . . . . . . . 34.8 m -92.11 -2.89 10.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.079 177.1 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 120' ' ' GLY . . . . . 0.449 ' HA3' ' HB2' ' A' ' 24' ' ' ALA . . . . . . . . 0 C--O 1.25 1.133 0 CA-C-O 118.492 -1.171 . . . . 0.0 112.217 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.507 ' HB3' ' O ' ' B' ' 119' ' ' VAL . 57.9 m . . . . . 0 C--O 1.234 0.241 0 N-CA-C 111.627 0.232 . . . . 0.0 111.627 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -153.94 134.75 13.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.044 177.733 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -93.43 -20.17 20.57 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.779 0.323 . . . . 0.0 111.095 176.428 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.08 -30.98 79.3 Favored Glycine 0 CA--C 1.508 -0.344 0 C-N-CA 121.043 -0.599 . . . . 0.0 112.316 -178.121 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.582 ' HB1' ' HB2' ' A' ' 78' ' ' GLN . . . -66.95 -16.41 64.33 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.182 0.515 . . . . 0.0 110.614 177.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.454 HG22 HD11 ' A' ' 81' ' ' LEU . 3.1 t -95.73 -42.04 12.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.863 -175.16 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 37.6 m-80 -66.88 -28.04 68.0 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-O 120.955 0.407 . . . . 0.0 110.981 -176.687 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 78.3 ttt180 -72.67 -12.27 60.96 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.277 -176.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.675 HD11 ' HB3' ' A' ' 81' ' ' LEU . 90.6 mt -65.42 -27.23 68.39 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.794 -176.611 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 15.7 p -74.86 -1.95 24.63 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.16 0.505 . . . . 0.0 111.498 -177.099 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 47.7 t -84.32 159.78 20.84 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.222 177.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.27 -16.93 61.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.046 178.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -54.13 -61.38 2.34 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.765 178.212 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.544 ' O ' HG23 ' A' ' 39' ' ' VAL . . . -61.2 -53.68 53.8 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.593 179.216 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.56 -36.49 34.84 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.163 -0.471 . . . . 0.0 112.162 -176.005 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 47.4 t -71.96 -26.21 62.18 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-O 120.833 0.349 . . . . 0.0 111.415 -178.34 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 93.9 mtt-85 -91.41 -47.9 7.19 Favored 'General case' 0 CA--C 1.514 -0.44 0 CA-C-O 121.8 0.809 . . . . 0.0 108.872 -177.761 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.544 HG23 ' O ' ' A' ' 35' ' ' ALA . 61.9 t -59.22 -35.6 58.65 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-N 114.022 -1.444 . . . . 0.0 111.256 -178.5 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.505 ' HB2' ' HB3' ' B' ' 101' ' ' SER . 78.0 p -73.17 -8.76 57.2 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.813 0.34 . . . . 0.0 111.892 -179.348 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 32.6 t -96.37 -17.59 20.53 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.623 0.725 . . . . 0.0 109.249 175.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . 0.435 ' OD1' HD11 ' A' ' 61' ' ' ILE . 9.5 m120 -87.09 -27.6 23.03 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.267 -0.879 . . . . 0.0 109.549 -176.092 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.497 HG13 ' N ' ' A' ' 44' ' ' ALA . 3.0 pt -59.19 -33.49 50.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.085 -0.962 . . . . 0.0 111.074 179.763 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.497 ' N ' HG13 ' A' ' 43' ' ' ILE . . . -89.9 6.37 42.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.108 0.48 . . . . 0.0 111.105 -178.686 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -109.45 -52.96 2.71 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.163 0.506 . . . . 0.0 110.061 177.507 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.43 ' HA ' ' HB3' ' A' ' 53' ' ' ALA . 64.8 mt -64.53 -35.1 73.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.096 -177.669 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.698 ' HB1' HD13 ' B' ' 96' ' ' ILE . . . -66.59 -11.33 52.85 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 112.124 0.416 . . . . 0.0 112.124 -177.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 32.7 t -104.38 -7.52 19.85 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.468 -177.369 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -134.3 -36.01 0.25 Allowed Glycine 0 N--CA 1.453 -0.179 0 C-N-CA 120.306 -0.95 . . . . 0.0 113.356 -175.795 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 85.33 -77.24 2.11 Favored Glycine 0 N--CA 1.444 -0.795 0 N-CA-C 111.165 -0.774 . . . . 0.0 111.165 -177.35 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -112.75 -22.9 10.46 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 121.089 0.471 . . . . 0.0 110.911 -177.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 8.9 p -74.1 -17.53 60.93 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.169 -177.154 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.43 ' HB3' ' HA ' ' A' ' 46' ' ' ILE . . . -88.73 -16.25 32.7 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.659 -178.761 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.428 ' N ' ' HD2' ' A' ' 55' ' ' PRO . 50.8 mt -54.52 -56.4 27.28 Favored Pre-proline 0 CA--C 1.534 0.347 0 CA-C-N 115.877 -0.602 . . . . 0.0 112.025 -176.169 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.428 ' HD2' ' N ' ' A' ' 54' ' ' LEU . 18.5 Cg_endo -62.7 -28.74 76.77 Favored 'Trans proline' 0 C--N 1.352 0.73 0 C-N-CA 121.899 1.733 . . . . 0.0 112.037 -178.028 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 14.5 m -79.01 -34.06 44.37 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.154 0.502 . . . . 0.0 111.002 -178.087 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.412 HG23 ' O ' ' A' ' 53' ' ' ALA . 76.5 t -86.57 -40.66 14.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.894 -173.631 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.517 HG12 HD22 ' A' ' 83' ' ' LEU . 76.5 mt -56.98 -44.13 82.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.344 176.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 11.8 t -64.43 -35.24 80.27 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.252 -176.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -68.38 -47.19 68.0 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.999 179.752 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.435 HD11 ' OD1' ' A' ' 42' ' ' ASN . 47.5 mt -70.11 -45.02 77.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.346 -179.349 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.512 ' O ' HG23 ' A' ' 66' ' ' VAL . 42.2 t80 -53.87 -53.49 51.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.087 -176.494 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 21.0 t -63.29 -29.43 70.75 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.923 0.392 . . . . 0.0 110.56 -179.048 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -66.64 -43.82 91.16 Favored Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.847 -0.692 . . . . 0.0 111.864 178.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.656 HG12 HG11 ' A' ' 70' ' ' VAL . 29.9 t -71.99 -43.54 67.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-O 120.722 0.296 . . . . 0.0 111.047 -179.71 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.512 HG23 ' O ' ' A' ' 62' ' ' TYR . 94.7 t -57.63 -38.27 63.46 Favored 'Isoleucine or valine' 0 C--O 1.234 0.245 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.299 -178.129 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -66.56 -10.54 46.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.017 -0.538 . . . . 0.0 112.192 -178.406 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 29.2 t -87.54 -9.37 54.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.793 0.33 . . . . 0.0 110.997 -179.635 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 89.56 33.42 9.27 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.522 -0.847 . . . . 0.0 112.085 -179.301 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.656 HG11 HG12 ' A' ' 65' ' ' VAL . 13.5 p -80.99 157.91 4.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 177.695 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 2.0 m -65.42 156.26 32.89 Favored 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 110.433 -0.21 . . . . 0.0 110.433 178.527 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.7 m -54.05 -65.59 0.54 Allowed 'General case' 0 CA--C 1.534 0.329 0 N-CA-C 112.806 0.669 . . . . 0.0 112.806 -172.381 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -73.75 -22.48 59.85 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.321 0.581 . . . . 0.0 109.983 -176.42 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -67.97 -31.93 71.99 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.55 -0.75 . . . . 0.0 109.971 178.661 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.462 ' HB2' HG13 ' A' ' 70' ' ' VAL . . . -61.94 -43.29 99.16 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.837 176.128 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.515 HD23 ' HB3' ' A' ' 118' ' ' TYR . 2.8 tm? -56.76 -50.37 72.49 Favored 'General case' 0 CA--C 1.516 -0.355 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.627 176.681 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.745 ' O ' ' HG ' ' A' ' 81' ' ' LEU . 33.7 mm -59.0 -56.51 16.48 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 115.247 -0.888 . . . . 0.0 111.351 -177.052 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . 0.582 ' HB2' ' HB1' ' A' ' 26' ' ' ALA . 44.2 tt0 -59.09 -46.5 88.13 Favored 'General case' 0 N--CA 1.464 0.265 0 C-N-CA 120.878 -0.329 . . . . 0.0 111.288 -178.713 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -58.57 -38.57 78.16 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.837 -179.156 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.615 ' O ' HD23 ' A' ' 84' ' ' LEU . 3.2 mm? -68.12 -42.26 80.48 Favored 'General case' 0 N--CA 1.448 -0.557 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.656 175.386 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.745 ' HG ' ' O ' ' A' ' 77' ' ' ILE . 77.6 mt -60.43 -45.12 94.78 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.734 0.302 . . . . 0.0 111.309 -179.436 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -62.73 -42.7 99.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.895 0.379 . . . . 0.0 110.382 177.758 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.517 HD22 HG12 ' A' ' 58' ' ' ILE . 41.5 tp -58.82 -44.03 90.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.073 0.463 . . . . 0.0 110.921 176.339 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.615 HD23 ' O ' ' A' ' 80' ' ' LEU . 3.5 mm? -66.39 -5.58 11.35 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.617 -0.72 . . . . 0.0 111.871 -177.648 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.41 ' OG ' HD13 ' B' ' 108' ' ' LEU . 20.0 m -98.37 -30.15 12.74 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.895 0.379 . . . . 0.0 110.553 178.096 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.462 ' HB2' HG13 ' A' ' 39' ' ' VAL . . . -71.75 -48.0 49.85 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.335 0.588 . . . . 0.0 110.762 -176.358 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.48 HD12 ' N ' ' A' ' 88' ' ' VAL . 1.1 pp -74.2 -20.7 60.11 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.405 -0.816 . . . . 0.0 112.753 -172.163 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.509 HG11 HD11 ' B' ' 54' ' ' LEU . 16.4 m -89.86 -22.43 6.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 C-N-CA 120.297 -0.561 . . . . 0.0 110.543 177.215 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 54.7 t60 -70.47 -34.52 72.5 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.266 179.258 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.431 HG22 ' O ' ' A' ' 87' ' ' LEU . 20.3 m -66.18 -27.22 40.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.262 -176.127 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.669 ' HA ' ' HB3' ' A' ' 94' ' ' ALA . 4.1 mm? -62.97 -24.63 67.98 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.971 0.415 . . . . 0.0 110.999 178.787 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 60.2 m -56.9 -34.94 68.41 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.02 179.169 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . 0.656 ' HB2' HG12 ' B' ' 99' ' ' VAL . 19.4 m -108.01 -19.28 13.56 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.629 0.728 . . . . 0.0 110.324 -178.878 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.669 ' HB3' ' HA ' ' A' ' 91' ' ' LEU . . . -76.72 96.33 4.2 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.102 -0.954 . . . . 0.0 111.61 -179.233 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 26.4 t -75.26 89.21 2.55 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.21 -0.663 . . . . 0.0 109.21 174.163 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.734 HD13 ' HB1' ' B' ' 47' ' ' ALA . 20.0 tt -68.55 145.4 13.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.453 -177.458 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -92.73 -109.29 1.84 Allowed Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.889 -0.672 . . . . 0.0 112.157 179.152 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -122.83 117.13 24.92 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.708 0.29 . . . . 0.0 110.286 -179.273 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.569 ' CG1' HD11 ' A' ' 96' ' ' ILE . 5.7 m -97.61 155.47 3.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 120.86 0.362 . . . . 0.0 110.946 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 40.0 m -116.63 148.85 40.59 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.474 -178.371 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 2.5 p -84.91 0.43 51.19 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.317 0.58 . . . . 0.0 111.077 179.289 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 45.9 t -94.01 111.76 25.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.06 -174.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 107.82 1.43 34.34 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.837 -0.697 . . . . 0.0 112.828 176.305 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 47.4 t -57.15 -33.0 41.94 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.106 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 174.721 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -49.37 -42.67 42.82 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.303 -0.862 . . . . 0.0 111.572 177.793 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 25.0 m -72.88 -24.98 60.92 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.02 -177.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 22.3 m -72.12 -35.66 69.2 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 177.631 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.584 ' O ' ' HG3' ' A' ' 112' ' ' GLN . 4.5 mm? -57.93 -31.34 66.73 Favored 'General case' 0 C--O 1.221 -0.437 0 CA-C-N 115.321 -0.854 . . . . 0.0 110.308 174.779 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . 0.477 HD22 ' N ' ' A' ' 109' ' ' ASN . 0.9 OUTLIER -73.36 -26.61 61.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.813 0.339 . . . . 0.0 110.78 -179.086 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 41.4 t -82.63 -37.45 14.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.828 -176.478 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.542 HG12 ' O ' ' A' ' 108' ' ' LEU . 8.5 p -62.93 -25.2 37.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 121.436 0.636 . . . . 0.0 110.511 -179.583 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . 0.584 ' HG3' ' O ' ' A' ' 108' ' ' LEU . 21.8 mt-30 -70.48 -21.16 62.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.977 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -82.8 -34.82 26.89 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.683 -174.63 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 13.4 p -80.44 -47.24 14.64 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.45 -0.796 . . . . 0.0 112.007 -172.119 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.641 HG11 HD22 ' B' ' 81' ' ' LEU . 12.7 p -107.76 -16.05 8.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-O 120.922 0.392 . . . . 0.0 111.507 -171.839 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -61.45 -22.53 61.44 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.854 -0.689 . . . . 0.0 112.663 -178.551 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -92.3 6.84 45.33 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.717 0.294 . . . . 0.0 111.337 -179.165 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . 0.515 ' HB3' HD23 ' A' ' 76' ' ' LEU . 70.2 m-85 -116.08 -32.59 5.32 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-O 120.8 0.333 . . . . 0.0 110.297 175.765 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.404 ' O ' ' HB3' ' B' ' 22' ' ' SER . 35.1 m . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.732 176.331 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 22' ' ' SER . . . . . 0.404 ' HB3' ' O ' ' A' ' 119' ' ' VAL . 34.6 m . . . . . 0 N--CA 1.448 -0.559 0 CA-C-O 120.675 0.274 . . . . 0.0 111.24 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -153.33 129.18 10.19 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 108.503 -0.925 . . . . 0.0 108.503 177.107 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -80.56 -27.03 37.64 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 120.751 0.31 . . . . 0.0 111.485 -178.065 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.15 -28.34 73.43 Favored Glycine 0 CA--C 1.512 -0.136 0 C-N-CA 121.105 -0.569 . . . . 0.0 112.561 -179.4 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 26' ' ' ALA . . . . . 0.424 ' HB1' ' HB2' ' B' ' 78' ' ' GLN . . . -68.77 -17.94 64.12 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.598 0.714 . . . . 0.0 109.749 177.7 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 27' ' ' VAL . . . . . 0.538 HG12 ' HG2' ' A' ' 112' ' ' GLN . 2.5 t -92.68 -38.05 9.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-N 114.859 -1.064 . . . . 0.0 109.693 177.833 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 76.2 m-20 -75.18 -15.58 60.56 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.097 -174.236 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 77.7 ttt180 -82.34 -11.31 58.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.321 0.582 . . . . 0.0 110.222 178.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . 0.562 ' HB3' HD12 ' A' ' 108' ' ' LEU . 97.6 mt -66.66 -26.39 67.03 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.63 -176.383 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 5.2 p -77.14 -0.4 24.77 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.548 -178.238 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 8.5 t -82.58 161.85 22.13 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.816 -0.439 . . . . 0.0 109.816 179.356 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.11 -15.68 63.3 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.811 0.339 . . . . 0.0 110.798 178.601 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -57.89 -66.37 0.49 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.714 179.151 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 35' ' ' ALA . . . . . 0.501 ' O ' HG23 ' B' ' 39' ' ' VAL . . . -55.9 -50.7 69.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.071 179.745 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -56.88 -20.57 23.82 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.332 0.493 . . . . 0.0 112.332 -177.385 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 44.7 t -85.95 -27.45 24.9 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.779 0.323 . . . . 0.0 111.325 178.768 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 38' ' ' ARG . . . . . 0.603 ' NH1' ' HA ' ' B' ' 61' ' ' ILE . 13.4 mtp180 -95.61 -45.1 7.19 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 -176.191 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 39' ' ' VAL . . . . . 0.503 HG13 ' HB2' ' B' ' 86' ' ' ALA . 59.6 t -59.36 -34.87 55.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 114.875 -1.057 . . . . 0.0 110.989 179.752 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 33.1 p -72.75 -11.77 60.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.372 179.167 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 47.0 t -91.62 -17.03 26.16 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.701 0.763 . . . . 0.0 109.445 176.194 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 42' ' ' ASN . . . . . 0.427 ' OD1' HD11 ' B' ' 61' ' ' ILE . 10.6 m120 -92.93 -26.51 17.56 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.174 -0.921 . . . . 0.0 110.058 -174.598 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 43' ' ' ILE . . . . . 0.534 HG13 ' N ' ' B' ' 44' ' ' ALA . 3.9 pt -56.41 -40.42 67.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.478 -0.783 . . . . 0.0 111.604 -177.736 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 44' ' ' ALA . . . . . 0.534 ' N ' HG13 ' B' ' 43' ' ' ILE . . . -79.39 -12.49 59.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.982 0.42 . . . . 0.0 111.159 -176.217 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -90.38 -51.27 5.51 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.234 0.54 . . . . 0.0 110.495 -178.047 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 46' ' ' ILE . . . . . 0.467 HG21 ' HB3' ' B' ' 87' ' ' LEU . 47.7 mt -68.22 -32.49 56.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.725 -178.215 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . 0.734 ' HB1' HD13 ' A' ' 96' ' ' ILE . . . -64.43 -19.69 65.69 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.303 179.58 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 33.7 t -100.45 -47.21 4.97 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.825 -178.095 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -84.22 -24.77 46.57 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.814 -0.708 . . . . 0.0 113.3 -176.451 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 75.83 -74.85 1.54 Allowed Glycine 0 N--CA 1.45 -0.378 0 N-CA-C 111.554 -0.618 . . . . 0.0 111.554 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -122.23 -23.05 5.4 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.09 0.471 . . . . 0.0 110.426 179.16 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 15.2 m -72.52 -10.34 59.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.947 -178.103 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -91.81 -17.01 25.97 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.649 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 54' ' ' LEU . . . . . 0.509 HD11 HG11 ' A' ' 88' ' ' VAL . 50.8 mt -55.67 -58.51 15.31 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 115.904 -0.589 . . . . 0.0 112.282 -176.152 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 55' ' ' PRO . . . . . 0.423 ' HD2' ' N ' ' B' ' 54' ' ' LEU . 18.2 Cg_endo -60.72 -21.57 70.13 Favored 'Trans proline' 0 C--N 1.353 0.767 0 C-N-CA 122.242 1.961 . . . . 0.0 112.436 -176.489 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 14.8 m -89.04 -44.58 10.27 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.049 0.452 . . . . 0.0 110.905 -179.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 78.8 t -74.89 -37.45 41.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.406 -173.55 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 58' ' ' ILE . . . . . 0.577 HG12 HD22 ' B' ' 83' ' ' LEU . 46.7 mt -57.09 -44.1 82.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.241 175.783 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 5.1 t -68.92 -38.58 79.64 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.988 -177.13 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -60.83 -48.68 80.72 Favored 'General case' 0 CA--C 1.52 -0.21 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.703 178.78 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . 0.603 ' HA ' ' NH1' ' B' ' 38' ' ' ARG . 41.4 mt -69.24 -45.37 79.47 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.957 179.107 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 62' ' ' TYR . . . . . 0.491 ' O ' HG23 ' B' ' 66' ' ' VAL . 48.5 t80 -55.41 -55.64 29.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.081 -177.709 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 33.6 t -60.68 -31.66 70.91 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-O 121.093 0.473 . . . . 0.0 110.312 -179.484 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . 0.48 ' HA3' ' NH1' ' B' ' 38' ' ' ARG . . . -65.75 -45.14 90.45 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.839 -0.696 . . . . 0.0 111.936 178.283 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 65' ' ' VAL . . . . . 0.707 HG12 HG11 ' B' ' 70' ' ' VAL . 41.4 t -70.81 -44.14 76.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.76 0.314 . . . . 0.0 110.836 -179.303 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 66' ' ' VAL . . . . . 0.491 HG23 ' O ' ' B' ' 62' ' ' TYR . 93.0 t -57.22 -37.05 54.14 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.328 0 CA-C-O 120.901 0.381 . . . . 0.0 110.961 -179.761 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.07 -7.24 11.25 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 115.941 -0.572 . . . . 0.0 112.238 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 44.6 t -93.17 -2.55 55.17 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.555 0.217 . . . . 0.0 111.513 -178.635 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 83.82 26.99 39.58 Favored Glycine 0 N--CA 1.453 -0.174 0 C-N-CA 120.415 -0.898 . . . . 0.0 111.902 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . 0.707 HG11 HG12 ' B' ' 65' ' ' VAL . 13.8 p -78.58 158.74 4.8 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-N 115.372 -0.414 . . . . 0.0 109.905 179.139 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 1.5 m -68.04 152.55 45.34 Favored 'General case' 0 N--CA 1.448 -0.526 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 178.174 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 24.9 m -49.54 -68.07 0.21 Allowed 'General case' 0 N--CA 1.468 0.469 0 N-CA-C 113.649 0.981 . . . . 0.0 113.649 -171.287 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 47.9 t30 -81.37 -11.69 59.21 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.118 -0.633 . . . . 0.0 110.495 -175.394 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -69.02 -33.42 73.6 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.733 -0.84 . . . . 0.0 108.733 173.023 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . 0.491 ' HB2' HG13 ' B' ' 70' ' ' VAL . . . -62.54 -42.12 99.32 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 114.851 -1.068 . . . . 0.0 110.237 173.886 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 76' ' ' LEU . . . . . 0.533 HD23 ' HB3' ' B' ' 118' ' ' TYR . 2.8 tm? -53.93 -54.67 35.55 Favored 'General case' 0 CA--C 1.518 -0.277 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.567 177.656 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 77' ' ' ILE . . . . . 0.701 ' O ' ' HG ' ' B' ' 81' ' ' LEU . 37.2 mm -59.33 -55.71 21.86 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 115.336 -0.847 . . . . 0.0 111.563 -177.292 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 78' ' ' GLN . . . . . 0.424 ' HB2' ' HB1' ' B' ' 26' ' ' ALA . 48.6 tt0 -57.89 -48.78 78.84 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 120.826 -0.35 . . . . 0.0 110.931 -178.22 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.2 -38.89 84.67 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.809 -178.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 80' ' ' LEU . . . . . 0.613 ' O ' HD23 ' B' ' 84' ' ' LEU . 2.8 mm? -65.41 -41.75 93.3 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.769 175.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . 0.701 ' HG ' ' O ' ' B' ' 77' ' ' ILE . 37.6 mt -68.73 -39.21 80.5 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.601 0.238 . . . . 0.0 111.15 -177.797 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -59.55 -45.6 91.32 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 173.12 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 83' ' ' LEU . . . . . 0.577 HD22 HG12 ' B' ' 58' ' ' ILE . 35.2 tp -58.17 -46.58 85.48 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.398 176.374 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 84' ' ' LEU . . . . . 0.613 HD23 ' O ' ' B' ' 80' ' ' LEU . 3.6 mm? -65.85 -3.73 5.57 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.979 -176.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 85' ' ' SER . . . . . 0.443 ' OG ' HD13 ' A' ' 108' ' ' LEU . 22.8 m -101.73 -27.27 13.14 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.903 0.382 . . . . 0.0 110.57 177.744 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 86' ' ' ALA . . . . . 0.503 ' HB2' HG13 ' B' ' 39' ' ' VAL . . . -72.16 -45.86 58.74 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-O 121.501 0.667 . . . . 0.0 110.587 -177.221 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 87' ' ' LEU . . . . . 0.509 HD12 HG13 ' B' ' 88' ' ' VAL . 1.0 OUTLIER -80.16 -14.02 58.79 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.152 -0.931 . . . . 0.0 112.663 -172.043 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 88' ' ' VAL . . . . . 0.509 HG13 HD12 ' B' ' 87' ' ' LEU . 20.6 m -96.26 -23.57 4.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 C-N-CA 120.459 -0.496 . . . . 0.0 110.882 177.128 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 89' ' ' HIS . . . . . . . . . . . . . 50.6 t60 -68.54 -35.38 77.36 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.86 -0.422 . . . . 0.0 109.86 177.571 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 90' ' ' VAL . . . . . . . . . . . . . 32.9 m -64.6 -26.16 39.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.436 -176.038 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 91' ' ' LEU . . . . . 0.622 ' HA ' ' HB3' ' B' ' 94' ' ' ALA . 3.5 mm? -65.84 -22.85 66.57 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.565 -0.289 . . . . 0.0 111.182 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 33.1 t -61.94 -28.05 69.26 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-O 121.085 0.469 . . . . 0.0 110.666 179.184 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 93' ' ' SER . . . . . 0.516 ' HB2' HG12 ' A' ' 99' ' ' VAL . 25.7 m -121.87 13.48 10.66 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-O 121.246 0.546 . . . . 0.0 110.557 -179.811 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 94' ' ' ALA . . . . . 0.622 ' HB3' ' HA ' ' B' ' 91' ' ' LEU . . . -107.73 97.53 7.24 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-N 115.784 -0.643 . . . . 0.0 110.423 179.209 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 22.8 t -73.46 90.05 1.69 Allowed 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 178.302 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 96' ' ' ILE . . . . . 0.698 HD13 ' HB1' ' A' ' 47' ' ' ALA . 20.9 tt -74.1 141.94 15.46 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.679 179.644 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 97' ' ' GLY . . . . . . . . . . . . . . . -88.85 -116.02 1.4 Allowed Glycine 0 N--CA 1.447 -0.569 0 C-N-CA 120.589 -0.815 . . . . 0.0 112.082 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 98' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -119.92 98.54 6.14 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 120.991 0.424 . . . . 0.0 109.894 -178.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 99' ' ' VAL . . . . . 0.656 HG12 ' HB2' ' A' ' 93' ' ' SER . 13.7 m -76.2 164.43 3.55 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.487 177.442 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 100' ' ' SER . . . . . 0.408 ' C ' ' H ' ' B' ' 102' ' ' VAL . 28.7 m -138.39 149.48 45.58 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.177 -178.567 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 101' ' ' SER . . . . . 0.505 ' HB3' ' HB2' ' A' ' 40' ' ' SER . 41.0 m -76.25 29.12 0.12 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.371 -177.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 102' ' ' VAL . . . . . 0.408 ' H ' ' C ' ' B' ' 100' ' ' SER . 60.3 t -108.28 108.98 26.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.75 -175.852 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . 107.49 -0.89 34.61 Favored Glycine 0 N--CA 1.446 -0.695 0 C-N-CA 120.55 -0.833 . . . . 0.0 112.852 176.022 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 104' ' ' VAL . . . . . 0.401 ' O ' HD23 ' B' ' 108' ' ' LEU . 21.5 t -60.21 -36.64 69.56 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.231 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 178.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -50.77 -38.44 48.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.446 -0.797 . . . . 0.0 111.074 179.655 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 14.6 m -75.0 -29.98 61.02 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.034 -178.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 13.1 m -67.42 -34.78 77.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.187 0.518 . . . . 0.0 109.889 -179.452 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 108' ' ' LEU . . . . . 0.553 HD12 ' HB3' ' A' ' 30' ' ' LEU . 4.6 mm? -58.82 -28.14 65.75 Favored 'General case' 0 C--O 1.223 -0.341 0 CA-C-N 115.301 -0.863 . . . . 0.0 110.944 176.659 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 109' ' ' ASN . . . . . 0.494 ' N ' HD22 ' B' ' 109' ' ' ASN . 0.8 OUTLIER -74.66 -24.53 58.83 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.031 0.443 . . . . 0.0 110.448 -178.069 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 110' ' ' VAL . . . . . . . . . . . . . 40.5 t -84.81 -40.78 15.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.987 -176.307 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 111' ' ' VAL . . . . . 0.478 HG12 ' O ' ' B' ' 108' ' ' LEU . 10.8 p -59.8 -28.11 39.84 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.367 0 CA-C-O 121.35 0.595 . . . . 0.0 110.932 -178.029 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 112' ' ' GLN . . . . . 0.446 ' HG3' ' O ' ' B' ' 108' ' ' LEU . 26.0 mt-30 -69.99 -23.97 63.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.056 -178.226 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 113' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -87.35 -25.58 23.8 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.738 -170.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 114' ' ' SER . . . . . 0.478 ' HB2' HD12 ' B' ' 58' ' ' ILE . 13.5 p -87.98 -43.56 11.66 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.857 -0.611 . . . . 0.0 112.186 -173.784 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 115' ' ' VAL . . . . . . . . . . . . . 13.1 p -108.63 -17.8 7.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-O 120.84 0.352 . . . . 0.0 111.385 -174.261 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 116' ' ' GLY . . . . . . . . . . . . . . . -61.8 -19.46 58.56 Favored Glycine 0 C--O 1.228 -0.276 0 C-N-CA 120.903 -0.665 . . . . 0.0 112.75 -178.576 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -97.53 12.13 34.49 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.747 0.308 . . . . 0.0 111.057 179.859 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 118' ' ' TYR . . . . . 0.533 ' HB3' HD23 ' B' ' 76' ' ' LEU . 64.4 m-85 -121.64 -26.66 4.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.97 0.414 . . . . 0.0 110.489 176.004 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 119' ' ' VAL . . . . . 0.507 ' O ' ' HB3' ' A' ' 22' ' ' SER . 29.8 m -84.34 -2.49 7.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.863 174.591 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.017 0 CA-C-O 118.123 -1.376 . . . . 0.0 110.52 177.1 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.451 ' HB3' ' O ' ' B' ' 119' ' ' VAL . 27.0 m . . . . . 0 C--O 1.235 0.333 0 CA-C-O 120.684 0.278 . . . . 0.0 111.518 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -152.43 127.04 9.42 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.116 179.599 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -86.04 -26.29 25.43 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 120.844 0.354 . . . . 0.0 110.911 176.528 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.67 -28.04 67.3 Favored Glycine 0 C--N 1.332 0.319 0 C-N-CA 120.864 -0.684 . . . . 0.0 112.534 -179.582 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.442 ' HB1' ' HB2' ' A' ' 78' ' ' GLN . . . -80.25 8.42 7.43 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.126 0.489 . . . . 0.0 111.107 179.391 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.501 HG22 ' CD1' ' A' ' 81' ' ' LEU . 3.4 t -116.7 -44.17 3.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.871 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 27.1 m-80 -64.9 -23.78 67.33 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-O 120.942 0.401 . . . . 0.0 111.37 -175.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 15.5 ptm180 -86.43 5.44 35.09 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.426 -177.53 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.4 HD11 ' HB3' ' A' ' 81' ' ' LEU . 96.1 mt -75.07 -25.44 58.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.818 0.342 . . . . 0.0 110.692 178.815 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 14.6 p -78.83 -1.2 33.79 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.191 0.52 . . . . 0.0 110.81 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 35.0 t -87.89 170.55 11.06 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.656 177.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.34 -15.38 62.5 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.827 -179.428 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -53.08 -66.0 0.46 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.7 179.529 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.513 ' O ' HG23 ' A' ' 39' ' ' VAL . . . -67.69 -47.15 70.25 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.099 -178.771 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -55.82 -26.13 44.98 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.885 -175.442 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 23.0 t -86.22 -20.01 29.15 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 111.988 0.366 . . . . 0.0 111.988 179.633 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.485 ' HD2' ' OE1' ' A' ' 82' ' ' GLU . 68.6 mtt180 -98.02 -46.8 5.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.735 0.779 . . . . 0.0 109.504 -178.137 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.516 HG21 HD21 ' B' ' 108' ' ' LEU . 59.9 t -59.28 -43.87 90.88 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-N 114.383 -1.28 . . . . 0.0 111.324 -178.454 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.472 ' O ' HG12 ' A' ' 43' ' ' ILE . 77.7 p -69.63 -18.49 63.6 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.335 -176.598 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 41.7 t -84.41 -8.78 58.86 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.956 0.408 . . . . 0.0 110.545 -179.039 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 44.0 m-80 -122.54 -1.79 9.01 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.275 -174.488 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.515 HG13 ' N ' ' A' ' 44' ' ' ALA . 5.2 pt -62.19 -40.54 88.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.943 0.401 . . . . 0.0 110.67 177.868 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.515 ' N ' HG13 ' A' ' 43' ' ' ILE . . . -80.28 -6.65 58.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.202 0.525 . . . . 0.0 110.724 -177.636 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -86.97 -51.76 5.84 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.079 178.2 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.446 HG21 ' HB3' ' A' ' 87' ' ' LEU . 48.7 mt -65.33 -34.69 72.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.465 179.359 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.666 ' HB1' HD13 ' B' ' 96' ' ' ILE . . . -63.53 -16.43 60.72 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.261 178.645 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 35.5 t -108.21 -2.64 19.19 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.258 -176.376 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -132.86 -27.37 0.59 Allowed Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.017 -1.087 . . . . 0.0 113.799 -176.438 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 73.3 -78.09 0.84 Allowed Glycine 0 N--CA 1.447 -0.588 0 N-CA-C 111.447 -0.661 . . . . 0.0 111.447 -178.248 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -119.77 -21.07 7.38 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-O 120.993 0.425 . . . . 0.0 110.34 178.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 17.9 m -74.28 -10.04 59.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.547 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.412 ' HB3' ' HA ' ' A' ' 46' ' ' ILE . . . -95.42 -14.95 23.36 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.947 179.654 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.423 HD11 HG11 ' B' ' 88' ' ' VAL . 53.1 mt -56.21 -58.61 15.5 Favored Pre-proline 0 C--N 1.326 -0.439 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.888 -176.435 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.4 ' HD3' ' HB2' ' A' ' 54' ' ' LEU . 28.0 Cg_endo -63.81 -21.88 69.3 Favored 'Trans proline' 0 C--N 1.35 0.627 0 C-N-CA 121.84 1.693 . . . . 0.0 112.39 -177.532 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 15.4 m -82.34 -41.61 19.81 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 120.896 0.379 . . . . 0.0 110.449 179.02 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 78.2 t -83.56 -40.1 15.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.134 -173.664 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.557 HG12 ' HG ' ' A' ' 83' ' ' LEU . 49.7 mt -58.71 -43.8 88.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-O 121.021 0.439 . . . . 0.0 110.406 177.77 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 58.1 m -69.03 -28.33 66.46 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.751 -179.613 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 92.4 m-20 -64.36 -59.25 4.6 Favored 'General case' 0 CA--C 1.517 -0.315 0 CA-C-O 121.396 0.617 . . . . 0.0 110.453 174.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.486 ' O ' HG23 ' A' ' 65' ' ' VAL . 48.1 mt -65.46 -43.63 94.46 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 115.262 -0.881 . . . . 0.0 111.261 -175.709 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.439 ' O ' HG23 ' A' ' 66' ' ' VAL . 55.5 t80 -55.75 -52.33 64.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.51 -0.314 . . . . 0.0 110.523 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 18.4 t -62.96 -30.24 71.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.228 -179.697 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -65.81 -43.69 93.52 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 121.051 -0.595 . . . . 0.0 112.126 178.77 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.724 HG12 HG11 ' A' ' 70' ' ' VAL . 20.6 t -74.94 -42.32 46.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 120.723 0.297 . . . . 0.0 110.934 -179.248 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.508 ' HA ' HG12 ' A' ' 70' ' ' VAL . 75.1 t -58.7 -37.86 68.29 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.258 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.923 -179.457 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.8 -14.84 56.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.699 179.514 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 9.3 t -88.44 -3.45 58.82 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.608 -0.269 . . . . 0.0 110.955 -178.706 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 88.18 31.54 14.1 Favored Glycine 0 C--N 1.33 0.223 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.711 177.716 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.724 HG11 HG12 ' A' ' 65' ' ' VAL . 8.9 p -87.38 161.65 2.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 N-CA-C 110.231 -0.285 . . . . 0.0 110.231 178.412 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 44.5 t -70.29 156.36 39.38 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 110.399 -0.223 . . . . 0.0 110.399 176.24 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 12.5 m -60.1 -58.78 7.07 Favored 'General case' 0 CA--C 1.533 0.303 0 N-CA-C 112.149 0.426 . . . . 0.0 112.149 -174.743 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -70.25 -30.03 66.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.97 0.414 . . . . 0.0 110.003 -176.345 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -68.58 -35.74 77.78 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.111 -0.495 . . . . 0.0 109.988 177.476 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.538 ' HB2' HG13 ' A' ' 70' ' ' VAL . . . -62.95 -41.67 99.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.477 175.437 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.458 HD23 ' HB3' ' A' ' 118' ' ' TYR . 3.0 tm? -56.69 -46.11 81.36 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.909 178.345 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.672 ' O ' ' HG ' ' A' ' 81' ' ' LEU . 44.4 mm -65.16 -57.14 12.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.672 179.78 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . 0.466 ' HG2' HG11 ' A' ' 65' ' ' VAL . 37.4 tp60 -51.81 -51.59 55.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.078 179.064 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.32 -38.6 91.61 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.514 -176.722 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.451 ' O ' HD23 ' A' ' 84' ' ' LEU . 7.7 mt -70.02 -39.86 75.56 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.658 -0.417 . . . . 0.0 111.175 179.814 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.707 HD22 HG11 ' B' ' 115' ' ' VAL . 15.5 mt -65.16 -37.77 88.43 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 120.986 0.422 . . . . 0.0 109.917 179.672 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.485 ' OE1' ' HD2' ' A' ' 38' ' ' ARG . 45.4 mt-10 -64.21 -41.94 96.83 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.346 171.349 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.557 ' HG ' HG12 ' A' ' 58' ' ' ILE . 3.5 tm? -62.44 -45.54 92.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.319 -179.173 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.451 HD23 ' O ' ' A' ' 80' ' ' LEU . 4.6 mm? -72.61 -2.53 20.33 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.645 -177.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 57.8 m -94.9 -35.29 12.09 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.982 0.42 . . . . 0.0 110.381 176.597 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.443 ' HB2' HG13 ' A' ' 39' ' ' VAL . . . -64.43 -45.17 88.67 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.849 -176.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.469 HD12 HG13 ' A' ' 88' ' ' VAL . 1.2 pp -80.23 -17.78 51.32 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 113.073 0.768 . . . . 0.0 113.073 -171.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.469 HG13 HD12 ' A' ' 87' ' ' LEU . 17.5 m -92.83 -22.07 5.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 C-N-CA 120.248 -0.581 . . . . 0.0 110.791 176.677 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 81.9 t60 -68.2 -37.48 80.93 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.036 176.335 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.521 ' HB ' ' CD1' ' B' ' 96' ' ' ILE . 25.6 m -64.56 -26.88 41.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.614 -174.41 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.641 ' HA ' ' HB3' ' A' ' 94' ' ' ALA . 3.5 mm? -64.75 -19.7 65.94 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.097 179.437 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 23.1 t -60.78 -27.1 67.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.089 179.583 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 10.0 t -127.12 10.3 6.88 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.257 0.551 . . . . 0.0 110.237 179.406 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.641 ' HB3' ' HA ' ' A' ' 91' ' ' LEU . . . -101.09 98.02 8.51 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.235 179.63 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 8.1 t -77.5 88.25 3.84 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.216 0.531 . . . . 0.0 109.847 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.718 HD13 ' HB1' ' B' ' 47' ' ' ALA . 18.5 tt -65.97 149.64 11.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.744 -177.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -97.24 -118.16 3.66 Favored Glycine 0 N--CA 1.446 -0.638 0 C-N-CA 120.968 -0.634 . . . . 0.0 111.808 176.103 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -104.0 129.4 51.6 Favored 'General case' 0 C--N 1.321 -0.635 0 O-C-N 122.764 -0.257 . . . . 0.0 110.494 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.434 ' CG1' HD11 ' A' ' 96' ' ' ILE . 2.4 m -125.36 121.95 61.65 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-O 120.947 0.403 . . . . 0.0 110.754 175.137 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 49.8 m -103.3 166.59 10.34 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.858 -179.046 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . 0.404 ' CB ' ' HB2' ' B' ' 40' ' ' SER . 5.7 p -77.47 -11.64 59.87 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.957 -0.565 . . . . 0.0 112.075 -175.75 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 3.5 p -75.65 101.96 2.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-O 121.468 0.651 . . . . 0.0 111.363 -175.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 128.21 -14.85 6.19 Favored Glycine 0 N--CA 1.449 -0.451 0 CA-C-N 115.638 -0.71 . . . . 0.0 113.043 176.022 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.444 ' O ' HD12 ' A' ' 108' ' ' LEU . 23.3 t -58.31 -34.46 50.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.958 0.409 . . . . 0.0 110.018 177.635 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -56.05 -41.59 75.27 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.224 -0.898 . . . . 0.0 110.16 178.58 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 35.1 m -77.03 -39.05 51.57 Favored 'General case' 0 CA--C 1.529 0.138 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.632 -179.417 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 29.2 m -58.07 -35.82 71.92 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 121.237 0.542 . . . . 0.0 110.653 179.573 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.536 ' O ' HG12 ' A' ' 111' ' ' VAL . 1.6 mt -61.18 -24.58 66.42 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.451 -0.795 . . . . 0.0 111.916 178.32 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . 0.49 HD22 ' N ' ' A' ' 109' ' ' ASN . 0.8 OUTLIER -72.07 -26.71 62.27 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.985 0.421 . . . . 0.0 110.373 179.275 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 23.0 t -84.79 -37.36 12.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.065 -176.094 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.536 HG12 ' O ' ' A' ' 108' ' ' LEU . 7.3 p -59.93 -29.2 42.78 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.237 0 CA-C-O 121.369 0.604 . . . . 0.0 110.399 -179.718 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . 0.487 ' HG3' ' O ' ' A' ' 108' ' ' LEU . 24.9 mt-30 -66.1 -21.7 66.37 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.413 -0.812 . . . . 0.0 111.056 -179.346 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -82.49 -37.48 25.25 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.58 -176.065 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 5.3 m -79.7 -41.88 25.85 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.29 -0.868 . . . . 0.0 111.887 -170.708 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.421 HG12 ' O ' ' A' ' 111' ' ' VAL . 8.2 p -110.98 -19.99 6.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-O 120.935 0.398 . . . . 0.0 111.647 -174.039 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -64.24 -16.39 60.13 Favored Glycine 0 CA--C 1.517 0.205 0 C-N-CA 121.223 -0.513 . . . . 0.0 113.12 -177.102 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.46 2.31 54.4 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.597 0.237 . . . . 0.0 111.161 179.493 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . 0.458 ' HB3' HD23 ' A' ' 76' ' ' LEU . 74.2 m-85 -111.15 -29.67 7.77 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.997 0.427 . . . . 0.0 110.614 177.004 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.414 HG21 HG21 ' B' ' 27' ' ' VAL . 32.0 m . . . . . 0 C--N 1.326 -0.42 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.696 177.183 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 37.5 m . . . . . 0 N--CA 1.447 -0.608 0 CA-C-O 120.678 0.275 . . . . 0.0 110.81 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 23' ' ' TYR . . . . . 0.471 ' CE1' ' HA ' ' B' ' 74' ' ' GLU . 1.1 m-85 -151.7 119.24 6.05 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-N 116.233 -0.44 . . . . 0.0 109.906 179.609 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.48 -30.16 53.0 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-O 121.177 0.513 . . . . 0.0 110.824 177.639 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.32 -28.52 67.2 Favored Glycine 0 CA--C 1.518 0.23 0 CA-C-N 116.045 -0.525 . . . . 0.0 112.959 -177.241 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 26' ' ' ALA . . . . . 0.512 ' HB1' ' HB2' ' B' ' 78' ' ' GLN . . . -72.33 -19.82 61.58 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.217 0.532 . . . . 0.0 110.381 179.501 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 27' ' ' VAL . . . . . 0.459 HG22 HD11 ' B' ' 81' ' ' LEU . 3.1 t -89.56 -39.1 12.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.368 -178.013 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 57.2 m-80 -67.86 -17.61 64.55 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.031 0.382 . . . . 0.0 112.031 -175.502 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 12.8 ptm180 -96.06 11.16 35.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.682 0.277 . . . . 0.0 111.246 -177.517 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . 0.533 HD11 ' HB3' ' B' ' 81' ' ' LEU . 86.8 mt -81.17 -23.65 38.09 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.065 0.46 . . . . 0.0 110.658 -179.805 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 8.5 p -75.39 -3.15 32.02 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.499 0.666 . . . . 0.0 110.265 177.204 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 48.3 t -84.94 154.19 22.35 Favored 'General case' 0 N--CA 1.447 -0.624 0 CA-C-N 115.16 -0.927 . . . . 0.0 110.002 178.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.94 -22.36 62.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.148 -179.292 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -49.52 -58.27 5.51 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.286 -0.87 . . . . 0.0 110.944 178.691 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 35' ' ' ALA . . . . . 0.685 ' O ' HG23 ' B' ' 39' ' ' VAL . . . -63.3 -54.02 43.62 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.276 -0.875 . . . . 0.0 110.666 179.279 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.11 -34.05 20.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.07 -0.514 . . . . 0.0 112.344 -174.59 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 20.1 m -74.86 -20.9 59.54 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 111.852 0.316 . . . . 0.0 111.852 -177.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 38' ' ' ARG . . . . . 0.483 ' HD2' ' OE1' ' B' ' 82' ' ' GLU . 59.3 mtt180 -97.65 -44.66 6.68 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.768 0.794 . . . . 0.0 109.419 -179.087 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 39' ' ' VAL . . . . . 0.685 HG23 ' O ' ' B' ' 35' ' ' ALA . 21.4 t -62.45 -44.19 99.03 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.827 0 CA-C-N 114.349 -1.296 . . . . 0.0 111.12 -175.787 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 40' ' ' SER . . . . . 0.46 ' O ' HG12 ' B' ' 43' ' ' ILE . 78.2 p -68.93 -19.59 64.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.312 0.577 . . . . 0.0 110.868 -179.884 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 43.4 t -79.4 -10.07 59.73 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.44 -179.258 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 43.3 m-80 -124.29 -2.44 8.06 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.643 -175.202 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 43' ' ' ILE . . . . . 0.521 HG13 ' N ' ' B' ' 44' ' ' ALA . 4.6 pt -61.77 -41.54 90.98 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-O 120.787 0.327 . . . . 0.0 110.662 177.856 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 44' ' ' ALA . . . . . 0.521 ' N ' HG13 ' B' ' 43' ' ' ILE . . . -78.54 -11.14 59.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.022 0.439 . . . . 0.0 110.939 -177.119 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -84.28 -52.77 5.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.056 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 46' ' ' ILE . . . . . 0.422 HG21 ' HB3' ' B' ' 87' ' ' LEU . 45.0 mt -64.64 -35.2 74.11 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.344 179.413 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . 0.718 ' HB1' HD13 ' A' ' 96' ' ' ILE . . . -64.84 -20.17 66.26 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.575 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 22.7 t -97.17 -27.95 14.32 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.451 -174.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -115.15 -17.63 6.66 Favored Glycine 0 C--N 1.331 0.285 0 C-N-CA 120.454 -0.879 . . . . 0.0 113.521 -175.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 75.57 -80.08 1.05 Allowed Glycine 0 N--CA 1.448 -0.524 0 N-CA-C 111.613 -0.595 . . . . 0.0 111.613 179.655 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -118.7 -15.06 9.52 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-N 115.096 -0.552 . . . . 0.0 110.21 178.424 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 27.2 t -71.88 -17.15 62.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.833 -0.621 . . . . 0.0 109.901 -179.549 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -94.49 -13.36 26.22 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.341 -178.108 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 54' ' ' LEU . . . . . 0.463 ' N ' ' HD2' ' B' ' 55' ' ' PRO . 32.1 mt -54.08 -57.69 16.91 Favored Pre-proline 0 CA--C 1.534 0.352 0 N-CA-C 112.014 0.376 . . . . 0.0 112.014 -176.03 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 55' ' ' PRO . . . . . 0.463 ' HD2' ' N ' ' B' ' 54' ' ' LEU . 18.5 Cg_endo -58.91 -26.11 79.69 Favored 'Trans proline' 0 C--N 1.355 0.87 0 C-N-CA 122.407 2.071 . . . . 0.0 112.385 -177.661 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 50.6 m -86.56 -42.83 13.18 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.986 -178.685 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 57.3 t -74.11 -39.61 50.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.383 -173.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 58' ' ' ILE . . . . . 0.444 HG12 ' HG ' ' B' ' 83' ' ' LEU . 50.1 mt -61.04 -39.43 82.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.063 176.111 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 31.0 t -68.87 -33.17 73.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.942 0.401 . . . . 0.0 110.185 179.551 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 95.8 m-20 -64.41 -54.0 39.69 Favored 'General case' 0 CA--C 1.519 -0.249 0 CA-C-O 121.277 0.56 . . . . 0.0 110.53 178.225 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . 0.488 ' O ' HG23 ' B' ' 65' ' ' VAL . 58.9 mt -70.28 -45.48 75.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-N 115.434 -0.803 . . . . 0.0 111.452 -176.164 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 62' ' ' TYR . . . . . 0.54 ' O ' HG23 ' B' ' 66' ' ' VAL . 46.0 t80 -54.65 -55.28 31.25 Favored 'General case' 0 C--N 1.331 -0.198 0 O-C-N 123.171 0.294 . . . . 0.0 110.874 -178.129 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 22.1 t -61.3 -32.6 72.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.914 0.388 . . . . 0.0 110.307 -178.622 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -66.66 -41.07 94.1 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.812 -0.709 . . . . 0.0 111.803 179.44 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 65' ' ' VAL . . . . . 0.656 HG12 HG11 ' B' ' 70' ' ' VAL . 48.7 t -69.91 -41.87 79.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 120.798 0.332 . . . . 0.0 110.454 177.604 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 66' ' ' VAL . . . . . 0.54 HG23 ' O ' ' B' ' 62' ' ' TYR . 87.3 t -60.37 -40.07 82.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.859 179.71 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -72.86 -5.81 40.78 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.729 -179.735 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 21.0 t -86.42 -15.73 39.4 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.535 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 98.36 33.41 5.68 Favored Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.609 -0.805 . . . . 0.0 112.268 -179.417 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . 0.656 HG11 HG12 ' B' ' 65' ' ' VAL . 12.3 p -86.89 160.94 2.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 N-CA-C 110.195 -0.298 . . . . 0.0 110.195 178.364 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 22.8 t -66.06 147.9 52.63 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 173.739 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 9.9 m -52.17 -60.16 3.53 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 113.267 0.839 . . . . 0.0 113.267 -171.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -82.14 -13.5 57.12 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.441 -0.503 . . . . 0.0 110.657 -174.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 74' ' ' GLU . . . . . 0.471 ' HA ' ' CE1' ' B' ' 23' ' ' TYR . 36.1 tt0 -74.35 -29.95 61.8 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 175.716 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -57.75 -36.72 72.47 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 115.089 -0.96 . . . . 0.0 110.819 177.199 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 76' ' ' LEU . . . . . 0.517 HD23 ' HB3' ' B' ' 118' ' ' TYR . 3.0 tm? -57.07 -51.74 68.08 Favored 'General case' 0 CA--C 1.518 -0.251 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.145 178.557 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 77' ' ' ILE . . . . . 0.713 ' O ' ' HG ' ' B' ' 81' ' ' LEU . 33.9 mm -62.6 -54.2 37.13 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-N 115.899 -0.592 . . . . 0.0 111.149 -177.064 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 78' ' ' GLN . . . . . 0.512 ' HB2' ' HB1' ' B' ' 26' ' ' ALA . 19.4 tt0 -57.78 -47.43 82.56 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 121.045 -0.262 . . . . 0.0 111.161 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -59.29 -41.42 88.93 Favored 'General case' 0 CA--C 1.517 -0.319 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.487 179.552 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 80' ' ' LEU . . . . . 0.565 ' O ' HD13 ' B' ' 84' ' ' LEU . 2.1 mm? -62.9 -50.66 69.98 Favored 'General case' 0 N--CA 1.446 -0.632 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.785 176.467 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . 0.713 ' HG ' ' O ' ' B' ' 77' ' ' ILE . 38.7 mt -54.62 -45.3 73.67 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.853 0.359 . . . . 0.0 111.19 -178.701 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 82' ' ' GLU . . . . . 0.483 ' OE1' ' HD2' ' B' ' 38' ' ' ARG . 59.2 mt-10 -66.57 -35.15 79.51 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.736 177.718 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 83' ' ' LEU . . . . . 0.444 ' HG ' HG12 ' B' ' 58' ' ' ILE . 3.4 tm? -64.37 -45.88 85.8 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.133 -0.485 . . . . 0.0 109.963 174.577 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 84' ' ' LEU . . . . . 0.565 HD13 ' O ' ' B' ' 80' ' ' LEU . 10.9 mp -62.09 -14.87 40.77 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.403 -0.817 . . . . 0.0 111.556 -179.733 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 42.6 m -93.53 -33.48 13.75 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.916 0.388 . . . . 0.0 111.399 -175.694 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -68.32 -41.12 81.28 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.207 0.527 . . . . 0.0 111.027 -176.012 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 87' ' ' LEU . . . . . 0.465 HD12 ' N ' ' B' ' 88' ' ' VAL . 1.0 OUTLIER -83.78 -18.0 39.21 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 112.904 0.705 . . . . 0.0 112.904 -172.086 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 88' ' ' VAL . . . . . 0.465 ' N ' HD12 ' B' ' 87' ' ' LEU . 18.5 m -89.76 -21.68 6.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 C-N-CA 120.204 -0.599 . . . . 0.0 110.47 177.034 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 89' ' ' HIS . . . . . . . . . . . . . 71.1 t60 -72.28 -37.16 69.09 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.155 177.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 90' ' ' VAL . . . . . . . . . . . . . 33.2 m -64.14 -27.39 42.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 C-N-CA 120.797 -0.361 . . . . 0.0 111.814 -175.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 91' ' ' LEU . . . . . 0.628 ' HA ' ' HB3' ' B' ' 94' ' ' ALA . 3.0 mm? -66.45 -20.14 65.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.659 0.266 . . . . 0.0 110.949 179.464 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 18.9 t -64.51 -14.89 59.57 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.96 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 22.7 t -142.95 23.14 1.9 Allowed 'General case' 0 C--O 1.236 0.361 0 CA-C-O 121.484 0.659 . . . . 0.0 109.978 176.067 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 94' ' ' ALA . . . . . 0.628 ' HB3' ' HA ' ' B' ' 91' ' ' LEU . . . -106.23 98.52 8.19 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.861 177.068 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 19.8 m -67.92 85.06 0.22 Allowed 'General case' 0 N--CA 1.428 -1.529 0 CA-C-N 115.921 -0.582 . . . . 0.0 111.096 178.533 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 96' ' ' ILE . . . . . 0.666 HD13 ' HB1' ' A' ' 47' ' ' ALA . 19.7 tt -73.71 139.99 18.47 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.492 0 CA-C-O 121.019 0.438 . . . . 0.0 111.051 177.374 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 97' ' ' GLY . . . . . . . . . . . . . . . -97.85 -101.59 2.15 Favored Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.756 -179.241 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 98' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -117.3 109.86 17.36 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.669 0.271 . . . . 0.0 111.096 -176.113 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 99' ' ' VAL . . . . . 0.424 ' CG1' HD11 ' B' ' 96' ' ' ILE . 3.3 m -108.41 149.79 11.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.489 174.537 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 100' ' ' SER . . . . . . . . . . . . . 49.9 m -140.92 168.15 20.47 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.034 -179.326 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 101' ' ' SER . . . . . 0.469 ' CB ' ' HB2' ' A' ' 40' ' ' SER . 10.8 p -70.33 -6.52 35.79 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 112.501 0.556 . . . . 0.0 112.501 -174.825 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 7.3 p -76.65 106.74 6.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 121.706 0.765 . . . . 0.0 111.59 -176.05 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . 116.83 -11.01 15.53 Favored Glycine 0 N--CA 1.449 -0.46 0 CA-C-N 115.471 -0.786 . . . . 0.0 113.627 172.435 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 104' ' ' VAL . . . . . . . . . . . . . 26.1 t -57.75 -34.9 49.03 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.258 0 CA-C-O 120.97 0.414 . . . . 0.0 110.328 178.55 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -53.42 -38.51 63.54 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 114.99 -1.005 . . . . 0.0 110.364 178.408 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 5.8 m -80.57 -37.95 30.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.435 -0.802 . . . . 0.0 111.506 -176.39 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 24.1 m -60.82 -35.34 76.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.195 0.521 . . . . 0.0 110.258 179.295 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 108' ' ' LEU . . . . . 0.516 HD21 HG21 ' A' ' 39' ' ' VAL . 3.1 mt -62.53 -22.67 66.48 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.892 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 109' ' ' ASN . . . . . 0.494 ' N ' HD22 ' B' ' 109' ' ' ASN . 0.8 OUTLIER -70.22 -27.92 64.86 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.034 0.445 . . . . 0.0 110.181 178.55 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 110' ' ' VAL . . . . . . . . . . . . . 18.8 t -84.78 -37.22 12.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.138 -175.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 111' ' ' VAL . . . . . 0.513 ' O ' HG12 ' B' ' 115' ' ' VAL . 7.5 p -62.12 -31.82 52.62 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.359 0 CA-C-O 121.222 0.534 . . . . 0.0 110.27 -178.325 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 112' ' ' GLN . . . . . 0.462 ' HG2' HG12 ' A' ' 27' ' ' VAL . 25.6 mt-30 -66.76 -25.6 66.57 Favored 'General case' 0 CA--C 1.521 -0.155 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.518 179.751 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 113' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -80.4 -32.87 37.42 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.175 -0.921 . . . . 0.0 111.125 -175.151 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 5.8 m -85.04 -37.25 20.57 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.619 -0.719 . . . . 0.0 112.031 -172.236 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 115' ' ' VAL . . . . . 0.707 HG11 HD22 ' A' ' 81' ' ' LEU . 14.8 p -111.93 -20.15 6.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-O 120.761 0.315 . . . . 0.0 111.75 -174.058 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 116' ' ' GLY . . . . . . . . . . . . . . . -61.83 -23.38 63.29 Favored Glycine 0 C--N 1.33 0.227 0 C-N-CA 121.26 -0.495 . . . . 0.0 113.246 -175.734 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.49 1.82 50.13 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.579 0.228 . . . . 0.0 111.43 -178.255 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 118' ' ' TYR . . . . . 0.517 ' HB3' HD23 ' B' ' 76' ' ' LEU . 86.3 m-85 -114.32 -31.51 6.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.74 0.305 . . . . 0.0 111.073 178.409 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 119' ' ' VAL . . . . . 0.485 HG21 HG21 ' A' ' 27' ' ' VAL . 27.2 m -83.31 -2.33 6.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.421 179.48 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.976 0 CA-C-O 118.072 -1.404 . . . . 0.0 110.894 177.869 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.448 ' HB3' ' O ' ' B' ' 119' ' ' VAL . 24.9 m . . . . . 0 CA--C 1.516 -0.36 0 CA-C-O 120.699 0.285 . . . . 0.0 110.621 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.415 ' OH ' ' HB3' ' A' ' 73' ' ' ASN . 0.2 OUTLIER -149.48 131.77 15.55 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.268 -177.728 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -96.76 -17.15 20.47 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.574 179.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.15 -35.24 83.36 Favored Glycine 0 C--N 1.332 0.34 0 C-N-CA 120.865 -0.683 . . . . 0.0 111.981 -177.519 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.7 ' HB1' ' HB2' ' A' ' 78' ' ' GLN . . . -63.67 -24.44 67.79 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.222 -0.489 . . . . 0.0 111.292 177.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.509 HG22 ' CD1' ' A' ' 81' ' ' LEU . 2.6 t -91.4 -42.89 13.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.072 -172.045 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 33.6 m-80 -63.64 -26.42 68.67 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 120.916 0.388 . . . . 0.0 111.001 -175.697 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 12.7 ptm180 -86.58 1.92 50.01 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.782 -175.792 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 93.3 mt -73.19 -24.14 60.5 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.948 0.404 . . . . 0.0 110.996 -179.055 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 17.0 p -80.6 1.01 31.54 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.142 -179.032 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 22.8 m -91.12 169.71 10.62 Favored 'General case' 0 N--CA 1.442 -0.85 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.362 177.42 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.38 -18.35 61.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.796 -179.53 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -53.72 -61.86 2.03 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.946 -178.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.515 ' O ' HG23 ' A' ' 39' ' ' VAL . . . -68.12 -49.34 61.72 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.268 -178.602 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -51.01 -35.48 34.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 112.082 -174.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 21.7 t -78.86 -21.67 47.19 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.919 -177.316 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.449 ' HD2' ' OE1' ' A' ' 82' ' ' GLU . 65.0 mtt180 -95.45 -44.06 7.71 Favored 'General case' 0 CA--C 1.515 -0.392 0 CA-C-O 121.925 0.869 . . . . 0.0 109.42 -177.808 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.515 HG23 ' O ' ' A' ' 35' ' ' ALA . 59.2 t -63.55 -38.19 81.59 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.813 0 CA-C-N 114.16 -1.382 . . . . 0.0 110.927 -177.196 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.494 ' O ' HG12 ' A' ' 43' ' ' ILE . 79.5 p -69.35 -20.08 63.85 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.107 0.48 . . . . 0.0 110.921 179.698 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 39.5 t -85.2 -7.92 58.81 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.639 -177.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 41.3 m-80 -122.69 -1.97 8.91 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.524 -175.335 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.53 HG13 ' N ' ' A' ' 44' ' ' ALA . 5.5 pt -61.77 -42.19 93.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.931 0.396 . . . . 0.0 111.069 177.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.53 ' N ' HG13 ' A' ' 43' ' ' ILE . . . -76.54 -16.41 59.63 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.012 0.434 . . . . 0.0 110.663 -176.091 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -79.66 -52.37 8.05 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.185 -178.752 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.496 HG21 ' HB3' ' A' ' 87' ' ' LEU . 34.6 mt -66.36 -32.87 60.02 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.246 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.221 179.633 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.688 ' HB1' HD13 ' B' ' 96' ' ' ILE . . . -64.29 -25.34 68.01 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.676 179.078 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 33.4 t -91.65 -38.54 12.38 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.033 -178.225 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -92.97 -31.19 8.72 Favored Glycine 0 CA--C 1.518 0.265 0 C-N-CA 120.737 -0.745 . . . . 0.0 113.525 -175.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 79.14 -73.06 2.39 Favored Glycine 0 N--CA 1.449 -0.447 0 N-CA-C 111.417 -0.673 . . . . 0.0 111.417 -177.058 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -122.44 -25.77 4.72 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.955 0.407 . . . . 0.0 110.879 -179.728 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 11.1 p -70.43 -15.9 62.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.186 0.517 . . . . 0.0 110.806 -178.576 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -88.59 -16.02 33.58 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.759 -178.207 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.454 HD11 HG11 ' B' ' 88' ' ' VAL . 48.6 mt -55.28 -57.77 18.55 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.783 -177.53 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.432 ' HD2' ' N ' ' A' ' 54' ' ' LEU . 19.5 Cg_endo -60.79 -23.9 77.67 Favored 'Trans proline' 0 C--N 1.354 0.817 0 C-N-CA 121.991 1.794 . . . . 0.0 112.535 -178.487 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 30.3 m -85.6 -44.09 12.92 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.782 0.325 . . . . 0.0 111.186 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 76.3 t -76.65 -38.31 30.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.723 -172.628 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.498 HG12 ' HG ' ' A' ' 83' ' ' LEU . 59.2 mt -59.17 -39.54 78.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.022 176.368 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 35.4 t -68.97 -36.96 78.48 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.073 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -61.1 -54.22 47.39 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-O 121.257 0.551 . . . . 0.0 110.606 178.176 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.47 ' O ' HG23 ' A' ' 65' ' ' VAL . 60.7 mt -68.16 -45.18 83.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 115.446 -0.797 . . . . 0.0 111.386 -176.749 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.45 ' O ' HG23 ' A' ' 66' ' ' VAL . 54.5 t80 -54.66 -49.22 71.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.792 0.33 . . . . 0.0 110.73 -177.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 19.7 m -60.09 -34.35 73.34 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.813 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -71.35 -41.3 59.12 Favored Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 120.611 -0.804 . . . . 0.0 111.464 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.797 HG12 HG11 ' A' ' 70' ' ' VAL . 61.5 t -65.06 -47.7 86.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-O 120.987 0.422 . . . . 0.0 110.909 178.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.51 ' HA ' HG12 ' A' ' 70' ' ' VAL . 91.0 t -60.84 -40.75 86.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.889 -179.222 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.76 -19.1 65.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.9 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 67.5 m -74.21 -25.16 59.51 Favored 'General case' 0 N--CA 1.444 -0.755 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.752 -179.086 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 106.34 37.08 2.53 Favored Glycine 0 N--CA 1.453 -0.185 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.278 -177.446 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.797 HG11 HG12 ' A' ' 65' ' ' VAL . 11.6 p -89.91 162.4 2.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 N-CA-C 109.908 -0.405 . . . . 0.0 109.908 178.136 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.405 ' N ' HG22 ' A' ' 70' ' ' VAL . 25.7 t -67.42 146.18 54.27 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.568 -0.531 . . . . 0.0 109.568 174.113 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 43.0 m -53.59 -46.35 70.32 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.606 0.595 . . . . 0.0 112.606 -173.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . 0.415 ' HB3' ' OH ' ' A' ' 23' ' ' TYR . 2.0 t30 -85.44 -28.29 25.16 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.254 -0.578 . . . . 0.0 110.768 -175.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.425 ' CG ' ' HB2' ' A' ' 26' ' ' ALA . 43.4 tt0 -68.75 -27.4 65.88 Favored 'General case' 0 C--O 1.234 0.254 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 177.339 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -55.98 -38.82 70.93 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.103 176.513 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.591 HD23 ' HB3' ' A' ' 118' ' ' TYR . 3.0 tm? -57.19 -52.51 65.03 Favored 'General case' 0 CA--C 1.518 -0.277 0 CA-C-O 121.3 0.571 . . . . 0.0 109.525 177.098 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.612 ' O ' ' HG ' ' A' ' 81' ' ' LEU . 36.1 mm -60.67 -54.17 38.91 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-N 115.156 -0.929 . . . . 0.0 111.018 -177.401 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . 0.7 ' HB2' ' HB1' ' A' ' 26' ' ' ALA . 24.9 tt0 -58.24 -46.28 86.24 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.552 -0.295 . . . . 0.0 111.202 -179.558 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.2 -42.16 98.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.795 0.331 . . . . 0.0 110.536 -179.202 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.701 ' O ' ' HG ' ' A' ' 84' ' ' LEU . 3.6 mm? -65.44 -43.18 91.23 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.036 177.662 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.658 HD22 HG11 ' B' ' 115' ' ' VAL . 14.8 mt -66.69 -41.55 87.89 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.626 0.25 . . . . 0.0 111.43 -177.119 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.449 ' OE1' ' HD2' ' A' ' 38' ' ' ARG . 54.0 mt-10 -64.34 -35.87 82.28 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.109 0.48 . . . . 0.0 110.281 173.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.498 ' HG ' HG12 ' A' ' 58' ' ' ILE . 3.4 tm? -62.48 -43.73 98.09 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.901 175.374 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.701 ' HG ' ' O ' ' A' ' 80' ' ' LEU . 13.2 mt -64.77 -15.28 61.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.136 -177.769 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 34.9 m -91.77 -32.74 15.27 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 120.918 0.39 . . . . 0.0 110.826 -174.786 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.431 ' O ' HG13 ' A' ' 90' ' ' VAL . . . -68.32 -40.11 81.75 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.025 -176.273 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.496 ' HB3' HG21 ' A' ' 46' ' ' ILE . 1.2 pp -84.9 -16.6 40.58 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 112.944 0.72 . . . . 0.0 112.944 -172.298 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.448 HG13 HD12 ' A' ' 87' ' ' LEU . 16.9 m -93.37 -22.45 5.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 C-N-CA 120.197 -0.601 . . . . 0.0 110.613 176.213 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 74.8 t60 -69.55 -34.39 74.14 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.248 -0.433 . . . . 0.0 109.915 177.141 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.536 ' HA ' HG11 ' B' ' 99' ' ' VAL . 26.7 m -65.31 -26.64 40.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.432 -177.116 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.603 ' HA ' ' HB3' ' A' ' 94' ' ' ALA . 3.1 mm? -63.94 -19.6 65.25 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-O 120.876 0.369 . . . . 0.0 110.923 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 25.7 t -64.82 -23.17 67.15 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.02 179.085 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 8.1 t -131.99 14.96 4.74 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.81 0.814 . . . . 0.0 110.066 178.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.603 ' HB3' ' HA ' ' A' ' 91' ' ' LEU . . . -103.25 96.09 6.54 Favored 'General case' 0 N--CA 1.445 -0.684 0 CA-C-N 115.603 -0.726 . . . . 0.0 109.683 177.868 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 10.6 t -70.67 85.79 0.65 Allowed 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.076 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.697 HD13 ' HB1' ' B' ' 47' ' ' ALA . 15.4 tt -69.65 135.71 27.71 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.465 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.954 179.113 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -85.82 -90.78 0.89 Allowed Glycine 0 N--CA 1.447 -0.631 0 C-N-CA 120.856 -0.688 . . . . 0.0 112.212 -179.02 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 8.8 t30 -142.73 125.89 16.42 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 110.259 -0.274 . . . . 0.0 110.259 179.266 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.46 HG12 ' HB2' ' B' ' 93' ' ' SER . 8.9 m -107.04 143.18 18.14 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.749 179.57 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 49.0 m -105.42 141.37 37.04 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.509 -179.189 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 44.9 m -81.69 54.5 2.41 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.265 -177.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 7.1 p -150.83 133.62 6.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-O 120.873 0.368 . . . . 0.0 110.729 -179.343 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 101.37 -0.66 53.69 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.871 -0.681 . . . . 0.0 112.25 178.502 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 20.4 t -64.41 -30.2 49.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.663 0.268 . . . . 0.0 110.506 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -49.74 -46.55 50.57 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-O 121.524 0.678 . . . . 0.0 109.834 175.699 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 15.5 m -66.66 -37.45 84.82 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.429 -0.805 . . . . 0.0 111.532 -178.806 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 22.3 m -64.49 -40.77 96.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.213 0.53 . . . . 0.0 110.458 179.054 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.588 ' O ' HG12 ' A' ' 111' ' ' VAL . 4.0 mt -60.36 -38.54 84.17 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.287 -0.869 . . . . 0.0 111.198 178.268 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 14.7 m-80 -59.64 -26.31 65.41 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.489 177.462 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 39.9 t -87.55 -37.92 11.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.359 -178.098 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.588 HG12 ' O ' ' A' ' 108' ' ' LEU . 9.9 p -63.35 -23.7 33.99 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.243 0 CA-C-O 121.472 0.654 . . . . 0.0 110.557 -178.249 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . 0.554 ' HG2' HG12 ' B' ' 27' ' ' VAL . 21.3 mt-30 -70.58 -19.39 62.87 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.926 179.112 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -84.3 -32.58 24.28 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.063 -175.52 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 11.7 p -82.79 -45.48 14.3 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.921 -173.169 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.56 HG11 HD22 ' B' ' 81' ' ' LEU . 14.9 p -104.24 -18.66 6.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-O 121.067 0.461 . . . . 0.0 110.918 -174.554 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -61.11 -22.19 60.25 Favored Glycine 0 N--CA 1.451 -0.345 0 CA-C-N 115.814 -0.63 . . . . 0.0 112.869 -178.13 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.34 6.26 43.83 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.736 0.303 . . . . 0.0 111.127 -178.746 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . 0.591 ' HB3' HD23 ' A' ' 76' ' ' LEU . 73.9 m-85 -117.91 -34.17 4.25 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.258 0.552 . . . . 0.0 109.868 176.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.422 ' O ' ' HB3' ' B' ' 22' ' ' SER . 33.7 m . . . . . 0 C--N 1.326 -0.443 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.593 177.535 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 22' ' ' SER . . . . . 0.422 ' HB3' ' O ' ' A' ' 119' ' ' VAL . 6.0 m . . . . . 0 N--CA 1.448 -0.562 0 CA-C-O 120.91 0.386 . . . . 0.0 110.498 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -147.8 121.58 9.29 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -79.68 -20.19 47.17 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.455 -177.078 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -69.78 -20.33 75.82 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.37 -0.919 . . . . 0.0 112.072 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -80.75 4.12 20.01 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.526 0.679 . . . . 0.0 110.024 175.122 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 27' ' ' VAL . . . . . 0.554 HG12 ' HG2' ' A' ' 112' ' ' GLN . 2.6 t -117.71 -42.78 2.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.139 -0.937 . . . . 0.0 109.931 179.846 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 63.9 m-20 -69.74 -11.77 61.11 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.241 -0.89 . . . . 0.0 111.461 -175.082 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 76.3 ttt180 -92.99 1.87 57.09 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-O 121.348 0.594 . . . . 0.0 110.404 179.452 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . 0.6 HD11 ' HB3' ' B' ' 81' ' ' LEU . 68.2 mt -79.16 -29.58 43.12 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.253 179.473 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 3.0 p -78.27 7.41 6.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.441 0.638 . . . . 0.0 110.689 178.791 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 67.5 m -91.04 152.55 20.61 Favored 'General case' 0 N--CA 1.437 -1.077 0 CA-C-N 115.237 -0.892 . . . . 0.0 109.637 174.419 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.65 -14.99 62.32 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.972 0.415 . . . . 0.0 111.047 -178.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -57.7 -56.59 19.91 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.856 177.585 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 35' ' ' ALA . . . . . 0.61 ' O ' HG23 ' B' ' 39' ' ' VAL . . . -57.89 -52.0 67.3 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.56 -179.808 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -52.13 -31.0 29.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.395 -178.567 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 10.8 t -74.12 -27.31 60.8 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.563 -178.526 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 38' ' ' ARG . . . . . 0.424 ' HD2' ' OE1' ' B' ' 82' ' ' GLU . 65.1 mtt180 -96.39 -45.45 6.78 Favored 'General case' 0 CA--C 1.516 -0.342 0 CA-C-O 121.931 0.872 . . . . 0.0 109.888 -177.038 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 39' ' ' VAL . . . . . 0.61 HG23 ' O ' ' B' ' 35' ' ' ALA . 34.7 t -63.36 -36.9 77.98 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.825 0 CA-C-N 114.26 -1.336 . . . . 0.0 110.975 -175.448 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 40' ' ' SER . . . . . 0.468 ' O ' HG12 ' B' ' 43' ' ' ILE . 91.9 p -72.89 -12.24 60.89 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.97 0.414 . . . . 0.0 111.273 -179.029 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 9.8 t -89.55 -15.94 31.79 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.385 0.612 . . . . 0.0 110.034 -179.008 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 45.3 m-80 -112.43 -5.87 14.05 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.087 -174.168 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 43' ' ' ILE . . . . . 0.517 HG13 ' N ' ' B' ' 44' ' ' ALA . 5.3 pt -58.5 -42.19 83.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.972 177.725 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 44' ' ' ALA . . . . . 0.517 ' N ' HG13 ' B' ' 43' ' ' ILE . . . -79.21 -12.95 59.97 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.108 0.48 . . . . 0.0 110.657 -176.255 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -82.06 -49.91 9.67 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.998 -179.598 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 41.4 mt -65.62 -35.7 75.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.158 178.393 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . 0.697 ' HB1' HD13 ' A' ' 96' ' ' ILE . . . -62.72 -23.74 67.32 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.395 178.302 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 13.2 t -92.3 -38.02 12.31 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.207 -176.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -99.01 -21.82 14.75 Favored Glycine 0 CA--C 1.519 0.336 0 C-N-CA 120.399 -0.905 . . . . 0.0 113.457 -175.741 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 77.52 -75.79 1.77 Allowed Glycine 0 N--CA 1.448 -0.555 0 N-CA-C 111.695 -0.562 . . . . 0.0 111.695 -179.552 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -122.87 -27.45 4.27 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.163 0.506 . . . . 0.0 110.587 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 9.8 m -75.6 -3.2 33.01 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.725 -177.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -92.58 -18.01 23.66 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.431 177.461 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 54' ' ' LEU . . . . . 0.472 ' N ' ' HD2' ' B' ' 55' ' ' PRO . 47.5 mt -55.23 -56.34 29.66 Favored Pre-proline 0 CA--C 1.533 0.318 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.9 -177.478 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 55' ' ' PRO . . . . . 0.472 ' HD2' ' N ' ' B' ' 54' ' ' LEU . 14.7 Cg_endo -59.96 -23.2 72.03 Favored 'Trans proline' 0 C--N 1.353 0.798 0 C-N-CA 122.276 1.984 . . . . 0.0 112.621 -177.524 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 20.8 m -89.24 -38.75 14.0 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.029 0.442 . . . . 0.0 110.945 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 54.1 t -80.07 -42.16 21.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.838 -173.46 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 58' ' ' ILE . . . . . 0.543 HG12 ' HG ' ' B' ' 83' ' ' LEU . 58.1 mt -59.12 -37.39 67.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.862 176.818 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 15.8 t -68.64 -38.92 80.86 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.969 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -58.54 -53.51 57.54 Favored 'General case' 0 CA--C 1.517 -0.325 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.727 177.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 50.5 mt -70.58 -43.26 77.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.463 -175.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 62' ' ' TYR . . . . . 0.404 ' CE2' HG21 ' B' ' 66' ' ' VAL . 59.3 t80 -56.31 -48.67 76.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.811 0.338 . . . . 0.0 110.672 -178.427 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 19.7 m -60.42 -30.51 69.67 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.838 179.328 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -73.94 -42.62 36.99 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.956 -0.64 . . . . 0.0 111.692 179.351 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 65' ' ' VAL . . . . . 0.645 HG12 HG11 ' B' ' 70' ' ' VAL . 63.7 t -68.8 -44.36 82.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 120.813 0.34 . . . . 0.0 110.855 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 66' ' ' VAL . . . . . 0.404 HG21 ' CE2' ' B' ' 62' ' ' TYR . 77.3 t -60.26 -37.19 72.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-O 120.843 0.354 . . . . 0.0 110.806 179.649 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.57 -7.06 23.17 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.818 178.146 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 68' ' ' SER . . . . . 0.416 ' HB3' ' O ' ' B' ' 65' ' ' VAL . 40.3 t -83.13 -9.66 59.08 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.897 0.38 . . . . 0.0 110.243 177.352 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 91.23 30.26 11.24 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.85 -0.69 . . . . 0.0 112.217 178.133 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . 0.645 HG11 HG12 ' B' ' 65' ' ' VAL . 11.6 p -97.88 158.58 3.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-O 120.595 0.236 . . . . 0.0 110.458 -179.079 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 35.0 t -67.53 144.55 55.58 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 110.085 -0.339 . . . . 0.0 110.085 175.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 4.0 m -55.5 -46.75 76.93 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 112.323 0.49 . . . . 0.0 112.323 -175.053 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -68.72 -34.51 75.75 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.931 0.396 . . . . 0.0 110.205 -175.34 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -77.05 -32.22 56.76 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.074 0.464 . . . . 0.0 109.923 178.701 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . 0.625 ' HB2' HG13 ' B' ' 70' ' ' VAL . . . -62.39 -37.28 85.14 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.91 176.694 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 76' ' ' LEU . . . . . 0.464 ' O ' ' HB2' ' B' ' 80' ' ' LEU . 2.7 tm? -55.35 -44.38 75.91 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.097 -0.501 . . . . 0.0 109.953 178.313 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 77' ' ' ILE . . . . . 0.611 ' O ' ' HG ' ' B' ' 81' ' ' LEU . 46.6 mm -67.72 -55.46 16.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.89 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 78' ' ' GLN . . . . . . . . . . . . . 41.4 tp60 -53.42 -50.16 65.8 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-O 121.037 0.446 . . . . 0.0 111.058 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.31 -37.01 85.81 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.115 -177.05 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 80' ' ' LEU . . . . . 0.548 ' O ' HD23 ' B' ' 84' ' ' LEU . 4.3 mt -70.18 -39.3 75.34 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.928 178.841 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . 0.611 ' HG ' ' O ' ' B' ' 77' ' ' ILE . 23.6 mt -69.09 -37.29 78.35 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-O 120.727 0.299 . . . . 0.0 110.845 -179.235 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 82' ' ' GLU . . . . . 0.424 ' OE1' ' HD2' ' B' ' 38' ' ' ARG . 44.8 mt-10 -62.35 -34.77 77.31 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.15 0.5 . . . . 0.0 109.899 170.26 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 83' ' ' LEU . . . . . 0.543 ' HG ' HG12 ' B' ' 58' ' ' ILE . 3.4 tm? -68.64 -42.47 77.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.111 0.482 . . . . 0.0 110.063 178.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 84' ' ' LEU . . . . . 0.548 HD23 ' O ' ' B' ' 80' ' ' LEU . 3.7 mm? -66.87 -8.32 28.23 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.646 -0.706 . . . . 0.0 112.379 -176.78 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 37.9 t -100.53 -22.54 14.96 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 120.647 -0.421 . . . . 0.0 110.736 -179.426 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 86' ' ' ALA . . . . . 0.433 ' HB2' HG13 ' B' ' 39' ' ' VAL . . . -71.88 -43.69 65.0 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.289 0.566 . . . . 0.0 110.387 -178.018 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 87' ' ' LEU . . . . . 0.483 HD12 ' N ' ' B' ' 88' ' ' VAL . 1.0 OUTLIER -82.29 -20.53 37.31 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.34 -0.845 . . . . 0.0 112.937 -171.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 88' ' ' VAL . . . . . 0.483 ' N ' HD12 ' B' ' 87' ' ' LEU . 22.5 m -90.47 -22.3 6.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 C-N-CA 120.253 -0.579 . . . . 0.0 110.514 176.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 89' ' ' HIS . . . . . . . . . . . . . 64.7 t60 -68.43 -38.51 81.26 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.99 178.087 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 90' ' ' VAL . . . . . 0.412 ' HB ' ' CD1' ' A' ' 96' ' ' ILE . 31.5 m -65.97 -27.63 41.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.77 -175.462 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 91' ' ' LEU . . . . . 0.648 ' HA ' ' HB3' ' B' ' 94' ' ' ALA . 2.6 mm? -62.96 -21.94 66.45 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.611 -0.268 . . . . 0.0 111.122 -179.396 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 22.7 t -65.06 -26.59 68.31 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.808 0.337 . . . . 0.0 110.646 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 93' ' ' SER . . . . . 0.46 ' HB2' HG12 ' A' ' 99' ' ' VAL . 21.8 m -117.58 7.64 12.69 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.401 0.619 . . . . 0.0 110.344 179.412 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 94' ' ' ALA . . . . . 0.648 ' HB3' ' HA ' ' B' ' 91' ' ' LEU . . . -106.06 104.01 13.62 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.824 -177.852 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 26.6 t -80.94 92.92 6.23 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.118 0.485 . . . . 0.0 110.077 178.56 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 96' ' ' ILE . . . . . 0.688 HD13 ' HB1' ' A' ' 47' ' ' ALA . 13.6 tt -69.02 146.21 12.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.25 178.746 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 97' ' ' GLY . . . . . . . . . . . . . . . -95.05 -94.81 1.69 Allowed Glycine 0 N--CA 1.448 -0.541 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.243 178.428 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 98' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -137.08 115.69 12.03 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.805 0.336 . . . . 0.0 110.793 179.558 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 99' ' ' VAL . . . . . 0.536 HG11 ' HA ' ' A' ' 90' ' ' VAL . 2.6 m -98.3 131.66 44.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-O 121.12 0.486 . . . . 0.0 111.377 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 100' ' ' SER . . . . . . . . . . . . . 18.2 m -91.45 152.63 20.29 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.944 178.085 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 11.4 p -84.24 7.02 20.5 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.111 0.481 . . . . 0.0 111.375 -179.292 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 44.9 t -104.43 117.07 49.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.428 -176.507 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . 124.97 -10.59 7.86 Favored Glycine 0 N--CA 1.45 -0.371 0 CA-C-N 115.878 -0.601 . . . . 0.0 112.211 177.658 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 104' ' ' VAL . . . . . . . . . . . . . 24.1 t -59.51 -33.05 50.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.848 0.356 . . . . 0.0 110.15 179.01 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -49.37 -46.43 47.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.262 -0.881 . . . . 0.0 110.762 177.012 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 44.7 m -75.39 -37.95 60.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.514 -177.54 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 22.5 m -59.58 -34.78 73.14 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-O 121.364 0.602 . . . . 0.0 110.623 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 108' ' ' LEU . . . . . 0.499 HD21 HG21 ' A' ' 39' ' ' VAL . 4.6 mt -64.54 -22.87 67.09 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.457 -0.792 . . . . 0.0 111.66 179.43 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 109' ' ' ASN . . . . . 0.507 ' N ' HD22 ' B' ' 109' ' ' ASN . 0.8 OUTLIER -72.01 -24.17 61.52 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.226 0.536 . . . . 0.0 109.852 177.974 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 110' ' ' VAL . . . . . . . . . . . . . 25.0 t -85.05 -40.08 14.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.893 -177.287 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 111' ' ' VAL . . . . . 0.464 HG12 ' O ' ' B' ' 108' ' ' LEU . 10.0 p -61.55 -33.53 57.56 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.316 0 CA-C-O 121.0 0.428 . . . . 0.0 110.709 -178.167 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 112' ' ' GLN . . . . . 0.494 ' HG3' ' O ' ' B' ' 108' ' ' LEU . 24.5 mt-30 -66.29 -30.52 70.96 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-O 121.514 0.673 . . . . 0.0 110.283 -179.309 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 113' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -74.54 -27.37 60.49 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 114.741 -1.118 . . . . 0.0 110.894 -173.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 4.3 m -87.39 -41.64 13.44 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.488 -0.778 . . . . 0.0 111.727 -173.022 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 115' ' ' VAL . . . . . 0.658 HG11 HD22 ' A' ' 81' ' ' LEU . 14.9 p -107.77 -21.33 5.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 120.87 0.366 . . . . 0.0 111.7 -171.699 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 116' ' ' GLY . . . . . . . . . . . . . . . -62.32 -17.32 56.1 Favored Glycine 0 CA--C 1.519 0.311 0 CA-C-N 116.283 -0.417 . . . . 0.0 113.466 -175.285 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 117' ' ' GLN . . . . . 0.421 HE21 ' HB2' ' B' ' 117' ' ' GLN . 0.0 OUTLIER -92.14 -0.47 57.44 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.769 0.318 . . . . 0.0 111.356 -179.38 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 118' ' ' TYR . . . . . . . . . . . . . 72.8 m-85 -113.86 -30.13 6.84 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.957 178.356 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 119' ' ' VAL . . . . . 0.448 ' O ' ' HB3' ' A' ' 22' ' ' SER . 28.0 m -88.18 -5.32 10.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.714 -179.792 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.919 0 CA-C-O 118.636 -1.091 . . . . 0.0 111.886 -179.202 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 16.0 m . . . . . 0 N--CA 1.447 -0.584 0 CA-C-O 120.751 0.31 . . . . 0.0 110.591 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -148.04 123.48 10.35 Favored 'General case' 0 N--CA 1.449 -0.489 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 179.789 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -80.86 -21.98 40.26 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.64 -175.678 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.01 -30.86 67.38 Favored Glycine 0 C--N 1.329 0.152 0 C-N-CA 121.255 -0.498 . . . . 0.0 112.591 -178.745 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.545 ' HB1' ' HB2' ' A' ' 78' ' ' GLN . . . -71.28 -16.15 62.46 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.93 0.395 . . . . 0.0 110.892 179.098 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.43 HG22 ' CD1' ' A' ' 81' ' ' LEU . 3.3 t -95.05 -41.41 11.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.002 -174.612 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 21.6 m-80 -68.25 -17.86 64.4 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-O 121.222 0.534 . . . . 0.0 110.692 -177.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 79.1 ttt180 -78.78 -9.03 59.3 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.161 -177.384 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.676 ' HB3' HD12 ' B' ' 108' ' ' LEU . 54.3 mt -77.11 -24.38 51.73 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.954 -173.648 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 16.6 p -77.85 0.72 22.84 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.096 0.474 . . . . 0.0 110.855 -178.251 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 35.9 t -87.67 166.68 14.49 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.747 176.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.08 -16.21 63.74 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.188 -179.181 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -55.38 -58.01 9.49 Favored 'General case' 0 CA--C 1.519 -0.237 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.892 179.344 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.617 ' O ' HG23 ' A' ' 39' ' ' VAL . . . -61.27 -54.62 41.73 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.028 -179.208 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -54.41 -28.94 47.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.736 -176.365 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 71.3 m -75.35 -18.37 60.0 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 112.332 0.493 . . . . 0.0 112.332 178.662 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.586 ' HD2' ' OE1' ' A' ' 82' ' ' GLU . 62.1 mtt180 -104.85 -47.31 4.06 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.441 0.638 . . . . 0.0 109.87 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.617 HG23 ' O ' ' A' ' 35' ' ' ALA . 42.9 t -55.6 -51.31 59.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 114.769 -1.105 . . . . 0.0 111.152 -178.8 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.9 m -70.76 -9.83 58.18 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.379 -177.247 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 46.1 t -91.11 -10.62 41.28 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.0 0.429 . . . . 0.0 110.221 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 41.0 m-80 -120.83 -1.0 10.01 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.345 -176.142 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.488 HG13 ' N ' ' A' ' 44' ' ' ALA . 4.1 pt -59.59 -40.28 81.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.97 0.414 . . . . 0.0 110.949 177.576 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.488 ' N ' HG13 ' A' ' 43' ' ' ILE . . . -78.26 -12.85 60.03 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.117 -177.167 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -81.31 -52.02 7.75 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.251 0.548 . . . . 0.0 110.313 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 32.9 mt -66.45 -32.71 59.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.299 -179.636 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.773 ' HB1' HD13 ' B' ' 96' ' ' ILE . . . -65.68 -18.84 65.62 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.254 178.542 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 42.0 t -98.99 -47.04 5.39 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.058 -177.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -90.2 -22.57 34.75 Favored Glycine 0 CA--C 1.519 0.32 0 C-N-CA 120.679 -0.772 . . . . 0.0 113.36 -176.245 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 73.24 -77.96 0.83 Allowed Glycine 0 N--CA 1.45 -0.42 0 N-CA-C 111.597 -0.601 . . . . 0.0 111.597 -178.368 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -114.84 -26.57 7.75 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-O 121.189 0.519 . . . . 0.0 110.295 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 16.3 m -71.66 -11.67 60.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.6 -178.656 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -88.1 -18.32 29.1 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.741 -179.257 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.467 HD11 HG11 ' B' ' 88' ' ' VAL . 32.7 mt -54.8 -56.51 26.63 Favored Pre-proline 0 C--N 1.327 -0.389 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.947 -177.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.46 ' HD2' ' N ' ' A' ' 54' ' ' LEU . 19.2 Cg_endo -60.99 -21.71 72.3 Favored 'Trans proline' 0 C--N 1.352 0.751 0 C-N-CA 122.104 1.869 . . . . 0.0 112.544 -178.629 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 19.3 m -87.39 -45.3 10.67 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.921 0.391 . . . . 0.0 110.797 179.598 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 73.2 t -75.55 -42.68 42.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.499 -172.057 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.523 HG12 HD22 ' A' ' 83' ' ' LEU . 60.7 mt -58.45 -40.79 79.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.384 177.768 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 8.6 t -70.19 -36.7 74.8 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.175 -178.321 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -59.44 -51.52 69.55 Favored 'General case' 0 CA--C 1.52 -0.209 0 CA-C-O 121.397 0.618 . . . . 0.0 110.334 177.477 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.466 ' O ' HG23 ' A' ' 65' ' ' VAL . 52.1 mt -72.08 -43.49 66.87 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 115.199 -0.909 . . . . 0.0 111.293 -176.384 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.442 ' O ' HG23 ' A' ' 66' ' ' VAL . 51.5 t80 -54.65 -52.73 61.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.792 -178.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 33.5 t -58.94 -33.83 71.05 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.565 179.731 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -70.28 -38.58 71.45 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.983 -0.627 . . . . 0.0 112.091 -179.112 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.749 HG12 HG11 ' A' ' 70' ' ' VAL . 46.5 t -74.34 -45.12 47.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-O 120.732 0.301 . . . . 0.0 110.845 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.442 HG23 ' O ' ' A' ' 62' ' ' TYR . 86.2 t -59.63 -37.37 70.37 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.309 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.159 -178.709 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.5 -16.13 53.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.697 -179.754 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 16.9 t -77.51 -19.82 55.24 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.841 0.353 . . . . 0.0 110.883 -179.339 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 102.13 33.92 4.44 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.415 -178.556 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.749 HG11 HG12 ' A' ' 65' ' ' VAL . 14.9 p -97.79 159.83 3.14 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 N-CA-C 110.065 -0.346 . . . . 0.0 110.065 179.387 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 40.1 t -68.52 157.5 35.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.526 0.203 . . . . 0.0 110.528 178.217 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 13.0 m -56.39 -53.73 53.94 Favored 'General case' 0 CA--C 1.532 0.275 0 N-CA-C 112.29 0.478 . . . . 0.0 112.29 -174.18 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 24.3 t-20 -75.86 -35.5 59.89 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.624 -0.43 . . . . 0.0 110.89 -176.036 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -63.47 -31.96 73.27 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.225 0.536 . . . . 0.0 109.582 177.534 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.628 ' HB2' HG13 ' A' ' 70' ' ' VAL . . . -66.36 -45.31 80.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.62 174.093 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.424 HD23 ' HB3' ' A' ' 118' ' ' TYR . 2.9 tm? -53.56 -46.73 70.37 Favored 'General case' 0 CA--C 1.519 -0.234 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.76 177.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.772 ' O ' ' HG ' ' A' ' 81' ' ' LEU . 38.4 mm -60.15 -58.56 6.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.018 178.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . 0.545 ' HB2' ' HB1' ' A' ' 26' ' ' ALA . 51.2 tt0 -57.63 -48.69 78.75 Favored 'General case' 0 N--CA 1.461 0.094 0 CA-C-O 120.773 0.32 . . . . 0.0 111.355 -177.884 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.04 -33.02 72.64 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.234 -178.536 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.549 ' O ' HD23 ' A' ' 84' ' ' LEU . 6.3 mt -71.88 -39.83 69.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.863 0.363 . . . . 0.0 110.501 175.149 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.772 ' HG ' ' O ' ' A' ' 77' ' ' ILE . 48.6 mt -63.72 -36.66 84.58 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.019 0.438 . . . . 0.0 110.512 178.576 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.586 ' OE1' ' HD2' ' A' ' 38' ' ' ARG . 50.8 mt-10 -74.53 -13.22 60.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.764 175.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.523 HD22 HG12 ' A' ' 58' ' ' ILE . 23.3 tp -88.31 -44.09 11.06 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.052 0.453 . . . . 0.0 110.559 174.784 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.565 HD21 HD21 ' B' ' 84' ' ' LEU . 4.5 mm? -67.13 -2.84 6.19 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.569 -0.742 . . . . 0.0 111.894 -176.235 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.2 p -101.77 -28.34 12.51 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.029 177.729 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -72.64 -47.3 48.74 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.468 0.652 . . . . 0.0 110.585 -177.501 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.464 HD12 ' N ' ' A' ' 88' ' ' VAL . 1.0 OUTLIER -77.34 -17.13 58.52 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.267 -0.879 . . . . 0.0 112.695 -172.642 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.464 ' N ' HD12 ' A' ' 87' ' ' LEU . 16.9 m -90.5 -26.47 5.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 C-N-CA 120.479 -0.488 . . . . 0.0 110.711 177.606 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 45.7 t60 -68.55 -36.01 78.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.112 179.239 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 25.0 m -65.02 -26.75 40.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.17 -176.466 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.615 ' HA ' ' HB3' ' A' ' 94' ' ' ALA . 3.2 mm? -65.69 -23.9 66.88 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 120.659 0.266 . . . . 0.0 111.344 -179.278 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 32.3 t -61.28 -31.72 71.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.266 0.555 . . . . 0.0 110.071 178.45 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . 0.584 ' HB2' HG12 ' B' ' 99' ' ' VAL . 49.4 m -106.31 -23.82 12.45 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.796 -179.119 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.615 ' HB3' ' HA ' ' A' ' 91' ' ' LEU . . . -74.55 103.96 5.07 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-N 115.56 -0.745 . . . . 0.0 111.243 -178.791 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 4.5 p -77.0 86.73 3.52 Favored 'General case' 0 N--CA 1.419 -1.983 0 CA-C-N 115.265 -0.88 . . . . 0.0 110.452 176.757 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.759 HD13 ' HB1' ' B' ' 47' ' ' ALA . 21.0 tt -70.33 148.15 11.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.912 -179.671 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -97.41 -100.58 2.05 Favored Glycine 0 N--CA 1.447 -0.593 0 C-N-CA 120.833 -0.699 . . . . 0.0 111.879 178.501 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -130.62 125.69 34.73 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.873 -0.417 . . . . 0.0 109.873 179.223 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.52 ' CG1' HD11 ' A' ' 96' ' ' ILE . 4.7 m -106.81 132.17 54.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-O 121.054 0.455 . . . . 0.0 111.233 -178.782 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 21.2 m -87.53 148.36 24.94 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.455 178.777 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 54.4 m -85.0 24.37 1.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.173 0.511 . . . . 0.0 110.651 178.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 60.1 t -117.85 131.42 70.63 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.469 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.918 -176.608 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 103.22 -10.53 54.73 Favored Glycine 0 N--CA 1.45 -0.414 0 CA-C-N 115.871 -0.604 . . . . 0.0 112.624 177.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.404 ' O ' HD12 ' A' ' 108' ' ' LEU . 22.0 t -57.71 -34.67 48.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 176.622 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -48.9 -48.23 42.62 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 114.888 -1.051 . . . . 0.0 111.009 175.296 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 22.2 m -81.1 -28.05 35.37 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.327 -0.851 . . . . 0.0 111.312 -175.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 28.4 m -62.75 -36.33 82.7 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.158 0.504 . . . . 0.0 110.083 176.093 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.562 ' O ' ' HG3' ' A' ' 112' ' ' GLN . 2.3 mt -61.94 -25.33 67.53 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.541 -0.754 . . . . 0.0 111.531 178.489 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . 0.482 HD22 ' N ' ' A' ' 109' ' ' ASN . 0.8 OUTLIER -69.08 -25.53 64.48 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.192 0.52 . . . . 0.0 110.26 178.118 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 41.6 t -85.81 -38.67 13.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.109 -176.156 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.509 HG12 ' O ' ' A' ' 108' ' ' LEU . 8.0 p -62.97 -26.03 39.97 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.396 0 CA-C-O 121.399 0.619 . . . . 0.0 110.651 -177.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . 0.562 ' HG3' ' O ' ' A' ' 108' ' ' LEU . 24.6 mt-30 -70.53 -21.13 62.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.103 -178.622 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -84.18 -32.78 24.4 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.531 -173.163 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . 0.403 ' HB2' HD12 ' A' ' 58' ' ' ILE . 16.8 p -80.58 -46.2 16.11 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.618 -0.719 . . . . 0.0 112.084 -172.456 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 10.5 p -105.69 -18.07 7.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-O 120.96 0.409 . . . . 0.0 111.289 -172.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -56.11 -27.51 51.96 Favored Glycine 0 CA--C 1.519 0.333 0 CA-C-N 116.121 -0.491 . . . . 0.0 113.117 -179.792 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -88.37 4.95 44.37 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 111.756 0.28 . . . . 0.0 111.756 -178.432 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . 0.424 ' HB3' HD23 ' A' ' 76' ' ' LEU . 65.2 m-85 -117.32 -27.8 6.32 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.259 0.552 . . . . 0.0 110.085 177.417 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.435 ' O ' ' HB3' ' B' ' 22' ' ' SER . 26.8 m . . . . . 0 C--N 1.327 -0.377 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.256 173.375 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 22' ' ' SER . . . . . 0.435 ' HB3' ' O ' ' A' ' 119' ' ' VAL . 10.8 m . . . . . 0 N--CA 1.449 -0.524 0 CA-C-O 120.869 0.366 . . . . 0.0 110.998 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 23' ' ' TYR . . . . . 0.566 ' CE1' ' HA ' ' B' ' 74' ' ' GLU . 0.1 OUTLIER -148.37 127.38 12.78 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.881 -0.599 . . . . 0.0 109.619 179.25 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -88.27 -19.91 26.16 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 112.279 0.474 . . . . 0.0 112.279 -174.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.41 -30.81 78.88 Favored Glycine 0 CA--C 1.51 -0.229 0 C-N-CA 121.087 -0.578 . . . . 0.0 112.069 -179.554 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 26' ' ' ALA . . . . . 0.486 ' HB1' ' HB2' ' B' ' 78' ' ' GLN . . . -66.79 -20.37 65.93 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.274 0.559 . . . . 0.0 110.334 176.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 27' ' ' VAL . . . . . 0.41 ' CG1' ' HA ' ' A' ' 112' ' ' GLN . 2.3 t -89.92 -44.73 15.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.302 -0.863 . . . . 0.0 109.843 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 62.3 m-20 -66.97 -26.89 67.04 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.658 -176.307 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 78.1 ttt180 -73.88 -9.17 58.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.626 -0.716 . . . . 0.0 111.087 -178.787 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . 0.726 HD11 ' HB3' ' B' ' 81' ' ' LEU . 79.1 mt -69.74 -21.95 63.41 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.029 0.443 . . . . 0.0 111.047 -178.865 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 61.0 p -75.78 -9.89 58.98 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.618 -179.658 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 69.1 m -78.19 152.28 32.77 Favored 'General case' 0 N--CA 1.442 -0.864 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.879 178.119 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.33 -19.48 55.5 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.901 -0.591 . . . . 0.0 111.149 178.76 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -51.64 -57.14 10.01 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.54 177.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 35' ' ' ALA . . . . . 0.639 ' O ' HG23 ' B' ' 39' ' ' VAL . . . -61.31 -54.93 37.61 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.939 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.7 -35.42 31.08 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.958 -175.502 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 29.9 m -73.66 -17.12 61.18 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.965 -177.278 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 38' ' ' ARG . . . . . 0.429 ' HD2' ' OE1' ' B' ' 82' ' ' GLU . 57.2 mtt180 -100.07 -52.51 3.39 Favored 'General case' 0 CA--C 1.514 -0.438 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 178.487 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 39' ' ' VAL . . . . . 0.639 HG23 ' O ' ' B' ' 35' ' ' ALA . 21.5 t -56.7 -37.79 54.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 114.25 -1.341 . . . . 0.0 111.853 -174.814 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 78.0 p -74.38 -8.47 56.36 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-O 120.854 0.359 . . . . 0.0 111.41 -178.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 19.0 t -98.61 -6.09 30.59 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.49 0.662 . . . . 0.0 109.413 177.543 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 14.7 m120 -102.86 -25.57 13.45 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.256 -0.884 . . . . 0.0 109.824 -176.319 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 43' ' ' ILE . . . . . 0.545 HG13 ' N ' ' B' ' 44' ' ' ALA . 7.1 pt -53.7 -44.95 60.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 114.98 -1.009 . . . . 0.0 112.367 -175.667 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 44' ' ' ALA . . . . . 0.545 ' N ' HG13 ' B' ' 43' ' ' ILE . . . -78.01 -14.87 59.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.971 0.415 . . . . 0.0 110.983 -174.255 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -83.28 -49.66 9.18 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.224 0.535 . . . . 0.0 110.103 -179.608 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 46' ' ' ILE . . . . . 0.405 HG21 ' HB3' ' B' ' 87' ' ' LEU . 50.1 mt -66.58 -34.66 71.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.303 179.332 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . 0.759 ' HB1' HD13 ' A' ' 96' ' ' ILE . . . -63.63 -25.81 68.39 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.564 179.56 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 23.0 t -91.32 -36.52 13.8 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.456 -176.102 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -104.13 -19.26 11.88 Favored Glycine 0 CA--C 1.519 0.31 0 C-N-CA 120.461 -0.876 . . . . 0.0 113.628 -174.579 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 75.47 -79.18 1.09 Allowed Glycine 0 N--CA 1.449 -0.494 0 N-CA-C 111.571 -0.612 . . . . 0.0 111.571 179.607 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -117.46 -17.92 9.93 Favored 'General case' 0 C--N 1.314 -0.937 0 CA-C-O 121.19 0.519 . . . . 0.0 110.185 179.554 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 11.2 t -77.37 -6.65 54.1 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.808 -177.74 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -96.67 -18.37 19.73 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.846 179.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 54' ' ' LEU . . . . . 0.453 HD11 HG11 ' A' ' 88' ' ' VAL . 54.9 mt -53.16 -56.79 20.38 Favored Pre-proline 0 CA--C 1.535 0.398 0 CA-C-N 115.844 -0.616 . . . . 0.0 112.137 -176.513 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 55' ' ' PRO . . . . . 0.439 ' HD2' ' N ' ' B' ' 54' ' ' LEU . 27.8 Cg_endo -63.8 -11.09 25.05 Favored 'Trans proline' 0 C--N 1.354 0.846 0 C-N-CA 122.277 1.985 . . . . 0.0 113.044 -176.41 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 70.4 m -100.14 -41.84 6.96 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.789 0.328 . . . . 0.0 111.12 177.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 90.5 t -76.67 -39.66 32.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.33 -173.476 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 58' ' ' ILE . . . . . 0.509 HG12 ' HG ' ' B' ' 83' ' ' LEU . 69.6 mt -60.49 -38.89 79.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 115.861 -0.609 . . . . 0.0 109.954 176.639 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 9.5 t -69.09 -34.97 75.95 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.058 -179.108 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 96.2 m-20 -63.32 -50.29 70.63 Favored 'General case' 0 CA--C 1.52 -0.182 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.682 177.391 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . 0.448 ' O ' HG23 ' B' ' 65' ' ' VAL . 52.1 mt -71.56 -46.34 63.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.646 -176.381 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 62' ' ' TYR . . . . . 0.461 ' O ' HG23 ' B' ' 66' ' ' VAL . 58.7 t80 -55.44 -54.0 49.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.641 -0.254 . . . . 0.0 110.908 -176.523 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 47.3 m -58.13 -33.6 69.33 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.825 178.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -67.97 -40.67 88.8 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.914 -0.66 . . . . 0.0 111.88 179.37 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 65' ' ' VAL . . . . . 0.634 HG12 HG11 ' B' ' 70' ' ' VAL . 59.7 t -72.59 -43.35 62.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-O 120.75 0.31 . . . . 0.0 111.058 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 66' ' ' VAL . . . . . 0.461 HG23 ' O ' ' B' ' 62' ' ' TYR . 89.7 t -61.67 -42.66 95.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.53 -0.304 . . . . 0.0 111.201 -178.628 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -71.13 -6.93 43.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.562 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 68' ' ' SER . . . . . 0.464 ' HB3' ' O ' ' B' ' 65' ' ' VAL . 38.5 t -81.33 -27.44 34.98 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.959 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 108.82 28.96 4.28 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.357 -0.925 . . . . 0.0 112.347 -176.745 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . 0.634 HG11 HG12 ' B' ' 65' ' ' VAL . 13.3 p -80.06 159.95 4.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 176.34 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 32.9 t -67.34 151.39 47.55 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.101 -0.703 . . . . 0.0 109.101 174.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 12.5 p -54.59 -65.28 0.6 Allowed 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 113.144 0.794 . . . . 0.0 113.144 -169.642 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -73.97 -19.77 60.56 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.129 0.49 . . . . 0.0 110.197 -176.284 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 74' ' ' GLU . . . . . 0.566 ' HA ' ' CE1' ' B' ' 23' ' ' TYR . 43.9 tt0 -70.83 -29.46 65.61 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.549 -0.751 . . . . 0.0 110.37 178.438 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -56.08 -39.54 72.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.448 -0.796 . . . . 0.0 111.293 178.602 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 76' ' ' LEU . . . . . 0.5 HD23 ' HB3' ' B' ' 118' ' ' TYR . 2.6 tm? -56.8 -45.77 82.0 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.007 179.414 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 77' ' ' ILE . . . . . 0.686 ' O ' ' HG ' ' B' ' 81' ' ' LEU . 43.4 mm -63.5 -58.03 9.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.013 -177.017 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 78' ' ' GLN . . . . . 0.486 ' HB2' ' HB1' ' B' ' 26' ' ' ALA . 24.8 tt0 -58.06 -44.88 87.72 Favored 'General case' 0 N--CA 1.465 0.311 0 C-N-CA 121.069 -0.252 . . . . 0.0 111.299 -179.478 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -59.77 -40.09 87.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.966 -179.68 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 80' ' ' LEU . . . . . 0.517 ' O ' HD23 ' B' ' 84' ' ' LEU . 5.7 mt -72.58 -40.52 66.53 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.093 178.721 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . 0.726 ' HB3' HD11 ' B' ' 30' ' ' LEU . 92.9 mt -60.04 -41.86 93.19 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 120.876 0.369 . . . . 0.0 110.779 179.709 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 82' ' ' GLU . . . . . 0.429 ' OE1' ' HD2' ' B' ' 38' ' ' ARG . 55.2 mt-10 -67.69 -31.62 71.72 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.686 175.645 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 83' ' ' LEU . . . . . 0.509 ' HG ' HG12 ' B' ' 58' ' ' ILE . 3.5 tm? -68.99 -44.2 73.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.08 0.467 . . . . 0.0 109.801 177.798 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 84' ' ' LEU . . . . . 0.565 HD21 HD21 ' A' ' 84' ' ' LEU . 4.5 mm? -66.81 -10.64 49.9 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.65 -0.705 . . . . 0.0 111.833 -178.857 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 51.0 m -92.91 -29.41 15.92 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.974 0.416 . . . . 0.0 110.911 -177.032 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -72.16 -44.48 63.0 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.249 0.547 . . . . 0.0 110.843 -177.417 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 87' ' ' LEU . . . . . 0.469 HD12 ' N ' ' B' ' 88' ' ' VAL . 1.3 pp -78.03 -19.36 54.5 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.556 -0.747 . . . . 0.0 112.953 -171.809 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 88' ' ' VAL . . . . . 0.469 ' N ' HD12 ' B' ' 87' ' ' LEU . 16.3 m -89.49 -21.36 6.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 C-N-CA 120.097 -0.641 . . . . 0.0 110.498 176.548 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 89' ' ' HIS . . . . . . . . . . . . . 68.3 t60 -72.24 -34.25 68.14 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.251 178.238 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 90' ' ' VAL . . . . . 0.452 HG22 ' O ' ' B' ' 87' ' ' LEU . 22.8 m -66.27 -26.61 38.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.345 -175.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 91' ' ' LEU . . . . . 0.612 ' HA ' ' HB3' ' B' ' 94' ' ' ALA . 3.5 mm? -66.81 -20.57 65.96 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.908 0.385 . . . . 0.0 110.907 179.624 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 25.9 t -64.49 -24.83 67.75 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.494 179.458 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 93' ' ' SER . . . . . 0.5 ' HB2' HG12 ' A' ' 99' ' ' VAL . 18.0 m -123.48 13.94 9.49 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-O 121.169 0.509 . . . . 0.0 110.662 178.625 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 94' ' ' ALA . . . . . 0.612 ' HB3' ' HA ' ' B' ' 91' ' ' LEU . . . -110.55 95.2 5.41 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.965 -179.19 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 13.3 m -71.3 90.45 0.93 Allowed 'General case' 0 N--CA 1.43 -1.449 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.216 175.416 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 96' ' ' ILE . . . . . 0.773 HD13 ' HB1' ' A' ' 47' ' ' ALA . 19.0 tt -66.78 142.29 16.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.875 -178.244 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 97' ' ' GLY . . . . . . . . . . . . . . . -89.51 -103.89 1.1 Allowed Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 121.027 -0.606 . . . . 0.0 112.29 178.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 98' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -128.22 113.48 15.74 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.888 0.375 . . . . 0.0 110.997 -178.006 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 99' ' ' VAL . . . . . 0.584 HG12 ' HB2' ' A' ' 93' ' ' SER . 9.9 m -98.01 154.45 3.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.384 176.441 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 100' ' ' SER . . . . . . . . . . . . . 29.5 m -129.17 151.12 50.19 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 116.261 -0.427 . . . . 0.0 109.898 179.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 16.1 p -83.89 22.03 1.21 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.024 0.44 . . . . 0.0 111.1 -178.677 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 47.6 t -109.09 113.07 43.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.544 -176.789 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . 112.73 -9.38 25.77 Favored Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.465 -0.874 . . . . 0.0 112.898 177.544 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 104' ' ' VAL . . . . . . . . . . . . . 48.3 t -58.97 -33.07 48.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.59 0.195 . . . . 0.0 110.651 179.325 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -48.52 -40.87 28.31 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-O 121.457 0.646 . . . . 0.0 110.324 178.786 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 22.7 m -72.96 -30.51 63.89 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 115.67 -0.695 . . . . 0.0 111.452 -179.436 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 21.9 m -70.27 -30.59 67.66 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-O 120.914 0.388 . . . . 0.0 110.299 -176.503 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 108' ' ' LEU . . . . . 0.676 HD12 ' HB3' ' A' ' 30' ' ' LEU . 4.2 mm? -57.45 -34.08 68.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.767 176.089 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 109' ' ' ASN . . . . . . . . . . . . . 14.7 m-80 -68.69 -23.43 64.38 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.185 -178.692 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 110' ' ' VAL . . . . . . . . . . . . . 38.7 t -84.81 -39.39 14.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.587 -178.303 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 111' ' ' VAL . . . . . 0.57 HG12 ' O ' ' B' ' 108' ' ' LEU . 7.7 p -64.0 -30.06 49.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 121.132 0.491 . . . . 0.0 110.274 -179.086 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 112' ' ' GLN . . . . . 0.523 ' HG3' ' O ' ' B' ' 108' ' ' LEU . 24.5 mt-30 -68.02 -24.06 65.07 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.686 178.894 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 113' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -82.32 -35.98 27.4 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.321 -0.854 . . . . 0.0 110.754 -175.252 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 12.1 m -78.85 -44.62 22.53 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.471 -0.786 . . . . 0.0 111.814 -172.372 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 115' ' ' VAL . . . . . 0.463 HG12 ' O ' ' B' ' 111' ' ' VAL . 10.4 p -108.39 -16.92 8.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 120.893 0.378 . . . . 0.0 111.374 -173.876 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 116' ' ' GLY . . . . . . . . . . . . . . . -62.36 -20.23 60.76 Favored Glycine 0 C--O 1.228 -0.251 0 C-N-CA 121.196 -0.526 . . . . 0.0 113.005 -178.251 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -93.92 7.38 45.21 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.675 0.274 . . . . 0.0 111.304 -179.73 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 118' ' ' TYR . . . . . 0.5 ' HB3' HD23 ' B' ' 76' ' ' LEU . 82.4 m-85 -118.42 -26.78 6.14 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.152 0.501 . . . . 0.0 110.271 176.428 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 119' ' ' VAL . . . . . 0.411 HG21 HG21 ' A' ' 27' ' ' VAL . 34.3 m -91.08 -1.98 10.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.831 174.846 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.009 0 CA-C-O 118.402 -1.221 . . . . 0.0 111.804 178.546 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 22.9 m . . . . . 0 C--O 1.234 0.287 0 CA-C-O 120.676 0.274 . . . . 0.0 111.058 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.413 ' OH ' ' HB3' ' A' ' 73' ' ' ASN . 0.2 OUTLIER -153.14 124.38 7.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.413 -177.544 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -86.96 -19.79 28.25 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.813 0.34 . . . . 0.0 111.002 176.786 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.412 ' HA2' HD22 ' A' ' 28' ' ' ASN . . . -61.18 -31.94 78.74 Favored Glycine 0 CA--C 1.511 -0.158 0 C-N-CA 121.176 -0.535 . . . . 0.0 112.306 -178.325 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.491 ' HB1' ' HB2' ' A' ' 78' ' ' GLN . . . -67.9 -20.69 65.13 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.209 0.528 . . . . 0.0 110.406 177.777 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.485 ' CG1' ' HA ' ' B' ' 112' ' ' GLN . 3.5 t -89.43 -42.67 14.55 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.486 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.332 -177.094 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.412 HD22 ' HA2' ' A' ' 25' ' ' GLY . 44.4 m-80 -63.96 -31.76 73.06 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.211 0.529 . . . . 0.0 110.286 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 -65.85 -18.85 65.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.475 -178.477 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.671 HD11 ' HB3' ' A' ' 81' ' ' LEU . 79.0 mt -63.24 -27.98 69.71 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.94 0.4 . . . . 0.0 111.801 -176.652 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 63.1 p -73.12 -6.81 48.15 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.0 -178.265 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 49.9 m -81.78 158.14 24.23 Favored 'General case' 0 N--CA 1.442 -0.847 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 177.113 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.25 -17.77 63.91 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 111.767 0.284 . . . . 0.0 111.767 -175.787 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -52.81 -58.11 7.99 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.963 179.127 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.646 ' O ' HG23 ' A' ' 39' ' ' VAL . . . -57.59 -57.72 11.46 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.729 179.595 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.13 -37.23 33.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.786 -176.418 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 22.1 t -70.07 -23.2 63.03 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.797 -177.759 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.446 ' HD2' ' OE1' ' A' ' 82' ' ' GLU . 61.7 mtt180 -96.2 -49.51 5.2 Favored 'General case' 0 CA--C 1.514 -0.434 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 -179.586 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.646 HG23 ' O ' ' A' ' 35' ' ' ALA . 39.0 t -57.78 -37.18 58.36 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-N 114.247 -1.342 . . . . 0.0 111.562 -176.516 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 69.4 p -73.93 -4.7 36.72 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-O 120.735 0.302 . . . . 0.0 111.633 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 19.6 t -100.66 -11.58 19.88 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.63 0.729 . . . . 0.0 109.499 176.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . 0.444 ' HB3' HG11 ' A' ' 57' ' ' VAL . 11.5 m120 -96.43 -25.7 15.6 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.402 -0.817 . . . . 0.0 109.748 -175.831 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.559 HG13 ' N ' ' A' ' 44' ' ' ALA . 5.2 pt -57.11 -40.08 70.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 114.91 -1.041 . . . . 0.0 111.722 -176.802 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.559 ' N ' HG13 ' A' ' 43' ' ' ILE . . . -80.89 -1.56 43.91 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.798 0.332 . . . . 0.0 111.562 -175.379 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -104.01 -50.59 3.34 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.07 0.462 . . . . 0.0 110.525 178.789 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.494 HG21 ' HB3' ' A' ' 87' ' ' LEU . 50.3 mt -65.81 -33.85 66.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.698 -177.813 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.437 ' HB1' HD13 ' B' ' 96' ' ' ILE . . . -63.03 -23.43 67.45 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.979 -178.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 59.3 m -91.05 -33.39 15.52 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 112.367 0.506 . . . . 0.0 112.367 -175.48 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -112.47 -20.52 6.54 Favored Glycine 0 CA--C 1.517 0.187 0 C-N-CA 120.124 -1.036 . . . . 0.0 113.486 -175.097 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 76.21 -83.1 0.98 Allowed Glycine 0 N--CA 1.445 -0.766 0 N-CA-C 111.153 -0.779 . . . . 0.0 111.153 -178.037 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -106.95 -21.44 13.01 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-O 121.048 0.451 . . . . 0.0 110.568 -179.168 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 39.7 m -72.22 -9.48 58.51 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.136 -177.778 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.422 ' HB3' ' HA ' ' A' ' 46' ' ' ILE . . . -104.62 -9.7 18.07 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.081 -178.418 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.446 HD11 HG11 ' B' ' 88' ' ' VAL . 47.4 mt -57.74 -58.67 16.76 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.631 -176.155 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.413 ' HD2' ' N ' ' A' ' 54' ' ' LEU . 19.1 Cg_endo -61.28 -29.99 87.15 Favored 'Trans proline' 0 C--N 1.351 0.683 0 C-N-CA 121.803 1.669 . . . . 0.0 112.391 -177.787 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 13.6 m -76.57 -32.68 58.3 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.124 0.488 . . . . 0.0 111.061 -177.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.444 HG11 ' HB3' ' A' ' 42' ' ' ASN . 76.0 t -90.9 -39.83 12.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.782 -175.139 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.527 HG12 ' HG ' ' A' ' 83' ' ' LEU . 66.6 mt -59.37 -37.74 71.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.892 0.377 . . . . 0.0 110.33 177.327 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 47.1 t -62.93 -41.31 99.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.946 179.096 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 79.9 m-20 -62.37 -52.45 63.57 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.496 -0.775 . . . . 0.0 111.238 179.501 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.414 ' O ' HG23 ' A' ' 65' ' ' VAL . 44.7 mt -65.72 -46.89 87.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.912 -0.586 . . . . 0.0 111.378 -177.74 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.42 ' O ' HG23 ' A' ' 66' ' ' VAL . 53.8 t80 -57.18 -49.52 75.72 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.733 0.301 . . . . 0.0 110.684 -177.15 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 13.3 t -62.9 -30.13 71.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.474 179.758 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -72.27 -42.49 49.79 Favored Glycine 0 N--CA 1.452 -0.294 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.825 179.052 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.705 HG12 HG11 ' A' ' 70' ' ' VAL . 85.7 t -69.18 -44.79 80.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 115.488 -0.356 . . . . 0.0 111.138 -179.442 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.42 HG23 ' O ' ' A' ' 62' ' ' TYR . 80.2 t -60.17 -41.39 86.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.204 -179.429 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.0 -18.09 59.33 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.737 -179.699 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 45.2 t -72.63 -21.73 61.06 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.104 -179.058 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 96.81 39.06 4.22 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.506 -0.854 . . . . 0.0 111.832 -176.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.705 HG11 HG12 ' A' ' 65' ' ' VAL . 14.7 p -94.99 164.51 2.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 N-CA-C 109.917 -0.401 . . . . 0.0 109.917 178.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.417 ' N ' HG22 ' A' ' 70' ' ' VAL . 31.1 t -66.85 164.96 16.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.641 0.258 . . . . 0.0 110.38 177.088 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 5.3 p -63.37 -69.32 0.28 Allowed 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.309 0.485 . . . . 0.0 112.309 -173.299 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . 0.413 ' HB3' ' OH ' ' A' ' 23' ' ' TYR . 0.2 OUTLIER -69.54 -24.35 63.71 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.099 0.476 . . . . 0.0 110.286 -177.372 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -68.64 -33.17 73.55 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.128 -0.487 . . . . 0.0 109.881 178.728 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.52 ' HB2' HG13 ' A' ' 70' ' ' VAL . . . -61.93 -40.02 94.07 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.621 176.348 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.512 HD23 ' HB3' ' A' ' 118' ' ' TYR . 2.8 tm? -56.67 -50.86 70.85 Favored 'General case' 0 CA--C 1.516 -0.337 0 N-CA-C 109.473 -0.565 . . . . 0.0 109.473 177.625 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.71 ' O ' ' HG ' ' A' ' 81' ' ' LEU . 36.1 mm -60.2 -55.56 23.4 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.984 -177.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . 0.491 ' HB2' ' HB1' ' A' ' 26' ' ' ALA . 21.3 tt0 -57.32 -45.89 83.77 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 120.544 0.212 . . . . 0.0 111.176 -179.751 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -59.99 -41.28 91.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.936 0.398 . . . . 0.0 110.676 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.567 ' O ' HD23 ' A' ' 84' ' ' LEU . 3.5 mm? -67.45 -42.61 82.79 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.126 177.861 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.71 ' HG ' ' O ' ' A' ' 77' ' ' ILE . 74.5 mt -59.78 -45.48 92.15 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.81 0.338 . . . . 0.0 111.057 -179.251 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.446 ' OE1' ' HD2' ' A' ' 38' ' ' ARG . 59.7 mt-10 -64.63 -40.46 95.51 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.092 0.472 . . . . 0.0 110.579 177.409 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.527 ' HG ' HG12 ' A' ' 58' ' ' ILE . 3.5 tm? -60.9 -43.69 98.17 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.22 177.025 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.578 HD21 HD21 ' B' ' 84' ' ' LEU . 3.9 mm? -66.95 -9.36 37.62 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.706 -0.679 . . . . 0.0 112.13 -178.18 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 35.7 m -95.99 -30.91 13.33 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.002 0.429 . . . . 0.0 110.933 -178.331 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.414 ' HB2' HG13 ' A' ' 39' ' ' VAL . . . -68.67 -43.5 76.04 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.239 0.542 . . . . 0.0 111.078 -177.345 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.494 ' HB3' HG21 ' A' ' 46' ' ' ILE . 1.1 pp -80.23 -18.97 47.98 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.631 -0.713 . . . . 0.0 112.794 -171.864 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.454 ' N ' HD12 ' A' ' 87' ' ' LEU . 17.6 m -91.13 -19.72 7.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 C-N-CA 120.228 -0.589 . . . . 0.0 110.441 176.37 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 51.9 t60 -72.8 -34.44 66.9 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.046 177.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.479 ' HA ' HG11 ' B' ' 99' ' ' VAL . 27.5 m -65.73 -28.33 43.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 C-N-CA 120.747 -0.381 . . . . 0.0 111.215 -175.691 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.525 ' HA ' ' HB3' ' A' ' 94' ' ' ALA . 4.1 mm? -65.56 -18.69 65.51 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-O 120.722 0.296 . . . . 0.0 111.294 179.496 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 36.3 t -63.84 -25.72 68.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.826 177.752 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . 0.592 ' HB2' HG12 ' B' ' 99' ' ' VAL . 66.1 m -120.75 -17.07 8.07 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.379 0.609 . . . . 0.0 110.981 -179.348 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.53 ' HA ' ' HA ' ' B' ' 96' ' ' ILE . . . -77.89 97.24 5.22 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.117 179.528 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 5.5 p -71.34 88.34 0.87 Allowed 'General case' 0 N--CA 1.427 -1.607 0 CA-C-N 115.038 -0.983 . . . . 0.0 110.612 177.438 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.701 HD13 ' HB1' ' B' ' 47' ' ' ALA . 20.1 tt -65.64 142.0 17.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-O 120.884 0.373 . . . . 0.0 111.346 -178.807 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -90.24 -84.21 1.37 Allowed Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 120.931 -0.652 . . . . 0.0 111.939 178.435 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 9.8 t30 -150.21 124.06 9.27 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.611 0.243 . . . . 0.0 110.398 178.507 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.659 HG13 HD11 ' A' ' 96' ' ' ILE . 4.4 m -103.91 147.1 10.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.975 179.047 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 34.3 m -111.36 142.13 43.99 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.42 179.12 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 50.5 m -81.8 38.88 0.53 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.256 -179.284 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 58.1 t -130.48 121.35 50.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.566 -0.288 . . . . 0.0 110.391 -178.331 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 103.75 0.12 45.73 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.528 178.029 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 45.3 t -60.32 -34.01 55.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.657 0.265 . . . . 0.0 110.359 178.392 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -50.96 -42.13 59.73 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.234 179.289 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 21.6 m -67.25 -26.42 66.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.072 -179.594 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 19.9 m -76.29 -32.9 59.03 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.057 0.456 . . . . 0.0 109.906 178.722 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.514 ' O ' HG12 ' A' ' 111' ' ' VAL . 4.4 mm? -59.46 -28.57 67.11 Favored 'General case' 0 C--O 1.224 -0.268 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.756 175.322 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . 0.462 HD22 ' N ' ' A' ' 109' ' ' ASN . 0.9 OUTLIER -73.41 -26.74 61.1 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.868 0.366 . . . . 0.0 110.856 -179.036 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 38.9 t -84.5 -37.24 12.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.089 -176.195 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.514 HG12 ' O ' ' A' ' 108' ' ' LEU . 10.8 p -60.41 -30.17 45.86 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.28 0 CA-C-O 121.337 0.589 . . . . 0.0 110.395 -179.677 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . 0.501 ' HG2' HG12 ' B' ' 27' ' ' VAL . 22.9 mt-30 -66.91 -27.88 67.85 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.422 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -80.49 -34.12 36.04 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.08 -177.429 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 9.9 m -74.88 -41.82 59.05 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.128 -0.942 . . . . 0.0 112.1 -171.717 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.522 HG11 HD22 ' B' ' 81' ' ' LEU . 14.6 p -121.74 -15.57 6.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 N-CA-C 111.926 0.343 . . . . 0.0 111.926 -173.07 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -57.52 -31.59 63.52 Favored Glycine 0 C--N 1.329 0.142 0 C-N-CA 121.042 -0.599 . . . . 0.0 112.505 -178.786 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.38 -2.85 40.26 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 111.928 0.344 . . . . 0.0 111.928 -178.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . 0.512 ' HB3' HD23 ' A' ' 76' ' ' LEU . 61.2 m-85 -111.34 -28.39 8.24 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-O 120.707 0.289 . . . . 0.0 110.849 179.564 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 35.9 m . . . . . 0 C--N 1.327 -0.402 0 CA-C-O 121.226 0.536 . . . . 0.0 110.596 175.378 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 51.4 m . . . . . 0 N--CA 1.45 -0.445 0 CA-C-O 120.581 0.229 . . . . 0.0 110.678 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 23' ' ' TYR . . . . . 0.527 ' CE1' ' HA ' ' B' ' 74' ' ' GLU . 0.2 OUTLIER -150.75 123.45 8.58 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.508 -0.315 . . . . 0.0 110.548 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -81.36 -25.54 36.25 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.069 177.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.7 -28.48 71.64 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.951 -0.642 . . . . 0.0 112.694 -178.576 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 26' ' ' ALA . . . . . 0.525 ' HB1' ' HB2' ' B' ' 78' ' ' GLN . . . -71.73 -20.71 61.86 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.394 0.616 . . . . 0.0 110.336 178.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 27' ' ' VAL . . . . . 0.501 HG12 ' HG2' ' A' ' 112' ' ' GLN . 2.5 t -88.29 -38.14 11.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 115.187 -0.915 . . . . 0.0 110.172 -178.448 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 71.4 m-20 -73.5 -7.41 51.7 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.229 -174.454 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 79.5 ttt180 -96.64 -1.5 46.66 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.572 0.701 . . . . 0.0 110.404 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . 0.545 HD11 ' HB3' ' B' ' 81' ' ' LEU . 91.4 mt -75.86 -29.09 58.43 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.554 -176.106 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 7.6 p -77.7 8.43 4.48 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.113 0.482 . . . . 0.0 111.1 179.374 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 74.3 m -85.43 159.11 20.04 Favored 'General case' 0 N--CA 1.442 -0.861 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.385 176.192 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.9 -16.58 63.98 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.985 0.422 . . . . 0.0 110.93 -179.592 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . 0.401 ' O ' ' HG3' ' B' ' 38' ' ' ARG . 32.7 mt-10 -56.94 -63.67 1.13 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.455 176.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 35' ' ' ALA . . . . . 0.521 ' O ' HG23 ' B' ' 39' ' ' VAL . . . -57.45 -52.05 66.95 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.02 -178.882 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -55.86 -22.83 27.34 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.273 0.471 . . . . 0.0 112.273 -176.727 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 7.7 t -88.04 -20.49 25.7 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.679 0.276 . . . . 0.0 111.339 -179.598 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 38' ' ' ARG . . . . . 0.521 ' HD2' ' OE1' ' B' ' 82' ' ' GLU . 66.8 mtt180 -96.04 -49.39 5.29 Favored 'General case' 0 CA--C 1.514 -0.429 0 CA-C-O 121.651 0.738 . . . . 0.0 109.041 -179.424 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 39' ' ' VAL . . . . . 0.521 HG23 ' O ' ' B' ' 35' ' ' ALA . 49.0 t -58.21 -34.25 49.25 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 114.253 -1.339 . . . . 0.0 111.167 -178.239 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 50.7 p -74.42 -9.85 58.99 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.535 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 25.9 t -93.41 -16.27 24.76 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.782 0.801 . . . . 0.0 109.139 176.38 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 42' ' ' ASN . . . . . 0.423 ' OD1' HD11 ' B' ' 61' ' ' ILE . 10.7 m120 -93.06 -27.42 16.98 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 114.94 -1.027 . . . . 0.0 109.812 -174.032 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 43' ' ' ILE . . . . . 0.577 HG13 ' N ' ' B' ' 44' ' ' ALA . 4.4 pt -56.88 -37.62 55.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 115.286 -0.87 . . . . 0.0 111.219 -179.607 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 44' ' ' ALA . . . . . 0.577 ' N ' HG13 ' B' ' 43' ' ' ILE . . . -83.64 -1.51 54.11 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.981 0.419 . . . . 0.0 111.555 -176.397 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -104.81 -52.01 2.95 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.645 179.479 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 46' ' ' ILE . . . . . 0.463 HG21 ' HB3' ' B' ' 87' ' ' LEU . 44.6 mt -66.05 -33.0 60.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.781 -177.826 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . 0.701 ' HB1' HD13 ' A' ' 96' ' ' ILE . . . -61.69 -29.63 70.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.987 179.362 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 18.0 m -91.18 -35.35 14.58 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.798 -175.424 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -96.41 -23.29 16.91 Favored Glycine 0 CA--C 1.518 0.241 0 C-N-CA 120.486 -0.864 . . . . 0.0 113.24 -175.731 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 76.5 -75.94 1.57 Allowed Glycine 0 N--CA 1.449 -0.438 0 N-CA-C 111.559 -0.616 . . . . 0.0 111.559 -179.613 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -122.84 -27.13 4.33 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 121.011 0.434 . . . . 0.0 110.401 179.479 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 12.0 m -71.13 -10.24 59.42 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.564 -177.682 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -90.64 -15.74 29.88 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.676 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 54' ' ' LEU . . . . . 0.443 HD11 HG11 ' A' ' 88' ' ' VAL . 53.7 mt -54.9 -58.02 16.58 Favored Pre-proline 0 CA--C 1.533 0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.62 -178.441 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 55' ' ' PRO . . . . . 0.404 ' HD2' ' N ' ' B' ' 54' ' ' LEU . 20.3 Cg_endo -62.65 -24.82 75.04 Favored 'Trans proline' 0 C--N 1.353 0.766 0 C-N-CA 122.032 1.821 . . . . 0.0 112.506 -179.018 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 8.2 m -78.72 -39.31 36.76 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.228 0.537 . . . . 0.0 110.607 178.768 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 69.1 t -86.33 -40.53 14.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.151 -172.545 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 58' ' ' ILE . . . . . 0.541 HG12 HD22 ' B' ' 83' ' ' LEU . 62.3 mt -58.04 -45.37 88.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 121.074 0.464 . . . . 0.0 110.527 178.074 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 62.8 m -66.73 -23.18 66.07 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.725 -177.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 -77.85 -53.9 6.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.754 177.497 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . 0.423 HD11 ' OD1' ' B' ' 42' ' ' ASN . 40.4 mt -62.86 -45.35 99.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.127 -178.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 62' ' ' TYR . . . . . 0.456 ' O ' HG23 ' B' ' 66' ' ' VAL . 59.6 t80 -56.18 -49.28 74.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.6 -176.767 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 32.2 m -59.53 -33.76 71.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.45 178.406 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -66.87 -40.59 93.63 Favored Glycine 0 N--CA 1.45 -0.374 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.672 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 65' ' ' VAL . . . . . 0.668 HG12 HG11 ' B' ' 70' ' ' VAL . 44.9 t -71.95 -46.18 61.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-O 120.832 0.349 . . . . 0.0 110.966 179.673 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 66' ' ' VAL . . . . . 0.456 HG23 ' O ' ' B' ' 62' ' ' TYR . 86.7 t -59.77 -35.08 58.0 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.242 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.116 -178.415 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -70.5 -6.85 39.18 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.846 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 34.0 t -88.88 -12.68 41.11 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 111.628 0.233 . . . . 0.0 111.628 -177.794 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 94.13 32.25 7.58 Favored Glycine 0 CA--C 1.515 0.09 0 C-N-CA 120.308 -0.949 . . . . 0.0 112.029 -178.254 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . 0.668 HG11 HG12 ' B' ' 65' ' ' VAL . 12.6 p -85.98 162.71 2.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 C-N-CA 122.619 0.368 . . . . 0.0 110.052 179.449 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 33.4 t -70.81 156.52 39.44 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.931 -0.396 . . . . 0.0 109.931 175.496 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 10.0 p -57.23 -64.04 1.02 Allowed 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.398 0.518 . . . . 0.0 112.398 -173.226 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 73' ' ' ASN . . . . . 0.485 ' HB3' ' OH ' ' B' ' 23' ' ' TYR . 0.2 OUTLIER -71.57 -20.53 62.0 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.11 0.481 . . . . 0.0 110.217 -176.901 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 74' ' ' GLU . . . . . 0.527 ' HA ' ' CE1' ' B' ' 23' ' ' TYR . 35.2 tt0 -74.94 -32.81 61.84 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.178 179.457 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . 0.415 ' HB2' HG13 ' B' ' 70' ' ' VAL . . . -58.38 -38.95 78.35 Favored 'General case' 0 CA--C 1.519 -0.22 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.721 176.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 76' ' ' LEU . . . . . 0.525 HD23 ' HB3' ' B' ' 118' ' ' TYR . 2.3 tm? -55.86 -49.32 73.68 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.053 179.191 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 77' ' ' ILE . . . . . 0.723 ' O ' ' HG ' ' B' ' 81' ' ' LEU . 37.2 mm -64.67 -56.22 17.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.262 -175.347 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 78' ' ' GLN . . . . . 0.525 ' HB2' ' HB1' ' B' ' 26' ' ' ALA . 20.6 tt0 -56.71 -45.87 81.58 Favored 'General case' 0 N--CA 1.464 0.246 0 C-N-CA 120.98 -0.288 . . . . 0.0 110.953 -179.569 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -59.36 -43.17 92.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.945 0.402 . . . . 0.0 110.87 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 80' ' ' LEU . . . . . 0.619 ' O ' HD23 ' B' ' 84' ' ' LEU . 2.7 mm? -65.1 -42.37 94.09 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.103 177.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . 0.723 ' HG ' ' O ' ' B' ' 77' ' ' ILE . 41.5 mt -65.22 -40.46 94.12 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.692 0.282 . . . . 0.0 111.392 -176.541 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 82' ' ' GLU . . . . . 0.521 ' OE1' ' HD2' ' B' ' 38' ' ' ARG . 54.1 mt-10 -63.23 -41.9 99.16 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.956 0.408 . . . . 0.0 110.153 174.861 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 83' ' ' LEU . . . . . 0.541 HD22 HG12 ' B' ' 58' ' ' ILE . 32.0 tp -59.22 -45.29 91.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.091 0.472 . . . . 0.0 111.353 176.283 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 84' ' ' LEU . . . . . 0.619 HD23 ' O ' ' B' ' 80' ' ' LEU . 3.8 mm? -64.9 -5.9 7.14 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.463 -0.79 . . . . 0.0 112.132 -176.133 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 85' ' ' SER . . . . . 0.416 ' OG ' HD13 ' A' ' 108' ' ' LEU . 21.4 m -100.29 -25.02 14.39 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 120.871 0.367 . . . . 0.0 110.918 -179.746 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 86' ' ' ALA . . . . . 0.468 ' HB2' HG13 ' B' ' 39' ' ' VAL . . . -74.6 -47.01 34.8 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.65 0.738 . . . . 0.0 110.629 -176.635 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 87' ' ' LEU . . . . . 0.476 HD12 HG13 ' B' ' 88' ' ' VAL . 0.9 OUTLIER -77.93 -14.87 59.39 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 114.979 -1.009 . . . . 0.0 112.775 -172.061 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 88' ' ' VAL . . . . . 0.476 HG13 HD12 ' B' ' 87' ' ' LEU . 19.8 m -96.12 -19.01 6.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 121.009 0.433 . . . . 0.0 110.642 176.528 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 89' ' ' HIS . . . . . . . . . . . . . 60.9 t60 -74.1 -34.26 63.9 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.825 177.735 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 90' ' ' VAL . . . . . 0.439 ' HA ' HG11 ' A' ' 99' ' ' VAL . 34.3 m -66.27 -27.11 39.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.574 -175.454 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 91' ' ' LEU . . . . . 0.655 ' HA ' ' HB3' ' B' ' 94' ' ' ALA . 3.8 mm? -66.38 -22.47 66.25 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.657 -0.247 . . . . 0.0 111.101 -178.826 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 11.2 t -63.13 -27.18 69.2 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.215 0.531 . . . . 0.0 110.333 178.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 93' ' ' SER . . . . . 0.537 ' HB2' HG12 ' A' ' 99' ' ' VAL . 8.7 m -120.93 14.19 11.52 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-O 121.191 0.52 . . . . 0.0 110.33 179.747 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 94' ' ' ALA . . . . . 0.655 ' HB3' ' HA ' ' B' ' 91' ' ' LEU . . . -110.38 97.26 6.76 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.793 -178.407 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 1.5 m -68.22 88.54 0.3 Allowed 'General case' 0 N--CA 1.429 -1.496 0 CA-C-N 115.49 -0.777 . . . . 0.0 111.023 177.698 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 96' ' ' ILE . . . . . 0.672 HD11 HG13 ' B' ' 99' ' ' VAL . 9.9 tt -68.24 139.19 21.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 121.026 0.441 . . . . 0.0 111.77 179.804 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 97' ' ' GLY . . . . . . . . . . . . . . . -86.48 -95.19 0.84 Allowed Glycine 0 N--CA 1.449 -0.469 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.805 177.222 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 98' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -139.65 113.67 8.83 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.842 0.353 . . . . 0.0 110.944 179.48 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 99' ' ' VAL . . . . . 0.672 HG13 HD11 ' B' ' 96' ' ' ILE . 4.0 m -92.23 137.98 20.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.787 176.864 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 100' ' ' SER . . . . . . . . . . . . . 47.4 m -98.01 143.97 28.02 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.015 177.37 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 16.4 m -82.82 11.7 5.69 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.368 0.604 . . . . 0.0 110.495 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 51.0 t -110.58 121.42 63.31 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.519 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.036 -177.572 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . 112.14 -2.39 26.89 Favored Glycine 0 N--CA 1.448 -0.509 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.922 177.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 104' ' ' VAL . . . . . . . . . . . . . 37.9 t -61.29 -29.53 46.07 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.217 0 CA-C-N 116.828 0.314 . . . . 0.0 110.778 178.705 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -47.9 -41.51 24.66 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 121.337 0.589 . . . . 0.0 111.225 178.013 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 13.4 m -64.88 -34.36 78.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.412 -179.29 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 14.4 m -70.93 -34.96 72.01 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.639 -175.353 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 108' ' ' LEU . . . . . 0.565 ' O ' HG12 ' B' ' 111' ' ' VAL . 4.3 mm? -59.23 -36.57 75.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.606 177.087 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 109' ' ' ASN . . . . . . . . . . . . . 17.9 m-80 -67.89 -25.64 65.61 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.378 -178.544 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 110' ' ' VAL . . . . . . . . . . . . . 39.9 t -85.86 -39.78 13.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.054 -176.54 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 111' ' ' VAL . . . . . 0.565 HG12 ' O ' ' B' ' 108' ' ' LEU . 7.1 p -60.88 -26.66 39.35 Favored 'Isoleucine or valine' 0 C--O 1.234 0.266 0 CA-C-O 121.315 0.579 . . . . 0.0 110.497 -178.512 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 112' ' ' GLN . . . . . 0.556 ' HG3' ' O ' ' B' ' 108' ' ' LEU . 24.0 mt-30 -67.84 -20.58 65.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.299 -179.588 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 113' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -85.06 -36.99 20.84 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-O 121.41 0.624 . . . . 0.0 110.066 -176.385 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 114' ' ' SER . . . . . 0.426 ' HB3' HD12 ' B' ' 58' ' ' ILE . 4.8 m -76.04 -46.34 29.77 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.17 -0.923 . . . . 0.0 111.894 -171.667 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 115' ' ' VAL . . . . . 0.409 HG12 ' O ' ' B' ' 111' ' ' VAL . 10.3 p -108.42 -20.14 6.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-O 120.951 0.405 . . . . 0.0 111.372 -172.746 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 116' ' ' GLY . . . . . . . . . . . . . . . -59.77 -29.12 66.73 Favored Glycine 0 C--O 1.228 -0.223 0 CA-C-N 116.17 -0.468 . . . . 0.0 113.294 -176.378 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.24 -7.68 59.63 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 122.728 -0.278 . . . . 0.0 111.626 -178.148 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 118' ' ' TYR . . . . . 0.525 ' HB3' HD23 ' B' ' 76' ' ' LEU . 87.9 m-85 -101.58 -30.56 11.31 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.004 0.431 . . . . 0.0 110.806 179.103 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 119' ' ' VAL . . . . . . . . . . . . . 35.9 m -88.99 -3.36 9.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.418 179.107 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.131 0 CA-C-O 118.849 -0.973 . . . . 0.0 112.231 -179.61 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.454 ' HB3' ' O ' ' B' ' 119' ' ' VAL . 12.3 m . . . . . 0 N--CA 1.444 -0.747 0 CA-C-O 120.784 0.326 . . . . 0.0 110.512 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.563 ' CE1' ' HA ' ' A' ' 74' ' ' GLU . 0.1 OUTLIER -150.6 117.59 5.91 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.034 179.733 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.19 -27.56 53.64 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.559 -176.733 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.442 ' HA2' HD22 ' A' ' 28' ' ' ASN . . . -60.49 -30.76 72.49 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.931 -0.652 . . . . 0.0 112.508 -178.159 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.469 ' HB1' ' HB2' ' A' ' 78' ' ' GLN . . . -67.12 -16.61 64.43 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.102 0.477 . . . . 0.0 110.505 178.233 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.492 HG21 ' HA2' ' B' ' 116' ' ' GLY . 3.2 t -94.49 -44.03 13.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.235 -179.688 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.442 HD22 ' HA2' ' A' ' 25' ' ' GLY . 49.7 m-80 -62.85 -33.4 75.18 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 120.945 0.402 . . . . 0.0 111.223 -177.32 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 6.1 ptp180 -73.22 -1.03 16.09 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.807 -176.58 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.716 HD11 ' HB3' ' A' ' 81' ' ' LEU . 91.0 mt -73.49 -20.66 60.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.929 0.395 . . . . 0.0 110.986 179.24 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 52.8 p -71.82 -11.48 60.83 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.568 178.437 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 32.6 t -71.34 140.86 50.39 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.749 -0.66 . . . . 0.0 109.99 179.768 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.5 -18.39 39.77 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.924 0.392 . . . . 0.0 111.339 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -57.98 -51.32 70.15 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.205 177.221 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.588 ' O ' HG23 ' A' ' 39' ' ' VAL . . . -59.39 -53.54 56.97 Favored 'General case' 0 CA--C 1.515 -0.371 0 CA-C-N 115.589 -0.732 . . . . 0.0 109.93 176.658 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -51.23 -31.73 21.75 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.904 0.383 . . . . 0.0 111.31 -179.357 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 61.1 m -76.68 -32.09 57.69 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.961 -0.563 . . . . 0.0 112.374 179.094 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 77.2 mtt-85 -90.66 -40.67 11.75 Favored 'General case' 0 CA--C 1.516 -0.333 0 CA-C-O 121.765 0.793 . . . . 0.0 109.733 -175.668 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.588 HG23 ' O ' ' A' ' 35' ' ' ALA . 43.5 t -65.41 -42.14 92.78 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.92 0 CA-C-N 114.394 -1.275 . . . . 0.0 110.841 -178.858 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.512 ' O ' HG12 ' A' ' 43' ' ' ILE . 95.7 p -71.96 -15.57 62.07 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-O 121.14 0.495 . . . . 0.0 110.887 -179.745 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 47.3 t -81.42 -7.9 59.65 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.361 179.635 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 47.3 m-80 -126.14 -2.49 7.01 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.574 -176.552 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.512 HG12 ' O ' ' A' ' 40' ' ' SER . 5.4 pt -59.35 -40.5 81.63 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.234 0 CA-C-O 121.039 0.447 . . . . 0.0 110.57 177.476 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.504 ' N ' HG13 ' A' ' 43' ' ' ILE . . . -79.88 -11.59 59.8 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.91 -177.34 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -82.58 -49.12 10.2 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.203 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 40.0 mt -67.45 -32.06 55.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.041 177.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.661 ' HB1' HD13 ' B' ' 96' ' ' ILE . . . -69.74 -2.11 11.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.402 176.662 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 30.2 t -110.82 -49.32 3.05 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.724 -179.158 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -93.25 -21.02 30.99 Favored Glycine 0 C--N 1.331 0.271 0 C-N-CA 120.532 -0.842 . . . . 0.0 113.328 -176.804 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 74.27 -74.59 1.23 Allowed Glycine 0 N--CA 1.45 -0.417 0 N-CA-C 112.009 -0.437 . . . . 0.0 112.009 -178.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -117.34 -25.74 6.94 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.135 0.493 . . . . 0.0 110.314 179.583 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 15.4 m -71.15 -14.39 62.26 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.675 -178.562 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -90.5 -16.57 28.65 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.09 -178.028 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.643 HD11 HG11 ' B' ' 88' ' ' VAL . 27.5 mt -56.47 -58.35 17.51 Favored Pre-proline 0 C--N 1.327 -0.406 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.875 -176.415 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.418 ' HD2' ' N ' ' A' ' 54' ' ' LEU . 18.7 Cg_endo -60.48 -24.81 79.02 Favored 'Trans proline' 0 C--N 1.354 0.833 0 C-N-CA 122.156 1.904 . . . . 0.0 112.26 -177.376 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 16.6 m -83.84 -44.59 14.16 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.882 -179.478 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 53.0 t -74.13 -39.26 50.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.099 -175.082 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.505 HG12 ' HG ' ' A' ' 83' ' ' LEU . 63.7 mt -60.68 -36.58 71.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.174 176.091 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 5.5 t -70.1 -36.0 74.55 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.302 -0.408 . . . . 0.0 109.928 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 89.0 m-20 -63.75 -48.87 75.25 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.6 178.269 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 64.8 mt -74.08 -48.47 37.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.746 -176.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.5 ' O ' HG23 ' A' ' 66' ' ' VAL . 54.5 t80 -53.05 -52.56 58.11 Favored 'General case' 0 N--CA 1.466 0.36 0 N-CA-C 111.505 0.187 . . . . 0.0 111.505 -177.299 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 29.5 t -62.09 -31.34 71.77 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.867 0.365 . . . . 0.0 110.392 -179.05 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -71.33 -41.07 59.73 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.792 -0.718 . . . . 0.0 111.401 178.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.613 HG12 HG11 ' A' ' 70' ' ' VAL . 71.5 t -65.58 -47.42 86.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-O 120.937 0.398 . . . . 0.0 110.857 177.724 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.5 HG23 ' O ' ' A' ' 62' ' ' TYR . 76.3 t -62.09 -34.45 63.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.715 -178.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -68.92 -8.34 43.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.832 179.713 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 36.2 t -79.54 -21.34 45.29 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.982 0.42 . . . . 0.0 110.287 177.442 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 101.25 14.13 31.47 Favored Glycine 0 N--CA 1.453 -0.209 0 C-N-CA 120.659 -0.781 . . . . 0.0 112.184 -178.403 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.613 HG11 HG12 ' A' ' 65' ' ' VAL . 15.0 p -71.43 157.31 6.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 N-CA-C 110.184 -0.302 . . . . 0.0 110.184 178.061 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 33.7 t -59.07 136.37 57.93 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 174.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 14.5 m -50.71 -46.91 59.19 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 112.665 0.617 . . . . 0.0 112.665 -173.664 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -77.63 -30.94 52.49 Favored 'General case' 0 C--N 1.329 -0.326 0 C-N-CA 120.935 -0.306 . . . . 0.0 110.607 -175.604 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.563 ' HA ' ' CE1' ' A' ' 23' ' ' TYR . 34.7 tt0 -69.48 -29.63 67.33 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-O 121.128 0.489 . . . . 0.0 110.049 178.204 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.469 ' HB2' HG13 ' A' ' 70' ' ' VAL . . . -60.36 -35.1 74.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.503 -0.771 . . . . 0.0 111.274 178.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.506 HD23 ' HB3' ' A' ' 118' ' ' TYR . 2.9 tm? -55.86 -52.05 65.41 Favored 'General case' 0 CA--C 1.517 -0.321 0 CA-C-O 120.999 0.428 . . . . 0.0 109.891 178.154 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.699 ' O ' ' HG ' ' A' ' 81' ' ' LEU . 39.2 mm -60.42 -54.61 32.63 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.789 -177.598 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . 0.469 ' HB2' ' HB1' ' A' ' 26' ' ' ALA . 24.2 tt0 -57.22 -46.68 82.73 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.628 0.252 . . . . 0.0 111.203 179.855 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.57 -39.2 87.12 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.834 -179.703 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.559 ' O ' HD23 ' A' ' 84' ' ' LEU . 2.7 mm? -67.47 -37.5 83.0 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.985 176.206 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.716 ' HB3' HD11 ' A' ' 30' ' ' LEU . 76.5 mt -69.65 -38.75 77.25 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.802 0.334 . . . . 0.0 111.25 -178.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -72.36 -12.36 61.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.399 0.619 . . . . 0.0 110.593 174.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.505 ' HG ' HG12 ' A' ' 58' ' ' ILE . 3.4 tm? -89.24 -44.95 9.9 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.469 175.622 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.559 HD23 ' O ' ' A' ' 80' ' ' LEU . 4.0 mm? -66.27 -12.3 55.59 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.45 -0.796 . . . . 0.0 111.991 -178.488 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.7 p -93.6 -29.72 15.33 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 120.807 0.337 . . . . 0.0 111.106 -177.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -68.69 -47.0 67.56 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.314 0.578 . . . . 0.0 110.833 -179.203 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.554 HD12 ' N ' ' A' ' 88' ' ' VAL . 1.6 pp -76.07 -25.77 55.88 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 113.034 0.753 . . . . 0.0 113.034 -172.013 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.554 ' N ' HD12 ' A' ' 87' ' ' LEU . 16.4 m -83.95 -23.71 7.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 C-N-CA 120.113 -0.635 . . . . 0.0 110.68 177.8 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 73.7 t60 -67.74 -40.16 84.17 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.233 178.028 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.496 HG22 ' O ' ' A' ' 87' ' ' LEU . 21.9 m -66.4 -26.09 36.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.502 -174.455 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.594 ' HA ' ' HB3' ' A' ' 94' ' ' ALA . 3.0 mm? -65.01 -20.08 66.32 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.221 179.227 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 22.2 t -64.91 -25.56 67.94 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.83 0.348 . . . . 0.0 110.807 -179.173 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 7.7 t -122.78 3.28 9.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.398 0.618 . . . . 0.0 110.178 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.594 ' HB3' ' HA ' ' A' ' 91' ' ' LEU . . . -94.89 100.47 12.33 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.185 177.818 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 8.9 t -77.12 89.63 3.63 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.186 0.517 . . . . 0.0 109.894 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.806 HD13 ' HB1' ' B' ' 47' ' ' ALA . 16.8 tt -69.67 143.49 14.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.488 -178.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -92.93 -112.29 2.08 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.889 -0.672 . . . . 0.0 112.281 178.523 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -122.84 112.35 17.77 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.983 0.42 . . . . 0.0 110.612 -178.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.569 HG12 ' HB2' ' B' ' 93' ' ' SER . 11.5 m -90.54 153.09 3.25 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.957 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 43.9 t -113.42 153.4 28.67 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 178.329 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 24.4 p -78.84 -9.58 59.52 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.395 0.617 . . . . 0.0 110.28 178.229 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 43.6 t -78.12 103.34 5.08 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.431 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.918 -176.435 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 130.54 -14.14 5.59 Favored Glycine 0 N--CA 1.447 -0.597 0 C-N-CA 120.555 -0.831 . . . . 0.0 113.091 175.281 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.451 ' O ' HD12 ' A' ' 108' ' ' LEU . 16.6 t -58.43 -35.02 52.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 176.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -52.07 -44.52 64.36 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 114.997 -1.001 . . . . 0.0 110.402 177.497 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 11.2 m -85.64 -27.65 25.27 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.418 -0.81 . . . . 0.0 111.117 -177.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 29.7 m -64.61 -34.01 77.26 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-O 121.294 0.569 . . . . 0.0 109.938 178.137 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.559 ' O ' ' HG3' ' A' ' 112' ' ' GLN . 1.5 mt -59.88 -30.19 68.83 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.406 -0.816 . . . . 0.0 110.956 175.152 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . 0.505 HD22 ' N ' ' A' ' 109' ' ' ASN . 0.8 OUTLIER -71.61 -16.1 62.27 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.998 0.428 . . . . 0.0 110.792 179.537 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 29.5 t -94.28 -36.54 7.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.827 -179.04 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.52 HG12 ' O ' ' A' ' 108' ' ' LEU . 8.6 p -63.69 -29.54 47.54 Favored 'Isoleucine or valine' 0 C--O 1.235 0.299 0 CA-C-O 121.37 0.605 . . . . 0.0 110.317 179.559 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . 0.559 ' HG3' ' O ' ' A' ' 108' ' ' LEU . 25.2 mt-30 -67.22 -22.04 65.73 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.475 179.107 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -86.58 -20.08 28.44 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.408 -177.163 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 13.7 m -88.72 -32.69 17.82 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.001 -0.545 . . . . 0.0 112.03 -173.144 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.65 HG11 HD22 ' B' ' 81' ' ' LEU . 11.4 p -120.79 -21.02 4.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 N-CA-C 112.15 0.426 . . . . 0.0 112.15 -173.48 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -54.92 -32.47 55.97 Favored Glycine 0 C--N 1.331 0.262 0 C-N-CA 121.432 -0.413 . . . . 0.0 113.441 -176.389 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . 0.402 HE21 ' HB2' ' A' ' 117' ' ' GLN . 0.0 OUTLIER -81.03 -4.26 54.57 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 111.962 0.356 . . . . 0.0 111.962 -178.314 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . 0.506 ' HB3' HD23 ' A' ' 76' ' ' LEU . 97.6 m-85 -108.5 -30.03 8.48 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.965 0.412 . . . . 0.0 110.09 178.712 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.474 ' O ' ' HB3' ' B' ' 22' ' ' SER . 35.4 m . . . . . 0 C--N 1.326 -0.423 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.99 174.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 22' ' ' SER . . . . . 0.474 ' HB3' ' O ' ' A' ' 119' ' ' VAL . 4.6 m . . . . . 0 N--CA 1.445 -0.679 0 CA-C-O 120.759 0.314 . . . . 0.0 110.378 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -146.86 116.85 7.26 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.08 -179.281 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -76.66 -26.72 55.13 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.396 -177.701 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.65 -27.78 72.39 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.608 -177.459 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 26' ' ' ALA . . . . . 0.501 ' HB1' ' HB2' ' B' ' 78' ' ' GLN . . . -68.86 -19.05 64.23 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.381 0.61 . . . . 0.0 109.938 177.696 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 27' ' ' VAL . . . . . 0.514 HG22 ' CD1' ' B' ' 81' ' ' LEU . 2.5 t -93.65 -40.72 11.99 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 115.179 -0.919 . . . . 0.0 109.986 179.628 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 65.4 m-20 -74.02 -8.0 54.51 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.523 -0.762 . . . . 0.0 111.653 -172.696 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 29' ' ' ARG . . . . . 0.426 HH11 ' HD2' ' B' ' 29' ' ' ARG . 6.5 ptp180 -98.61 4.57 48.07 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.845 0.355 . . . . 0.0 110.688 179.46 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 90.1 mt -79.46 -12.87 59.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.291 -177.202 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 14.0 p -78.14 -2.94 39.96 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.53 179.081 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 26.8 t -77.75 141.45 39.27 Favored 'General case' 0 N--CA 1.448 -0.567 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.669 177.284 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.68 -21.78 61.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.176 -179.52 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -55.97 -45.05 79.05 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.448 177.705 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 35' ' ' ALA . . . . . 0.708 ' O ' HG23 ' B' ' 39' ' ' VAL . . . -63.13 -52.49 62.35 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.811 -0.631 . . . . 0.0 109.769 175.607 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -51.76 -37.52 51.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.623 -177.188 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 39.4 m -69.35 -21.81 63.79 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.218 -0.446 . . . . 0.0 112.0 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 38' ' ' ARG . . . . . 0.465 ' HD2' ' OE1' ' B' ' 82' ' ' GLU . 91.8 mtt180 -93.04 -53.05 4.3 Favored 'General case' 0 CA--C 1.511 -0.532 0 CA-C-O 121.896 0.855 . . . . 0.0 108.719 179.722 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 39' ' ' VAL . . . . . 0.708 HG23 ' O ' ' B' ' 35' ' ' ALA . 16.2 t -60.34 -34.83 59.01 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-N 113.682 -1.599 . . . . 0.0 111.53 -174.683 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 84.6 p -74.37 -10.55 59.69 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-O 121.1 0.476 . . . . 0.0 110.986 179.671 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 45.7 t -95.07 -7.9 38.18 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.707 0.765 . . . . 0.0 109.257 176.626 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 11.6 m120 -100.31 -25.39 14.26 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.366 -0.834 . . . . 0.0 109.784 -176.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 43' ' ' ILE . . . . . 0.562 HG13 ' N ' ' B' ' 44' ' ' ALA . 4.6 pt -58.34 -42.44 83.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.505 -0.77 . . . . 0.0 111.383 -178.398 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 44' ' ' ALA . . . . . 0.562 ' N ' HG13 ' B' ' 43' ' ' ILE . . . -78.62 -16.67 57.1 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.161 0.505 . . . . 0.0 110.895 -176.857 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -83.53 -52.7 6.26 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.824 -179.611 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 53.3 mt -67.15 -32.8 59.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.602 -178.711 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . 0.806 ' HB1' HD13 ' A' ' 96' ' ' ILE . . . -61.96 -23.34 66.32 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.264 178.176 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 32.3 m -97.91 -40.64 8.4 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.435 -175.744 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -95.31 -21.6 24.37 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.538 -0.839 . . . . 0.0 113.364 -176.091 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 71.34 -78.4 0.57 Allowed Glycine 0 N--CA 1.45 -0.423 0 N-CA-C 111.513 -0.635 . . . . 0.0 111.513 -178.405 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -117.0 -19.26 9.86 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-O 121.305 0.574 . . . . 0.0 109.754 178.27 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 4.6 m -72.31 -13.98 61.63 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.623 -177.582 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -95.69 -14.98 22.98 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.707 -0.678 . . . . 0.0 111.044 -177.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 54' ' ' LEU . . . . . 0.55 HD11 HG11 ' A' ' 88' ' ' VAL . 49.8 mt -53.88 -58.71 12.14 Favored Pre-proline 0 CA--C 1.531 0.244 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.787 -176.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 55' ' ' PRO . . . . . 0.414 ' HD2' ' N ' ' B' ' 54' ' ' LEU . 28.1 Cg_endo -62.79 -23.02 74.36 Favored 'Trans proline' 0 C--N 1.351 0.7 0 C-N-CA 121.934 1.756 . . . . 0.0 112.221 -176.131 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 6.2 m -84.94 -41.57 15.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.192 0.52 . . . . 0.0 110.794 -178.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 78.6 t -78.03 -39.26 25.18 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.395 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.263 -174.382 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 58' ' ' ILE . . . . . 0.471 HG12 HD22 ' B' ' 83' ' ' LEU . 64.8 mt -56.24 -41.77 71.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.287 175.283 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 8.1 t -65.44 -38.85 91.09 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.884 -178.112 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 95.2 m-20 -63.03 -55.05 28.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.637 178.67 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . 0.443 ' O ' HG23 ' B' ' 65' ' ' VAL . 57.5 mt -65.01 -47.83 86.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.551 -0.749 . . . . 0.0 111.477 -176.417 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 62' ' ' TYR . . . . . 0.419 ' O ' HG23 ' B' ' 66' ' ' VAL . 46.0 t80 -56.48 -47.88 78.29 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.631 -0.259 . . . . 0.0 110.6 -177.173 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 32.1 t -62.56 -31.29 72.06 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.453 179.078 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -72.58 -40.89 52.75 Favored Glycine 0 N--CA 1.453 -0.197 0 C-N-CA 120.784 -0.722 . . . . 0.0 111.683 178.303 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 65' ' ' VAL . . . . . 0.734 HG12 HG11 ' B' ' 70' ' ' VAL . 96.4 t -65.97 -46.8 87.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-O 120.977 0.417 . . . . 0.0 110.984 178.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 66' ' ' VAL . . . . . 0.419 HG23 ' O ' ' B' ' 62' ' ' TYR . 79.7 t -65.38 -31.57 54.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 121.056 0.455 . . . . 0.0 110.794 179.788 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -74.09 -5.63 42.74 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.414 177.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 20.3 t -89.96 -10.75 43.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.339 179.6 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 88.4 36.73 7.93 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.373 179.69 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . 0.734 HG11 HG12 ' B' ' 65' ' ' VAL . 13.3 p -87.3 163.57 2.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 N-CA-C 110.201 -0.296 . . . . 0.0 110.201 178.067 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 71' ' ' SER . . . . . 0.416 ' N ' HG22 ' B' ' 70' ' ' VAL . 17.4 t -67.57 148.31 51.6 Favored 'General case' 0 CA--C 1.531 0.229 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 175.744 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 48.0 m -53.01 -55.06 26.47 Favored 'General case' 0 CA--C 1.534 0.34 0 N-CA-C 113.01 0.744 . . . . 0.0 113.01 -172.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -78.11 -26.61 48.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.929 0.395 . . . . 0.0 110.553 -174.876 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -72.31 -26.57 62.0 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.991 0.424 . . . . 0.0 110.482 -179.485 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . 0.419 ' HB2' HG13 ' B' ' 70' ' ' VAL . . . -58.7 -42.1 87.81 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.722 179.698 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -55.25 -48.04 74.55 Favored 'General case' 0 N--CA 1.463 0.195 0 O-C-N 123.236 0.335 . . . . 0.0 110.23 -179.622 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 77' ' ' ILE . . . . . 0.715 ' O ' ' HG ' ' B' ' 81' ' ' LEU . 42.1 mm -61.65 -56.52 17.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.964 -177.451 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 78' ' ' GLN . . . . . 0.501 ' HB2' ' HB1' ' B' ' 26' ' ' ALA . 30.3 tt0 -57.39 -44.74 84.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.543 -0.298 . . . . 0.0 110.974 -179.819 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -59.78 -40.91 89.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.962 0.41 . . . . 0.0 110.888 179.628 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 80' ' ' LEU . . . . . 0.632 ' O ' HD23 ' B' ' 84' ' ' LEU . 2.4 mm? -67.15 -36.03 80.95 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.228 177.716 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . 0.715 ' HG ' ' O ' ' B' ' 77' ' ' ILE . 33.4 mt -76.18 -34.47 59.33 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 120.754 0.311 . . . . 0.0 111.619 -175.332 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 82' ' ' GLU . . . . . 0.465 ' OE1' ' HD2' ' B' ' 38' ' ' ARG . 61.2 mt-10 -67.9 -17.75 64.57 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.335 0.588 . . . . 0.0 110.314 172.5 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 83' ' ' LEU . . . . . 0.471 HD22 HG12 ' B' ' 58' ' ' ILE . 50.9 tp -84.69 -44.63 13.23 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.596 174.104 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 84' ' ' LEU . . . . . 0.632 HD23 ' O ' ' B' ' 80' ' ' LEU . 3.8 mm? -67.51 -5.07 13.45 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.566 -0.743 . . . . 0.0 112.124 -177.051 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 1.4 p -99.62 -23.39 15.07 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 120.79 0.329 . . . . 0.0 110.655 177.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 86' ' ' ALA . . . . . 0.402 ' HB2' HG13 ' B' ' 39' ' ' VAL . . . -77.84 -47.88 17.77 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-O 121.184 0.516 . . . . 0.0 110.534 -178.739 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 87' ' ' LEU . . . . . 0.482 HD12 HG13 ' B' ' 88' ' ' VAL . 1.5 pp -72.21 -20.24 61.6 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.512 -0.767 . . . . 0.0 112.914 -172.244 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 88' ' ' VAL . . . . . 0.643 HG11 HD11 ' A' ' 54' ' ' LEU . 14.1 m -90.95 -20.81 6.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 C-N-CA 120.468 -0.493 . . . . 0.0 110.867 176.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 89' ' ' HIS . . . . . . . . . . . . . 69.7 t60 -71.51 -32.43 68.18 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.065 178.393 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 90' ' ' VAL . . . . . 0.469 HG22 ' O ' ' B' ' 87' ' ' LEU . 10.5 m -65.7 -25.55 36.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.12 -177.179 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 91' ' ' LEU . . . . . 0.649 ' HA ' ' HB3' ' B' ' 94' ' ' ALA . 3.7 mm? -64.01 -24.16 67.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.4 -0.363 . . . . 0.0 110.826 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 47.5 t -57.54 -30.03 64.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.878 178.647 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 93' ' ' SER . . . . . 0.569 ' HB2' HG12 ' A' ' 99' ' ' VAL . 15.2 m -123.19 15.45 9.82 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-O 121.26 0.552 . . . . 0.0 110.656 -179.831 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 94' ' ' ALA . . . . . 0.649 ' HB3' ' HA ' ' B' ' 91' ' ' LEU . . . -111.31 95.05 5.29 Favored 'General case' 0 N--CA 1.447 -0.601 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.582 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 15.3 t -76.39 87.5 3.16 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.562 178.569 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 96' ' ' ILE . . . . . 0.661 HD13 ' HB1' ' A' ' 47' ' ' ALA . 16.6 tt -66.07 140.21 19.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.889 -179.295 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 97' ' ' GLY . . . . . . . . . . . . . . . -93.74 -89.06 1.63 Allowed Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.611 -0.804 . . . . 0.0 112.9 -177.808 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 98' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -137.57 119.58 15.42 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.646 0.26 . . . . 0.0 110.726 -177.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 99' ' ' VAL . . . . . 0.461 ' CG1' HD11 ' B' ' 96' ' ' ILE . 5.6 m -109.97 141.36 25.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.822 179.235 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 100' ' ' SER . . . . . . . . . . . . . 43.3 t -108.2 156.7 19.04 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.917 -179.343 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 101' ' ' SER . . . . . 0.408 ' HB3' ' HB2' ' A' ' 40' ' ' SER . 24.7 m -78.0 -10.15 59.46 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.19 0.519 . . . . 0.0 110.447 178.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 43.1 t -82.34 102.25 8.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.328 -175.809 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . 132.13 -9.56 5.39 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.612 -0.804 . . . . 0.0 113.132 175.181 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 104' ' ' VAL . . . . . . . . . . . . . 21.9 t -59.78 -32.64 50.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 177.306 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -48.52 -49.23 36.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.012 -0.995 . . . . 0.0 110.282 173.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 15.4 m -72.87 -38.69 66.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.295 -0.866 . . . . 0.0 111.23 -177.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 17.3 m -63.46 -29.04 70.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.519 0.676 . . . . 0.0 110.714 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 108' ' ' LEU . . . . . 0.501 HD21 HG21 ' A' ' 39' ' ' VAL . 5.5 mt -69.26 -23.24 63.82 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.329 177.841 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 109' ' ' ASN . . . . . 0.416 ' N ' HD22 ' B' ' 109' ' ' ASN . 0.9 OUTLIER -74.05 -30.6 62.49 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.759 0.314 . . . . 0.0 111.105 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 110' ' ' VAL . . . . . . . . . . . . . 8.9 p -89.22 -29.42 5.16 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.276 0 N-CA-C 111.868 0.321 . . . . 0.0 111.868 -176.196 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 111' ' ' VAL . . . . . 0.409 HG12 ' O ' ' B' ' 108' ' ' LEU . 12.2 p -63.48 -30.56 50.13 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.269 0 CA-C-O 121.358 0.599 . . . . 0.0 110.186 178.265 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 112' ' ' GLN . . . . . 0.495 ' HG3' ' O ' ' B' ' 108' ' ' LEU . 27.2 mt-30 -65.56 -27.31 68.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.448 -0.797 . . . . 0.0 111.054 179.504 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 113' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -80.73 -24.28 38.86 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.958 -172.397 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 7.0 m -86.79 -35.81 18.92 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.698 -0.683 . . . . 0.0 112.079 -171.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 115' ' ' VAL . . . . . . . . . . . . . 13.3 p -122.79 -18.07 4.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 N-CA-C 112.018 0.377 . . . . 0.0 112.018 -172.653 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 116' ' ' GLY . . . . . 0.492 ' HA2' HG21 ' A' ' 27' ' ' VAL . . . -61.66 -25.52 65.58 Favored Glycine 0 C--O 1.228 -0.266 0 C-N-CA 121.089 -0.576 . . . . 0.0 113.073 -175.322 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 117' ' ' GLN . . . . . 0.439 HE21 ' HB2' ' B' ' 117' ' ' GLN . 0.0 OUTLIER -88.15 -5.82 58.22 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.847 0.356 . . . . 0.0 111.592 -179.48 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 118' ' ' TYR . . . . . . . . . . . . . 80.8 m-85 -97.54 -30.67 12.74 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.086 0.469 . . . . 0.0 109.774 177.396 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 119' ' ' VAL . . . . . 0.454 ' O ' ' HB3' ' A' ' 22' ' ' SER . 34.0 m -89.75 -0.99 9.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.36 178.181 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.978 0 CA-C-O 118.5 -1.167 . . . . 0.0 111.863 178.823 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 17.0 m . . . . . 0 N--CA 1.455 -0.193 0 CA-C-O 120.63 0.252 . . . . 0.0 111.538 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.604 ' CE1' ' HA ' ' A' ' 74' ' ' GLU . 0.0 OUTLIER -156.26 121.41 4.73 Favored 'General case' 0 CA--C 1.52 -0.177 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 179.914 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -83.85 -21.13 32.13 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-O 120.934 0.397 . . . . 0.0 111.633 179.702 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.409 ' HA2' HD22 ' A' ' 28' ' ' ASN . . . -66.85 -29.08 74.14 Favored Glycine 0 CA--C 1.51 -0.247 0 C-N-CA 121.349 -0.453 . . . . 0.0 112.072 -176.773 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.523 ' HB1' ' HB2' ' A' ' 78' ' ' GLN . . . -68.81 -15.28 63.46 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.109 0.48 . . . . 0.0 110.031 178.219 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.462 HG22 HD11 ' A' ' 81' ' ' LEU . 3.5 t -95.15 -44.82 13.3 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.318 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.872 -176.678 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.409 HD22 ' HA2' ' A' ' 25' ' ' GLY . 37.4 m-80 -64.83 -25.62 67.98 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-O 120.855 0.359 . . . . 0.0 111.542 -176.223 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 2.0 ptm180 -81.54 3.59 24.42 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.554 -175.177 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.533 HD11 ' HB3' ' A' ' 81' ' ' LEU . 82.9 mt -80.94 -17.74 49.46 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.235 -178.168 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 13.4 p -79.46 5.01 13.88 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.038 0.447 . . . . 0.0 111.068 -177.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 33.7 t -96.26 158.28 15.51 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.057 177.379 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -58.77 -21.15 55.11 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 121.084 0.468 . . . . 0.0 111.376 -179.499 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -48.83 -58.46 4.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 114.996 -1.002 . . . . 0.0 110.992 178.177 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.65 ' O ' HG23 ' A' ' 39' ' ' VAL . . . -68.63 -50.62 49.98 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.384 -0.825 . . . . 0.0 110.724 179.8 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -47.35 -39.94 16.19 Favored 'General case' 0 N--CA 1.465 0.288 0 O-C-N 123.399 0.437 . . . . 0.0 111.96 -176.301 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 60.7 m -71.91 -26.65 62.4 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.981 -178.435 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.413 HH11 ' HD3' ' A' ' 38' ' ' ARG . 20.3 mtm180 -92.03 -40.77 10.9 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.675 0.75 . . . . 0.0 109.463 -177.17 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.65 HG23 ' O ' ' A' ' 35' ' ' ALA . 40.4 t -64.05 -46.25 94.32 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.926 0 CA-C-N 114.425 -1.262 . . . . 0.0 110.491 179.11 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.507 ' HA ' HG23 ' A' ' 43' ' ' ILE . 33.1 t -75.63 -9.89 58.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.301 -178.761 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 32.5 t -82.85 -7.74 59.63 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 177.667 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 47.9 m-80 -124.85 0.13 8.0 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.717 -178.174 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.507 HG23 ' HA ' ' A' ' 40' ' ' SER . 2.3 pt -63.07 -38.38 81.89 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 CA-C-O 120.924 0.393 . . . . 0.0 110.706 177.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.414 ' N ' HG13 ' A' ' 43' ' ' ILE . . . -78.3 -7.97 57.85 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.031 -179.737 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -90.23 -55.76 3.48 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.644 -178.809 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.452 HG21 ' HB3' ' A' ' 87' ' ' LEU . 45.8 mt -64.03 -33.6 63.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.604 -178.641 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.629 ' HB1' HD13 ' B' ' 96' ' ' ILE . . . -63.7 -23.68 67.47 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.645 -178.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 22.8 t -98.41 -24.27 15.25 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.936 -0.574 . . . . 0.0 111.063 -177.417 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -103.28 -28.2 6.2 Favored Glycine 0 N--CA 1.453 -0.192 0 C-N-CA 120.475 -0.869 . . . . 0.0 113.227 -175.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 75.14 -76.5 1.24 Allowed Glycine 0 N--CA 1.448 -0.566 0 N-CA-C 110.905 -0.878 . . . . 0.0 110.905 -177.649 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -121.79 -22.2 5.86 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-O 121.134 0.492 . . . . 0.0 110.385 178.226 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 4.4 m -70.87 -12.72 61.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.674 -177.405 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -96.0 -13.35 23.85 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.035 -178.645 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.428 ' N ' ' HD2' ' A' ' 55' ' ' PRO . 47.1 mt -55.01 -57.85 17.56 Favored Pre-proline 0 CA--C 1.535 0.387 0 N-CA-C 111.964 0.357 . . . . 0.0 111.964 -177.245 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.428 ' HD2' ' N ' ' A' ' 54' ' ' LEU . 20.2 Cg_endo -62.23 -23.6 75.49 Favored 'Trans proline' 0 C--N 1.353 0.786 0 C-N-CA 122.141 1.894 . . . . 0.0 112.307 -177.592 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 10.0 m -84.02 -43.93 14.65 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.791 -179.409 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 64.5 t -76.54 -39.45 32.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.379 -173.716 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.44 HG12 ' HG ' ' A' ' 83' ' ' LEU . 62.6 mt -62.21 -39.67 84.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.248 176.18 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 21.1 t -68.05 -31.28 70.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.043 0.449 . . . . 0.0 110.193 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 90.0 m-20 -66.8 -55.65 13.96 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.797 176.335 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.454 ' O ' HG23 ' A' ' 65' ' ' VAL . 59.9 mt -68.55 -46.57 79.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.814 -175.15 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.544 ' O ' HG23 ' A' ' 66' ' ' VAL . 51.6 t80 -55.49 -54.5 43.14 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.804 0.335 . . . . 0.0 110.564 -177.027 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 16.5 m -61.23 -32.52 72.3 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.844 -179.585 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -69.41 -36.57 78.06 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.813 -0.708 . . . . 0.0 111.924 179.337 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.671 HG12 HG11 ' A' ' 70' ' ' VAL . 93.9 t -73.99 -42.24 52.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-O 120.66 0.267 . . . . 0.0 110.522 177.752 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.544 HG23 ' O ' ' A' ' 62' ' ' TYR . 87.1 t -60.16 -35.95 64.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.954 0.406 . . . . 0.0 110.969 179.774 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -72.11 -2.28 17.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.902 179.237 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 28.0 t -91.83 -1.46 57.33 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.697 0.284 . . . . 0.0 110.843 179.568 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 83.12 29.97 32.52 Favored Glycine 0 C--N 1.33 0.23 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.111 179.509 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.671 HG11 HG12 ' A' ' 65' ' ' VAL . 10.7 p -84.88 162.27 2.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 N-CA-C 110.08 -0.341 . . . . 0.0 110.08 -179.161 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 19.7 m -68.49 146.75 52.86 Favored 'General case' 0 N--CA 1.447 -0.577 0 N-CA-C 110.129 -0.323 . . . . 0.0 110.129 175.613 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 21.7 p -49.69 -67.36 0.27 Allowed 'General case' 0 CA--C 1.534 0.327 0 N-CA-C 113.337 0.866 . . . . 0.0 113.337 -173.038 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -73.73 -16.41 61.18 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.21 0.528 . . . . 0.0 110.747 -175.786 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.604 ' HA ' ' CE1' ' A' ' 23' ' ' TYR . 36.5 tt0 -73.41 -31.86 64.09 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 177.674 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.421 ' HB2' ' CG1' ' A' ' 70' ' ' VAL . . . -61.56 -36.33 80.32 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 115.203 -0.908 . . . . 0.0 110.768 176.388 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.58 HD23 ' HB3' ' A' ' 118' ' ' TYR . 2.7 tm? -56.2 -54.09 49.35 Favored 'General case' 0 CA--C 1.517 -0.317 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 177.789 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.754 ' O ' ' HG ' ' A' ' 81' ' ' LEU . 35.2 mm -59.86 -55.08 26.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.953 -177.866 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . 0.523 ' HB2' ' HB1' ' A' ' 26' ' ' ALA . 26.7 tt0 -57.08 -46.64 82.36 Favored 'General case' 0 C--O 1.233 0.217 0 C-N-CA 121.226 -0.19 . . . . 0.0 111.441 -179.271 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.96 -41.29 96.06 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.798 0.332 . . . . 0.0 110.615 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.554 ' O ' HD23 ' A' ' 84' ' ' LEU . 2.6 mm? -64.02 -41.67 97.36 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.024 177.528 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.754 ' HG ' ' O ' ' A' ' 77' ' ' ILE . 47.6 mt -61.93 -47.09 86.44 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.819 0.343 . . . . 0.0 110.863 -179.546 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 53.1 mt-10 -65.12 -36.72 85.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.734 178.133 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.44 ' HG ' HG12 ' A' ' 58' ' ' ILE . 3.5 tm? -61.7 -44.51 96.79 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.007 176.14 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.554 HD23 ' O ' ' A' ' 80' ' ' LEU . 3.8 mm? -68.18 -7.15 27.61 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.644 -0.707 . . . . 0.0 112.147 -177.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 35.6 m -97.78 -31.34 12.29 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.02 0.438 . . . . 0.0 111.108 -177.23 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -71.21 -46.48 61.12 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.278 0.561 . . . . 0.0 110.988 -176.643 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.452 ' HB3' HG21 ' A' ' 46' ' ' ILE . 0.9 OUTLIER -77.42 -16.08 59.0 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 113.115 0.783 . . . . 0.0 113.115 -171.796 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.436 ' N ' HD12 ' A' ' 87' ' ' LEU . 16.9 m -93.58 -22.31 5.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 C-N-CA 120.314 -0.554 . . . . 0.0 110.843 176.887 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . 0.41 ' CD2' HG22 ' B' ' 104' ' ' VAL . 79.8 t60 -70.84 -34.47 71.7 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-O 120.872 0.367 . . . . 0.0 110.086 177.691 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.414 ' HA ' HG11 ' B' ' 99' ' ' VAL . 25.9 m -64.15 -27.87 43.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.214 -175.638 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.598 ' HA ' ' HB3' ' A' ' 94' ' ' ALA . 4.0 mm? -63.64 -24.83 67.95 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.352 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 26.1 t -59.71 -31.76 69.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.024 0.44 . . . . 0.0 110.56 179.148 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . 0.67 ' HB2' HG12 ' B' ' 99' ' ' VAL . 75.5 m -112.36 -10.4 13.78 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.644 0.735 . . . . 0.0 110.564 -177.595 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.598 ' HB3' ' HA ' ' A' ' 91' ' ' LEU . . . -89.47 90.03 8.11 Favored 'General case' 0 C--N 1.313 -0.992 0 CA-C-N 115.147 -0.933 . . . . 0.0 110.627 -179.8 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 12.9 m -65.83 93.92 0.2 Allowed 'General case' 0 N--CA 1.428 -1.543 0 CA-C-N 115.419 -0.81 . . . . 0.0 110.248 176.258 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.693 HD13 ' HB1' ' B' ' 47' ' ' ALA . 20.6 tt -76.09 148.29 7.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.702 -175.859 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -91.56 -108.21 1.56 Allowed Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.98 -0.629 . . . . 0.0 112.032 178.112 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 10.8 t30 -130.84 111.88 12.51 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.107 0.479 . . . . 0.0 110.259 179.343 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.547 ' CG1' HD11 ' A' ' 96' ' ' ILE . 5.7 m -86.35 138.29 19.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 115.604 -0.725 . . . . 0.0 111.157 -178.433 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 18.4 m -91.61 154.21 19.2 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.224 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 5.9 m -86.46 3.94 41.79 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.279 0.561 . . . . 0.0 110.65 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 40.4 t -106.16 112.29 38.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.645 -175.552 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 129.92 -14.17 5.74 Favored Glycine 0 N--CA 1.449 -0.45 0 CA-C-N 115.855 -0.611 . . . . 0.0 112.495 177.145 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 19.2 t -59.27 -33.41 50.79 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.271 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 176.719 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -51.69 -43.37 62.74 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 114.968 -1.015 . . . . 0.0 110.577 175.414 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 20.0 m -80.82 -35.74 32.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.56 -177.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 24.1 m -61.88 -32.43 72.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.399 0.619 . . . . 0.0 110.517 179.571 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.55 HD21 HG21 ' B' ' 39' ' ' VAL . 3.3 mt -64.31 -26.29 68.42 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.683 -0.689 . . . . 0.0 111.777 176.362 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . 0.475 HD22 ' N ' ' A' ' 109' ' ' ASN . 0.9 OUTLIER -73.43 -32.17 64.25 Favored 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 121.006 -0.278 . . . . 0.0 111.046 -177.322 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 8.7 p -87.28 -28.69 5.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 N-CA-C 111.781 0.289 . . . . 0.0 111.781 -175.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.531 HG12 ' O ' ' A' ' 108' ' ' LEU . 7.9 p -63.14 -30.02 48.66 Favored 'Isoleucine or valine' 0 C--O 1.234 0.247 0 CA-C-O 121.532 0.682 . . . . 0.0 109.992 177.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . 0.521 ' HG2' HG12 ' B' ' 27' ' ' VAL . 26.5 mt-30 -64.38 -32.43 74.04 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.125 -0.943 . . . . 0.0 111.48 -178.223 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -70.95 -34.42 71.44 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.969 -177.109 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 6.0 m -78.55 -34.93 46.7 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.541 -0.754 . . . . 0.0 112.239 -171.521 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.654 HG11 HD22 ' B' ' 81' ' ' LEU . 7.6 p -113.19 -25.15 3.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 N-CA-C 111.844 0.312 . . . . 0.0 111.844 -173.836 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -59.21 -26.07 60.92 Favored Glycine 0 C--N 1.33 0.221 0 C-N-CA 121.21 -0.519 . . . . 0.0 112.776 -176.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.75 2.22 34.94 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 111.699 0.259 . . . . 0.0 111.699 -178.295 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . 0.58 ' HB3' HD23 ' A' ' 76' ' ' LEU . 74.7 m-85 -114.81 -34.51 5.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.735 0.302 . . . . 0.0 110.655 177.498 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.406 HG21 HG21 ' B' ' 27' ' ' VAL . 33.8 m . . . . . 0 C--N 1.327 -0.375 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.429 178.565 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 3.5 m . . . . . 0 N--CA 1.449 -0.493 0 CA-C-O 120.997 0.427 . . . . 0.0 111.831 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -148.14 121.53 9.05 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 175.739 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -76.94 -31.25 56.49 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 121.16 0.505 . . . . 0.0 111.235 -178.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 25' ' ' GLY . . . . . 0.411 ' HA2' HD22 ' B' ' 28' ' ' ASN . . . -66.23 -23.45 71.55 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.984 -0.627 . . . . 0.0 112.956 -177.523 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 26' ' ' ALA . . . . . 0.463 ' HB1' ' HB2' ' B' ' 78' ' ' GLN . . . -72.26 -12.56 61.21 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.448 0.642 . . . . 0.0 109.649 176.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 27' ' ' VAL . . . . . 0.536 HG22 ' CD1' ' B' ' 81' ' ' LEU . 3.5 t -98.55 -44.47 12.13 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.559 0 CA-C-N 114.894 -1.048 . . . . 0.0 110.084 178.322 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 28' ' ' ASN . . . . . 0.411 HD22 ' HA2' ' B' ' 25' ' ' GLY . 64.0 m-80 -62.85 -27.27 69.22 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 120.775 0.321 . . . . 0.0 111.601 -177.485 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 6.3 ptp180 -78.72 0.68 25.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.361 -177.687 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . 0.415 ' HG ' ' O ' ' B' ' 27' ' ' VAL . 76.1 mt -79.76 -18.39 51.18 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.968 0.413 . . . . 0.0 110.936 -179.263 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 49.0 m -75.65 -2.09 27.76 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.614 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 72.8 m -87.06 149.51 24.67 Favored 'General case' 0 N--CA 1.44 -0.962 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.344 178.244 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.84 -16.03 60.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.954 0.407 . . . . 0.0 111.547 -177.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -57.66 -48.91 78.18 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.399 177.719 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 35' ' ' ALA . . . . . 0.668 ' O ' HG23 ' B' ' 39' ' ' VAL . . . -59.31 -53.08 62.34 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.667 -0.697 . . . . 0.0 109.972 177.085 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -51.11 -35.29 34.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.837 -177.646 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 42.2 t -70.49 -21.93 62.71 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.411 -177.735 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 38' ' ' ARG . . . . . 0.443 ' HD2' ' OE1' ' B' ' 82' ' ' GLU . 56.4 mtt180 -99.2 -47.64 5.12 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.947 0.88 . . . . 0.0 109.17 -178.724 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 39' ' ' VAL . . . . . 0.668 HG23 ' O ' ' B' ' 35' ' ' ALA . 34.3 t -59.85 -43.1 91.23 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-N 114.062 -1.426 . . . . 0.0 111.047 -178.268 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 40' ' ' SER . . . . . 0.456 ' HA ' HG23 ' B' ' 43' ' ' ILE . 35.9 t -78.05 -6.33 54.26 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.854 0.359 . . . . 0.0 111.411 -178.818 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 47.9 t -84.39 -13.78 51.27 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.505 0.669 . . . . 0.0 109.47 177.096 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 45.3 m-80 -121.65 1.58 10.03 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.625 -175.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 43' ' ' ILE . . . . . 0.456 HG23 ' HA ' ' B' ' 40' ' ' SER . 2.0 pt -61.92 -37.83 79.17 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.18 0 CA-C-O 120.957 0.408 . . . . 0.0 110.478 177.264 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -76.62 -15.89 59.71 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.033 -179.022 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -82.97 -53.28 5.95 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.999 -176.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 46' ' ' ILE . . . . . 0.484 HG21 ' HB3' ' B' ' 87' ' ' LEU . 48.8 mt -64.31 -32.33 57.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.121 -179.28 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . 0.693 ' HB1' HD13 ' A' ' 96' ' ' ILE . . . -63.56 -23.79 67.54 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.078 177.268 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 24.9 t -92.77 -50.53 5.53 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.134 -177.697 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -88.18 -18.23 56.04 Favored Glycine 0 CA--C 1.52 0.398 0 C-N-CA 120.773 -0.727 . . . . 0.0 113.626 -174.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 73.25 -80.24 0.74 Allowed Glycine 0 N--CA 1.451 -0.348 0 N-CA-C 111.775 -0.53 . . . . 0.0 111.775 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -116.92 -24.62 7.55 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-O 121.055 0.455 . . . . 0.0 110.195 179.565 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 5.3 t -74.6 -9.56 58.69 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.013 -0.54 . . . . 0.0 109.982 -177.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -91.36 -14.27 31.01 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.628 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 54' ' ' LEU . . . . . 0.423 ' N ' ' HD2' ' B' ' 55' ' ' PRO . 49.2 mt -55.59 -57.79 19.13 Favored Pre-proline 0 CA--C 1.534 0.353 0 CA-C-N 116.632 -0.258 . . . . 0.0 111.53 -179.291 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 55' ' ' PRO . . . . . 0.423 ' HD2' ' N ' ' B' ' 54' ' ' LEU . 16.8 Cg_endo -60.44 -28.25 86.38 Favored 'Trans proline' 0 C--N 1.35 0.62 0 C-N-CA 122.18 1.92 . . . . 0.0 112.288 179.758 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 8.0 m -76.4 -42.09 45.58 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.054 0.454 . . . . 0.0 110.485 179.096 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 53.5 t -85.68 -42.69 16.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.694 -171.2 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 58' ' ' ILE . . . . . 0.552 HG12 ' HG ' ' B' ' 83' ' ' LEU . 50.6 mt -55.85 -44.03 76.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 121.083 0.468 . . . . 0.0 110.308 178.538 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 75.1 m -69.59 -28.72 66.2 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.886 -178.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -67.57 -51.38 51.26 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-O 121.241 0.543 . . . . 0.0 110.699 176.503 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 54.8 mt -70.13 -42.29 79.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.918 -177.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 62' ' ' TYR . . . . . 0.455 ' O ' HG23 ' B' ' 66' ' ' VAL . 62.3 t80 -55.65 -52.23 64.52 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.604 -178.595 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 22.3 m -61.52 -33.03 73.12 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.773 179.678 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -70.24 -38.56 71.87 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.789 -0.719 . . . . 0.0 111.781 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 65' ' ' VAL . . . . . 0.672 HG12 HG11 ' B' ' 70' ' ' VAL . 92.9 t -71.96 -48.01 52.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-O 120.802 0.334 . . . . 0.0 111.181 178.45 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 66' ' ' VAL . . . . . 0.455 HG23 ' O ' ' B' ' 62' ' ' TYR . 96.2 t -58.76 -33.91 50.51 Favored 'Isoleucine or valine' 0 C--O 1.235 0.309 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.177 -178.188 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.94 -12.79 53.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.449 . . . . 0.0 112.031 179.51 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 34.7 t -80.02 -12.24 59.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.038 0.447 . . . . 0.0 110.769 179.302 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 101.72 2.98 52.8 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.51 -0.852 . . . . 0.0 112.27 178.478 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . 0.672 HG11 HG12 ' B' ' 65' ' ' VAL . 10.3 p -66.69 156.79 6.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 N-CA-C 110.376 -0.231 . . . . 0.0 110.376 179.11 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 10.4 t -71.77 155.16 40.76 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 110.209 -0.293 . . . . 0.0 110.209 179.129 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 3.0 p -56.14 -58.76 6.57 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 113.261 0.837 . . . . 0.0 113.261 -172.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -73.14 -25.92 61.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 122.229 -0.294 . . . . 0.0 110.652 -174.148 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -71.52 -35.66 70.79 Favored 'General case' 0 C--N 1.332 -0.161 0 N-CA-C 109.546 -0.538 . . . . 0.0 109.546 174.254 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . 0.581 ' HB2' HG13 ' B' ' 70' ' ' VAL . . . -62.7 -38.57 90.94 Favored 'General case' 0 C--O 1.223 -0.296 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.574 176.303 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 76' ' ' LEU . . . . . 0.482 HD23 ' HB3' ' B' ' 118' ' ' TYR . 2.8 tm? -52.65 -52.03 57.46 Favored 'General case' 0 CA--C 1.518 -0.261 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 177.15 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 77' ' ' ILE . . . . . 0.642 ' O ' ' HG ' ' B' ' 81' ' ' LEU . 42.1 mm -62.1 -54.97 27.36 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.906 -178.125 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 78' ' ' GLN . . . . . 0.463 ' HB2' ' HB1' ' B' ' 26' ' ' ALA . 24.1 tt0 -57.5 -47.84 80.84 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.323 -179.059 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.3 -40.64 97.92 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.818 -178.755 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 80' ' ' LEU . . . . . 0.665 ' O ' ' HG ' ' B' ' 84' ' ' LEU . 2.8 mm? -62.06 -43.41 98.9 Favored 'General case' 0 C--O 1.221 -0.414 0 CA-C-N 116.594 -0.275 . . . . 0.0 110.473 176.491 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . 0.654 HD22 HG11 ' A' ' 115' ' ' VAL . 15.7 mt -68.87 -40.6 79.18 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.597 0.237 . . . . 0.0 111.369 -177.486 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 82' ' ' GLU . . . . . 0.443 ' OE1' ' HD2' ' B' ' 38' ' ' ARG . 50.2 mt-10 -60.85 -37.4 81.97 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.243 0.544 . . . . 0.0 110.019 172.32 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 83' ' ' LEU . . . . . 0.552 ' HG ' HG12 ' B' ' 58' ' ' ILE . 3.4 tm? -63.21 -44.17 96.09 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.421 176.172 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 84' ' ' LEU . . . . . 0.665 ' HG ' ' O ' ' B' ' 80' ' ' LEU . 13.0 mt -64.38 -16.76 62.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.004 -177.106 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 28.1 m -89.87 -28.16 19.43 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 121.035 0.445 . . . . 0.0 110.82 -174.54 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 86' ' ' ALA . . . . . 0.44 ' O ' HG13 ' B' ' 90' ' ' VAL . . . -71.0 -42.74 69.22 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.23 0.538 . . . . 0.0 110.76 -178.102 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 87' ' ' LEU . . . . . 0.52 HD12 ' N ' ' B' ' 88' ' ' VAL . 1.6 pp -82.18 -22.74 35.87 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.604 -0.725 . . . . 0.0 112.829 -171.749 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 88' ' ' VAL . . . . . 0.52 ' N ' HD12 ' B' ' 87' ' ' LEU . 17.2 m -86.37 -21.88 7.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 C-N-CA 119.97 -0.692 . . . . 0.0 110.571 177.118 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 89' ' ' HIS . . . . . . . . . . . . . 72.3 t60 -71.41 -37.42 71.52 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.196 178.294 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 90' ' ' VAL . . . . . 0.489 HG22 ' O ' ' B' ' 87' ' ' LEU . 23.7 m -64.4 -27.24 42.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.464 -175.366 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 91' ' ' LEU . . . . . 0.617 ' HA ' ' HB3' ' B' ' 94' ' ' ALA . 3.3 mm? -64.41 -26.18 68.34 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.316 -179.618 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 36.9 t -62.32 -27.62 69.16 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.605 -179.311 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 93' ' ' SER . . . . . 0.515 ' HB2' HG12 ' A' ' 99' ' ' VAL . 19.7 m -117.5 12.61 14.2 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-O 121.241 0.543 . . . . 0.0 110.505 178.632 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 94' ' ' ALA . . . . . 0.617 ' HB3' ' HA ' ' B' ' 91' ' ' LEU . . . -108.76 98.36 7.87 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.427 179.028 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 5.1 t -76.81 87.39 3.41 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 96' ' ' ILE . . . . . 0.72 HD11 HG13 ' B' ' 99' ' ' VAL . 17.0 tt -62.59 148.38 10.86 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.314 0 CA-C-N 115.52 -0.763 . . . . 0.0 111.667 -178.421 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 97' ' ' GLY . . . . . . . . . . . . . . . -93.88 -85.98 1.62 Allowed Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.867 -0.682 . . . . 0.0 111.731 178.341 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 98' ' ' ASN . . . . . . . . . . . . . 11.2 t30 -150.88 123.54 8.54 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.874 0.369 . . . . 0.0 110.767 177.011 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 99' ' ' VAL . . . . . 0.72 HG13 HD11 ' B' ' 96' ' ' ILE . 4.8 m -98.36 152.95 4.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.901 179.807 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 100' ' ' SER . . . . . . . . . . . . . 49.5 m -119.19 163.07 17.62 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.453 178.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 6.9 p -79.91 -11.1 59.83 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.363 0.601 . . . . 0.0 111.448 -178.445 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 48.9 t -83.83 107.1 14.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.397 -174.191 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . 122.67 -10.08 9.13 Favored Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.716 -0.754 . . . . 0.0 113.296 173.523 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 104' ' ' VAL . . . . . 0.457 ' O ' HD12 ' B' ' 108' ' ' LEU . 26.6 t -58.31 -36.62 58.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 175.871 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -55.41 -43.92 75.71 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.14 -0.936 . . . . 0.0 110.379 177.136 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 14.6 m -69.65 -37.22 76.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.443 -0.799 . . . . 0.0 111.083 -178.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 48.8 m -62.84 -35.03 78.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.074 0.464 . . . . 0.0 110.636 179.78 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 108' ' ' LEU . . . . . 0.51 HD21 HG21 ' A' ' 39' ' ' VAL . 1.1 mt -61.55 -24.76 66.86 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.826 -0.624 . . . . 0.0 111.599 178.177 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 109' ' ' ASN . . . . . 0.461 ' N ' HD22 ' B' ' 109' ' ' ASN . 0.9 OUTLIER -66.78 -28.18 68.19 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.104 0.478 . . . . 0.0 110.461 178.661 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 110' ' ' VAL . . . . . . . . . . . . . 20.7 t -87.81 -35.21 7.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.246 -175.719 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 111' ' ' VAL . . . . . 0.506 HG12 ' O ' ' B' ' 108' ' ' LEU . 7.9 p -63.34 -29.75 48.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 121.26 0.552 . . . . 0.0 110.179 -179.109 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 112' ' ' GLN . . . . . 0.467 ' HG3' ' O ' ' B' ' 108' ' ' LEU . 25.3 mt-30 -70.45 -23.41 62.7 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 121.344 0.592 . . . . 0.0 111.001 -179.181 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 113' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -84.17 -34.12 24.07 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.45 -0.795 . . . . 0.0 110.724 -173.542 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 4.8 p -83.96 -42.45 16.25 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.416 -0.811 . . . . 0.0 112.443 -172.045 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 115' ' ' VAL . . . . . 0.506 HG12 ' O ' ' B' ' 111' ' ' VAL . 12.2 p -105.38 -20.16 6.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 121.005 0.431 . . . . 0.0 110.963 -175.403 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 116' ' ' GLY . . . . . . . . . . . . . . . -62.24 -23.61 64.45 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 121.083 -0.58 . . . . 0.0 112.598 -179.416 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -88.09 5.9 38.9 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.555 0.217 . . . . 0.0 111.467 -179.291 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 118' ' ' TYR . . . . . 0.482 ' HB3' HD23 ' B' ' 76' ' ' LEU . 73.2 m-85 -116.9 -32.61 5.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.846 0.355 . . . . 0.0 110.843 177.308 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 119' ' ' VAL . . . . . 0.419 HG21 HG21 ' A' ' 27' ' ' VAL . 27.4 m -80.2 -1.86 5.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.994 0.426 . . . . 0.0 111.18 178.679 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.184 0 CA-C-O 118.184 -1.342 . . . . 0.0 110.976 177.163 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.407 ' HB3' ' O ' ' B' ' 119' ' ' VAL . 16.3 m . . . . . 0 N--CA 1.445 -0.709 0 CA-C-O 120.953 0.406 . . . . 0.0 110.971 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.6 ' CE1' ' HA ' ' A' ' 74' ' ' GLU . 0.1 OUTLIER -148.8 117.84 6.76 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.358 177.902 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -79.7 -23.58 42.29 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 116.134 -0.484 . . . . 0.0 112.07 -175.242 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.427 ' HA2' HD22 ' A' ' 28' ' ' ASN . . . -64.2 -30.62 78.3 Favored Glycine 0 CA--C 1.509 -0.343 0 C-N-CA 120.895 -0.669 . . . . 0.0 111.936 -179.288 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.503 ' HB1' ' HB2' ' A' ' 78' ' ' GLN . . . -68.68 -14.55 63.09 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.097 0.475 . . . . 0.0 110.237 177.276 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.472 HG22 HD11 ' A' ' 81' ' ' LEU . 3.4 t -95.34 -44.29 13.1 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.438 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.402 -179.37 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.427 HD22 ' HA2' ' A' ' 25' ' ' GLY . 43.1 m-80 -64.22 -32.11 73.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.093 0.473 . . . . 0.0 110.174 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 78.3 ttt180 -65.5 -12.15 50.0 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.512 -178.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.752 HD11 ' HB3' ' A' ' 81' ' ' LEU . 74.5 mt -68.66 -27.83 66.33 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.021 0.439 . . . . 0.0 110.968 -179.729 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 76.0 p -81.53 12.02 4.12 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.776 -179.406 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 34.6 t -94.82 162.67 13.66 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.013 -0.54 . . . . 0.0 109.902 176.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.86 -19.75 65.99 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.96 179.803 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -55.73 -62.72 1.5 Allowed 'General case' 0 C--O 1.233 0.236 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.663 179.182 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.469 ' O ' HG23 ' A' ' 39' ' ' VAL . . . -60.42 -49.84 75.97 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.065 -179.069 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -51.61 -36.69 46.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.539 -0.3 . . . . 0.0 111.514 -177.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 47.9 m -75.39 -22.8 57.17 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.616 0.598 . . . . 0.0 112.616 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 53.2 mtm-85 -95.31 -49.5 5.44 Favored 'General case' 0 CA--C 1.512 -0.483 0 CA-C-O 121.419 0.628 . . . . 0.0 109.768 -178.41 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.528 HG21 HD21 ' B' ' 108' ' ' LEU . 60.3 t -59.12 -32.73 48.6 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.837 0 CA-C-N 114.511 -1.222 . . . . 0.0 111.394 -177.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.493 ' HB2' ' HB3' ' B' ' 101' ' ' SER . 33.4 p -72.62 -12.8 61.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.962 0.411 . . . . 0.0 111.612 -179.422 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 35.3 t -90.91 -18.55 24.57 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.719 0.771 . . . . 0.0 109.124 176.613 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . 0.478 ' OD1' HD11 ' A' ' 61' ' ' ILE . 9.4 m120 -90.77 -27.91 18.6 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 114.878 -1.056 . . . . 0.0 110.141 -174.155 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.538 HG13 ' N ' ' A' ' 44' ' ' ALA . 5.3 pt -56.05 -41.32 68.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.377 -0.828 . . . . 0.0 111.654 -178.456 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.538 ' N ' HG13 ' A' ' 43' ' ' ILE . . . -79.84 -11.21 59.83 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.0 0.428 . . . . 0.0 110.861 -176.691 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -90.33 -51.23 5.54 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.423 -179.193 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.441 HG21 ' HB3' ' A' ' 87' ' ' LEU . 55.3 mt -67.66 -33.41 61.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.597 -178.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.696 ' HB1' HD13 ' B' ' 96' ' ' ILE . . . -62.23 -24.33 67.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.138 0.494 . . . . 0.0 110.763 177.404 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 43.6 t -92.37 -50.36 5.68 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.114 -178.466 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -83.41 -24.32 51.35 Favored Glycine 0 CA--C 1.519 0.284 0 C-N-CA 120.814 -0.708 . . . . 0.0 113.441 -174.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 73.13 -73.68 1.05 Allowed Glycine 0 C--O 1.226 -0.368 0 N-CA-C 111.632 -0.587 . . . . 0.0 111.632 -178.523 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -120.99 -25.94 5.26 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.03 0.443 . . . . 0.0 110.52 178.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 32.9 t -71.58 -14.69 62.16 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.728 -176.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -86.69 -17.7 33.08 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.636 -178.066 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.516 HD11 HG11 ' B' ' 88' ' ' VAL . 41.0 mt -55.63 -58.7 14.25 Favored Pre-proline 0 CA--C 1.534 0.348 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.977 -176.517 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.421 ' HD2' ' N ' ' A' ' 54' ' ' LEU . 20.3 Cg_endo -61.26 -20.84 69.8 Favored 'Trans proline' 0 C--N 1.356 0.927 0 C-N-CA 122.134 1.889 . . . . 0.0 112.52 -176.454 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 15.0 m -89.23 -44.54 10.2 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.046 0.451 . . . . 0.0 110.803 -179.363 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.431 HG11 ' HB3' ' A' ' 42' ' ' ASN . 70.8 t -75.65 -39.18 39.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.388 -174.011 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.539 HG12 ' HG ' ' A' ' 83' ' ' LEU . 64.5 mt -58.64 -42.36 84.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.085 176.587 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 35.0 t -65.07 -42.02 94.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.43 . . . . 0.0 109.959 178.757 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 78.6 m-20 -56.23 -51.03 69.58 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.202 179.08 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.478 HD11 ' OD1' ' A' ' 42' ' ' ASN . 36.7 mt -72.16 -45.69 61.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.067 -178.578 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.456 ' O ' HG23 ' A' ' 66' ' ' VAL . 60.3 t80 -55.91 -54.03 49.62 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-O 120.471 0.177 . . . . 0.0 110.935 -177.004 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 20.2 t -59.66 -34.12 72.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.02 0.438 . . . . 0.0 109.929 -179.706 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -67.65 -44.53 81.47 Favored Glycine 0 C--N 1.332 0.325 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.898 179.677 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.689 HG12 HG11 ' A' ' 70' ' ' VAL . 58.5 t -68.88 -41.07 81.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 120.784 0.326 . . . . 0.0 110.887 179.615 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.456 HG23 ' O ' ' A' ' 62' ' ' TYR . 91.8 t -62.72 -38.33 81.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.691 0.282 . . . . 0.0 110.762 179.286 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.35 -13.61 62.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.296 178.73 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.409 ' HB3' ' O ' ' A' ' 65' ' ' VAL . 32.8 t -76.76 -18.23 58.58 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.611 179.049 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 102.26 25.72 7.71 Favored Glycine 0 C--N 1.333 0.391 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.919 178.182 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.689 HG11 HG12 ' A' ' 65' ' ' VAL . 12.7 p -89.68 163.4 2.36 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 N-CA-C 110.225 -0.287 . . . . 0.0 110.225 -179.389 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 37.9 t -68.43 147.98 51.29 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.735 -0.468 . . . . 0.0 109.735 174.319 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 5.1 m -57.25 -49.58 75.59 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.128 0.418 . . . . 0.0 112.128 -174.531 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -74.22 -31.41 62.61 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.802 0.334 . . . . 0.0 110.487 -175.02 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.6 ' HA ' ' CE1' ' A' ' 23' ' ' TYR . 37.7 tt0 -71.55 -31.36 66.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.1 0.476 . . . . 0.0 109.72 177.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.51 ' HB2' HG13 ' A' ' 70' ' ' VAL . . . -61.67 -37.93 85.88 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.635 -0.711 . . . . 0.0 111.133 177.424 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.466 HD23 ' HB3' ' A' ' 118' ' ' TYR . 3.0 tm? -55.53 -45.26 77.19 Favored 'General case' 0 CA--C 1.52 -0.21 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 179.216 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.664 ' O ' ' HG ' ' A' ' 81' ' ' LEU . 42.1 mm -65.33 -56.21 16.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.815 -178.465 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . 0.503 ' HB2' ' HB1' ' A' ' 26' ' ' ALA . 17.8 tt0 -57.91 -46.74 84.52 Favored 'General case' 0 N--CA 1.463 0.212 0 C-N-CA 121.157 -0.217 . . . . 0.0 111.304 -179.762 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.81 -37.51 82.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.959 0.409 . . . . 0.0 110.794 -178.767 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.58 ' O ' HD23 ' A' ' 84' ' ' LEU . 6.0 mt -73.67 -41.34 62.81 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.951 178.024 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.752 ' HB3' HD11 ' A' ' 30' ' ' LEU . 93.4 mt -59.35 -42.32 91.28 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.883 0.373 . . . . 0.0 110.828 178.59 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -66.43 -35.25 79.83 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.533 175.344 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.539 ' HG ' HG12 ' A' ' 58' ' ' ILE . 3.5 tm? -66.05 -42.55 89.36 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-O 121.311 0.577 . . . . 0.0 109.684 177.526 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.58 HD23 ' O ' ' A' ' 80' ' ' LEU . 4.0 mm? -66.54 -13.27 60.74 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.251 -0.886 . . . . 0.0 111.709 -179.716 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 48.6 m -91.81 -32.13 15.48 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 120.967 0.413 . . . . 0.0 110.577 -176.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.423 ' HB2' HG13 ' A' ' 39' ' ' VAL . . . -68.56 -47.46 66.79 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.987 -177.522 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.506 HD12 ' N ' ' A' ' 88' ' ' VAL . 1.0 OUTLIER -76.28 -24.21 54.43 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 113.046 0.758 . . . . 0.0 113.046 -171.566 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.506 ' N ' HD12 ' A' ' 87' ' ' LEU . 19.5 m -85.41 -21.31 7.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 C-N-CA 120.093 -0.643 . . . . 0.0 110.428 177.043 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 70.7 t60 -71.78 -37.22 70.48 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.29 178.382 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.484 HG22 ' O ' ' A' ' 87' ' ' LEU . 16.6 m -64.41 -26.12 39.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 C-N-CA 120.699 -0.401 . . . . 0.0 111.178 -175.123 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.632 ' HA ' ' HB3' ' A' ' 94' ' ' ALA . 3.6 mm? -66.94 -22.07 65.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.037 179.223 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 26.2 t -59.76 -29.52 68.23 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-O 120.79 0.329 . . . . 0.0 110.684 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . 0.411 ' HB3' HG12 ' B' ' 99' ' ' VAL . 8.5 t -123.2 13.28 9.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.408 0.623 . . . . 0.0 109.915 -179.683 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.632 ' HB3' ' HA ' ' A' ' 91' ' ' LEU . . . -101.93 98.0 8.28 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.618 179.573 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 33.2 t -72.63 84.57 1.16 Allowed 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.169 -0.469 . . . . 0.0 109.789 176.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.744 HD13 ' HB1' ' B' ' 47' ' ' ALA . 18.6 tt -68.0 142.79 15.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.703 178.58 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -82.5 -97.16 0.5 Allowed Glycine 0 N--CA 1.447 -0.605 0 C-N-CA 120.595 -0.812 . . . . 0.0 111.586 178.617 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 11.3 t30 -145.23 124.73 13.15 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.869 0.366 . . . . 0.0 110.299 176.63 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.588 HG12 ' HB2' ' B' ' 93' ' ' SER . 15.4 m -100.26 151.95 4.95 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.493 -179.748 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 48.7 m -117.16 150.22 39.07 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.459 -178.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . 0.433 ' HB3' ' HB2' ' B' ' 40' ' ' SER . 47.2 m -80.46 44.38 0.7 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.451 -177.399 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 7.7 p -136.22 130.81 48.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-O 121.081 0.467 . . . . 0.0 110.423 -178.024 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 101.11 -12.3 58.8 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.829 -0.7 . . . . 0.0 112.504 178.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 21.2 t -57.23 -33.51 43.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.716 0.293 . . . . 0.0 110.318 178.209 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -50.8 -42.37 58.03 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.595 177.696 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 15.5 m -77.12 -39.11 50.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.35 -178.214 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 31.8 m -59.75 -35.42 74.56 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-O 121.148 0.499 . . . . 0.0 110.57 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.568 HD21 HG21 ' B' ' 39' ' ' VAL . 2.9 mt -61.47 -26.1 67.68 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.517 -0.765 . . . . 0.0 111.754 179.268 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . 0.507 HD22 ' N ' ' A' ' 109' ' ' ASN . 0.8 OUTLIER -72.95 -23.7 60.71 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.073 0.464 . . . . 0.0 110.325 179.855 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 33.5 t -85.07 -39.47 14.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.934 -176.741 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.501 HG12 ' O ' ' A' ' 108' ' ' LEU . 11.3 p -60.58 -29.43 44.7 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.332 0 CA-C-O 121.301 0.572 . . . . 0.0 110.535 -178.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . 0.514 ' HG3' ' O ' ' A' ' 108' ' ' LEU . 25.4 mt-30 -67.39 -21.52 65.6 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.29 -178.499 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -85.62 -26.33 26.12 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.317 0.58 . . . . 0.0 110.809 -173.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 6.7 m -83.82 -44.85 13.92 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.709 -173.604 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.61 HG11 HD22 ' B' ' 81' ' ' LEU . 9.6 p -107.98 -21.41 5.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-O 121.045 0.45 . . . . 0.0 111.376 -173.106 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -57.82 -28.88 60.98 Favored Glycine 0 C--O 1.229 -0.205 0 CA-C-N 115.919 -0.582 . . . . 0.0 113.192 -176.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . 0.42 HE21 ' HB2' ' A' ' 117' ' ' GLN . 0.0 OUTLIER -78.47 -14.81 59.19 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-O 120.606 0.241 . . . . 0.0 111.532 -178.637 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . 0.466 ' HB3' HD23 ' A' ' 76' ' ' LEU . 82.7 m-85 -97.08 -35.43 10.81 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-O 121.037 0.446 . . . . 0.0 110.376 -179.39 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 33.5 m . . . . . 0 C--N 1.323 -0.551 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.963 178.85 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 8.8 m . . . . . 0 N--CA 1.443 -0.802 0 N-CA-C 110.243 -0.28 . . . . 0.0 110.243 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -148.29 126.18 11.96 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.332 -178.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -82.12 -15.16 54.34 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.446 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.14 -30.49 77.92 Favored Glycine 0 CA--C 1.509 -0.296 0 C-N-CA 120.996 -0.621 . . . . 0.0 111.851 179.121 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 26' ' ' ALA . . . . . 0.515 ' HB1' ' HB2' ' B' ' 78' ' ' GLN . . . -78.16 -0.24 27.57 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.072 0.463 . . . . 0.0 110.913 178.642 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 27' ' ' VAL . . . . . 0.512 HG22 ' CD1' ' B' ' 81' ' ' LEU . 2.6 t -110.45 -49.27 6.68 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.441 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.021 -177.659 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 28' ' ' ASN . . . . . 0.408 ' HA ' ' NE2' ' A' ' 112' ' ' GLN . 10.4 p30 -74.15 0.79 12.84 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 120.382 -0.527 . . . . 0.0 111.079 -177.32 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 80.4 ttt180 -93.69 -5.01 49.5 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.35 0.595 . . . . 0.0 109.962 175.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . 0.545 HD11 ' HB3' ' B' ' 81' ' ' LEU . 84.9 mt -74.42 -22.59 59.07 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.962 -177.817 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 59.8 p -81.23 6.8 12.97 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.422 179.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 41.5 t -89.04 156.35 18.9 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.572 -0.74 . . . . 0.0 109.756 177.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.55 -21.98 63.15 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.791 0.329 . . . . 0.0 111.116 -179.809 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -52.53 -63.33 1.18 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.958 178.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 35' ' ' ALA . . . . . 0.412 ' O ' HG23 ' B' ' 39' ' ' VAL . . . -61.44 -46.12 91.42 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.104 -178.482 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -58.66 -24.28 60.89 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.676 0.274 . . . . 0.0 111.737 -177.047 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 28.6 t -88.31 -16.72 32.35 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.739 179.663 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 58.4 mtm-85 -101.61 -49.96 3.86 Favored 'General case' 0 CA--C 1.513 -0.447 0 CA-C-O 121.49 0.662 . . . . 0.0 109.729 -179.19 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 39' ' ' VAL . . . . . 0.568 HG21 HD21 ' A' ' 108' ' ' LEU . 67.6 t -58.31 -31.66 43.07 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.756 0 CA-C-N 114.604 -1.18 . . . . 0.0 111.472 -178.254 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 40' ' ' SER . . . . . 0.433 ' HB2' ' HB3' ' A' ' 101' ' ' SER . 63.8 p -78.05 -7.05 56.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.898 0.38 . . . . 0.0 111.276 -177.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 40.8 t -94.19 -21.5 19.03 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.756 0.788 . . . . 0.0 109.068 174.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 42' ' ' ASN . . . . . 0.458 ' OD1' HD11 ' B' ' 61' ' ' ILE . 10.2 m120 -86.34 -28.3 23.75 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 114.81 -1.086 . . . . 0.0 109.81 -173.113 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 43' ' ' ILE . . . . . 0.531 HG13 ' N ' ' B' ' 44' ' ' ALA . 5.4 pt -55.11 -42.36 64.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 114.976 -1.011 . . . . 0.0 111.966 -176.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 44' ' ' ALA . . . . . 0.531 ' N ' HG13 ' B' ' 43' ' ' ILE . . . -80.18 -12.46 59.64 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.174 0.511 . . . . 0.0 111.014 -175.11 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -90.31 -50.44 5.97 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.041 -179.332 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 54.2 mt -65.42 -33.71 65.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.433 -179.776 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . 0.744 ' HB1' HD13 ' A' ' 96' ' ' ILE . . . -65.05 -17.03 64.1 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.612 179.457 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 24.7 t -99.37 -39.03 8.59 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.782 0.325 . . . . 0.0 111.05 -177.716 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -99.53 -22.03 13.46 Favored Glycine 0 CA--C 1.518 0.25 0 C-N-CA 120.445 -0.884 . . . . 0.0 113.539 -175.096 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 76.2 -81.73 1.05 Allowed Glycine 0 N--CA 1.448 -0.562 0 N-CA-C 111.132 -0.787 . . . . 0.0 111.132 -178.237 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -115.17 -20.27 10.48 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-O 121.325 0.584 . . . . 0.0 109.84 177.055 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 8.4 t -74.72 -6.92 51.49 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.401 -0.818 . . . . 0.0 110.415 -176.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -101.03 -11.39 19.7 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.904 179.759 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 54' ' ' LEU . . . . . 0.437 HD11 HG11 ' A' ' 88' ' ' VAL . 59.1 mt -56.99 -56.16 36.3 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.894 -177.082 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 55' ' ' PRO . . . . . 0.436 ' HD2' ' N ' ' B' ' 54' ' ' LEU . 19.7 Cg_endo -62.02 -25.94 78.08 Favored 'Trans proline' 0 C--N 1.349 0.588 0 C-N-CA 121.85 1.7 . . . . 0.0 112.558 -178.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 15.3 m -78.05 -36.66 48.17 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.326 0.584 . . . . 0.0 110.601 178.635 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . 0.416 HG11 ' HB3' ' B' ' 42' ' ' ASN . 57.0 t -90.56 -44.78 14.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.567 -171.356 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 58' ' ' ILE . . . . . 0.507 HG12 ' HG ' ' B' ' 83' ' ' LEU . 51.6 mt -56.41 -43.19 76.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 121.01 0.433 . . . . 0.0 110.982 -179.682 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 74.3 m -68.97 -28.41 66.59 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.89 -177.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 80.1 m-20 -68.36 -45.02 73.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.986 0.422 . . . . 0.0 110.543 175.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . 0.458 HD11 ' OD1' ' B' ' 42' ' ' ASN . 40.1 mt -71.18 -45.74 69.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.036 179.366 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 62' ' ' TYR . . . . . 0.433 ' O ' HG23 ' B' ' 66' ' ' VAL . 52.3 t80 -56.78 -50.61 71.78 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.866 -177.077 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 63.1 m -60.56 -30.71 69.95 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.931 0.396 . . . . 0.0 110.683 178.65 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -70.93 -43.74 57.31 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.797 -0.716 . . . . 0.0 111.852 179.47 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 65' ' ' VAL . . . . . 0.669 HG12 HG11 ' B' ' 70' ' ' VAL . 79.3 t -68.43 -45.85 81.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-O 120.783 0.325 . . . . 0.0 111.185 -179.414 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 66' ' ' VAL . . . . . 0.433 HG23 ' O ' ' B' ' 62' ' ' TYR . 88.5 t -60.85 -37.07 75.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.251 -178.889 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.33 -15.25 62.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.779 179.724 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 39.3 t -74.47 -18.64 60.6 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.93 0.395 . . . . 0.0 110.656 179.041 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 95.97 35.04 5.7 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.609 -0.805 . . . . 0.0 112.23 -178.805 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . 0.669 HG11 HG12 ' B' ' 65' ' ' VAL . 14.5 p -97.36 161.51 2.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 110.076 -0.342 . . . . 0.0 110.076 179.661 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 71' ' ' SER . . . . . 0.401 ' N ' HG22 ' B' ' 70' ' ' VAL . 34.3 t -61.96 144.82 54.5 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 110.074 -0.343 . . . . 0.0 110.074 175.213 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 5.3 p -60.55 -47.08 87.76 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 111.924 0.342 . . . . 0.0 111.924 -175.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -70.91 -30.83 67.28 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.891 0.376 . . . . 0.0 110.124 -178.27 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -76.64 -32.6 58.1 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.129 0.49 . . . . 0.0 110.008 179.735 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . 0.583 ' HB2' HG13 ' B' ' 70' ' ' VAL . . . -61.55 -39.46 91.16 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.67 -0.695 . . . . 0.0 111.304 177.862 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 76' ' ' LEU . . . . . 0.405 ' O ' ' HB2' ' B' ' 80' ' ' LEU . 2.7 tm? -53.99 -39.97 66.53 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.227 178.649 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 77' ' ' ILE . . . . . 0.627 ' O ' ' HG ' ' B' ' 81' ' ' LEU . 43.0 mm -69.63 -55.52 14.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.223 -178.568 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 78' ' ' GLN . . . . . 0.515 ' HB2' ' HB1' ' B' ' 26' ' ' ALA . 30.9 tt0 -57.86 -47.03 83.92 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 120.616 0.246 . . . . 0.0 111.162 179.373 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.5 -35.67 76.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.796 -178.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 80' ' ' LEU . . . . . 0.561 ' O ' HD23 ' B' ' 84' ' ' LEU . 4.0 mt -75.93 -42.23 49.41 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.218 178.666 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . 0.627 ' HG ' ' O ' ' B' ' 77' ' ' ILE . 20.4 mt -65.19 -36.88 85.58 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 120.748 0.309 . . . . 0.0 110.915 -177.862 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 -63.47 -35.94 82.09 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.195 171.72 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 83' ' ' LEU . . . . . 0.507 ' HG ' HG12 ' B' ' 58' ' ' ILE . 3.4 tm? -67.27 -41.85 84.84 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-O 121.172 0.511 . . . . 0.0 109.688 177.686 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 84' ' ' LEU . . . . . 0.561 HD23 ' O ' ' B' ' 80' ' ' LEU . 4.2 mm? -66.54 -12.67 58.81 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.438 -0.801 . . . . 0.0 111.736 -179.741 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 85' ' ' SER . . . . . 0.448 ' OG ' HG11 ' A' ' 111' ' ' VAL . 47.7 m -91.71 -31.99 15.6 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 120.978 0.418 . . . . 0.0 110.408 -177.181 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 86' ' ' ALA . . . . . 0.426 ' HB2' HG13 ' B' ' 39' ' ' VAL . . . -69.11 -46.03 68.72 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.9 -176.593 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 87' ' ' LEU . . . . . 0.464 HD22 HD13 ' A' ' 87' ' ' LEU . 1.4 pp -77.34 -18.04 57.76 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.494 -0.776 . . . . 0.0 113.087 -171.692 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 88' ' ' VAL . . . . . 0.516 HG11 HD11 ' A' ' 54' ' ' LEU . 15.6 m -90.6 -21.84 6.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 C-N-CA 120.097 -0.641 . . . . 0.0 110.677 176.584 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 89' ' ' HIS . . . . . . . . . . . . . 74.7 t60 -71.4 -35.11 70.9 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.051 178.019 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 90' ' ' VAL . . . . . 0.54 ' HA ' HG11 ' A' ' 99' ' ' VAL . 22.2 m -65.18 -28.53 44.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.751 -176.437 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 91' ' ' LEU . . . . . 0.633 ' HA ' ' HB3' ' B' ' 94' ' ' ALA . 3.1 mm? -62.82 -23.35 67.23 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.924 -179.756 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 22.7 t -67.19 -20.37 65.7 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.065 -179.725 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 93' ' ' SER . . . . . 0.588 ' HB2' HG12 ' A' ' 99' ' ' VAL . 17.9 m -124.27 12.43 8.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.357 0.599 . . . . 0.0 110.169 177.238 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 94' ' ' ALA . . . . . 0.633 ' HB3' ' HA ' ' B' ' 91' ' ' LEU . . . -111.0 101.13 9.71 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.048 -178.353 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 22.7 t -78.0 89.54 4.16 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 176.695 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 96' ' ' ILE . . . . . 0.696 HD13 ' HB1' ' A' ' 47' ' ' ALA . 20.1 tt -67.47 144.07 14.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.268 -179.222 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 97' ' ' GLY . . . . . . . . . . . . . . . -95.73 -116.93 3.15 Favored Glycine 0 N--CA 1.445 -0.722 0 C-N-CA 120.864 -0.684 . . . . 0.0 112.408 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 98' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -112.42 103.65 11.76 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.064 0.459 . . . . 0.0 110.591 -176.526 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 99' ' ' VAL . . . . . 0.531 ' CG1' HD11 ' B' ' 96' ' ' ILE . 14.4 m -89.29 163.82 2.31 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.35 175.651 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 100' ' ' SER . . . . . . . . . . . . . 66.5 m -142.67 157.65 44.46 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.211 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 101' ' ' SER . . . . . 0.493 ' HB3' ' HB2' ' A' ' 40' ' ' SER . 51.0 m -74.72 -14.42 60.72 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.332 0.587 . . . . 0.0 111.191 -177.536 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 44.4 t -77.88 101.2 3.48 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.944 -176.047 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . 129.35 -10.26 6.17 Favored Glycine 0 N--CA 1.448 -0.503 0 CA-C-N 115.758 -0.656 . . . . 0.0 112.952 176.779 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 104' ' ' VAL . . . . . . . . . . . . . 29.6 t -59.61 -35.36 58.99 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.272 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 175.146 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -49.47 -41.41 40.3 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.044 -0.98 . . . . 0.0 110.811 175.364 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 20.5 m -81.67 -35.11 30.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.579 -176.646 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 23.9 m -63.2 -38.13 89.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.143 0.497 . . . . 0.0 111.072 -179.677 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 108' ' ' LEU . . . . . 0.605 ' O ' HG12 ' B' ' 111' ' ' VAL . 4.5 mt -57.81 -33.87 69.04 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.442 -0.799 . . . . 0.0 111.964 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 109' ' ' ASN . . . . . . . . . . . . . 19.0 m-80 -69.39 -20.35 63.81 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.817 0.341 . . . . 0.0 111.406 -179.385 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 110' ' ' VAL . . . . . . . . . . . . . 40.1 t -87.88 -38.8 12.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.024 -178.153 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 111' ' ' VAL . . . . . 0.605 HG12 ' O ' ' B' ' 108' ' ' LEU . 7.7 p -61.39 -27.53 42.11 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.274 0 CA-C-O 121.519 0.676 . . . . 0.0 110.303 -179.059 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 112' ' ' GLN . . . . . 0.512 ' HG3' ' O ' ' B' ' 108' ' ' LEU . 24.7 mt-30 -67.15 -22.35 65.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.295 -0.866 . . . . 0.0 111.242 -179.463 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 113' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -79.88 -38.8 31.85 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.599 -175.583 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 4.2 m -77.89 -41.52 36.38 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.311 -0.858 . . . . 0.0 112.151 -169.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 115' ' ' VAL . . . . . . . . . . . . . 8.7 p -108.36 -19.67 6.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-O 120.851 0.358 . . . . 0.0 111.364 -173.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 116' ' ' GLY . . . . . . . . . . . . . . . -57.53 -26.38 56.87 Favored Glycine 0 C--O 1.227 -0.314 0 CA-C-N 116.095 -0.502 . . . . 0.0 113.149 -178.359 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -87.28 6.53 32.89 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 111.899 0.333 . . . . 0.0 111.899 -178.086 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 118' ' ' TYR . . . . . . . . . . . . . 66.4 m-85 -119.86 -27.63 5.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.172 0.51 . . . . 0.0 110.428 176.781 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 119' ' ' VAL . . . . . 0.435 HG21 HG21 ' A' ' 27' ' ' VAL . 31.0 m -91.26 1.99 8.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.286 177.742 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.112 -1.382 . . . . 0.0 111.805 179.277 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 19.2 m . . . . . 0 N--CA 1.442 -0.841 0 CA-C-O 120.678 0.275 . . . . 0.0 110.418 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.521 ' CE1' ' HA ' ' A' ' 74' ' ' GLU . 0.1 OUTLIER -148.4 117.88 6.97 Favored 'General case' 0 N--CA 1.446 -0.629 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 -179.937 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -80.44 -23.69 40.12 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.798 -176.326 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.31 -29.73 75.98 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.805 -0.712 . . . . 0.0 111.623 -178.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.501 ' HB1' ' HB2' ' A' ' 78' ' ' GLN . . . -70.0 -9.63 55.89 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.227 0.537 . . . . 0.0 110.219 176.85 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.503 HG22 ' CD1' ' A' ' 81' ' ' LEU . 2.9 t -102.81 -46.93 10.94 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.464 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.461 179.547 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 46.8 m-80 -61.62 -30.39 70.67 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-O 121.287 0.565 . . . . 0.0 110.282 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 78.8 ttt180 -67.74 -14.13 62.69 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.247 -0.888 . . . . 0.0 111.371 -179.499 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.51 ' HB3' HD12 ' B' ' 108' ' ' LEU . 96.0 mt -66.65 -25.65 66.67 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.514 -177.627 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 31.8 p -80.99 10.91 4.46 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.281 0.562 . . . . 0.0 111.09 -179.713 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 28.2 t -93.69 159.62 15.13 Favored 'General case' 0 N--CA 1.449 -0.51 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 175.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.97 -21.28 63.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.236 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -52.21 -59.83 3.93 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.163 178.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.606 ' O ' HG23 ' A' ' 39' ' ' VAL . . . -61.24 -57.99 10.13 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.246 -179.43 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.88 -31.18 16.64 Favored 'General case' 0 N--CA 1.464 0.259 0 O-C-N 123.247 0.342 . . . . 0.0 111.815 -176.556 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 28.5 t -74.8 -26.77 59.96 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.698 -179.133 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.535 ' HD2' ' OE1' ' A' ' 82' ' ' GLU . 60.1 mtt180 -95.41 -46.04 6.87 Favored 'General case' 0 CA--C 1.516 -0.34 0 CA-C-O 121.944 0.878 . . . . 0.0 109.595 -177.668 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.606 HG23 ' O ' ' A' ' 35' ' ' ALA . 45.7 t -58.64 -40.72 80.09 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.773 0 CA-C-N 114.118 -1.401 . . . . 0.0 111.308 -176.715 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.469 ' HB2' ' HB3' ' B' ' 101' ' ' SER . 81.0 p -74.25 -12.36 60.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.062 0.458 . . . . 0.0 111.244 -178.082 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 40.1 t -89.03 -9.65 50.5 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.471 179.747 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 40.2 m-80 -120.91 -3.6 9.66 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.543 -174.712 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.519 HG13 ' N ' ' A' ' 44' ' ' ALA . 5.6 pt -58.56 -41.3 81.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.916 177.238 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.519 ' N ' HG13 ' A' ' 43' ' ' ILE . . . -77.45 -13.01 60.02 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.081 0.467 . . . . 0.0 110.79 -176.703 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -79.94 -52.96 7.2 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.97 179.335 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.447 HG21 ' HB3' ' A' ' 87' ' ' LEU . 27.9 mt -66.32 -33.84 66.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.492 -179.48 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.661 ' HB1' HD13 ' B' ' 96' ' ' ILE . . . -61.57 -22.28 65.05 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.388 178.399 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 34.0 m -101.77 -41.37 6.55 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.606 -175.101 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -93.76 -24.32 20.89 Favored Glycine 0 CA--C 1.517 0.204 0 C-N-CA 120.532 -0.842 . . . . 0.0 113.192 -176.64 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 73.73 -76.61 0.99 Allowed Glycine 0 N--CA 1.451 -0.333 0 N-CA-C 111.728 -0.549 . . . . 0.0 111.728 -178.537 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -114.95 -27.34 7.41 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 121.082 0.468 . . . . 0.0 110.103 179.815 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 13.3 m -71.36 -9.97 59.0 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.516 -179.112 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -88.58 -20.06 25.51 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.583 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.415 ' HB2' ' HD3' ' A' ' 55' ' ' PRO . 50.8 mt -54.02 -56.5 25.19 Favored Pre-proline 0 CA--C 1.537 0.469 0 CA-C-N 116.175 -0.466 . . . . 0.0 112.136 -177.322 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.415 ' HD3' ' HB2' ' A' ' 54' ' ' LEU . 27.8 Cg_endo -65.78 -11.6 31.5 Favored 'Trans proline' 0 C--N 1.354 0.84 0 C-N-CA 122.13 1.887 . . . . 0.0 112.829 -179.199 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 29.8 m -92.55 -45.27 8.19 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.081 0.467 . . . . 0.0 110.223 176.746 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 89.0 t -77.24 -40.36 29.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.614 -172.036 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.51 HG12 HD22 ' A' ' 83' ' ' LEU . 58.3 mt -59.41 -46.17 92.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.119 176.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 58.1 m -68.5 -28.66 67.21 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.917 -178.309 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -65.29 -56.58 11.92 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.163 0.506 . . . . 0.0 110.504 175.163 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 55.3 mt -70.03 -43.14 79.46 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 115.517 -0.765 . . . . 0.0 111.496 -174.678 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 50.3 t80 -54.56 -48.05 72.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.251 -177.617 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 13.3 t -64.95 -25.5 67.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.112 0.482 . . . . 0.0 110.591 -179.419 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -76.57 -38.65 32.01 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.722 -0.751 . . . . 0.0 111.349 178.004 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.648 HG12 HG11 ' A' ' 70' ' ' VAL . 92.5 t -71.43 -45.77 67.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 120.848 0.356 . . . . 0.0 111.077 179.446 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 71.1 t -59.99 -34.53 56.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-O 121.034 0.445 . . . . 0.0 111.099 -179.463 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.37 -15.26 47.55 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.967 178.352 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 43.0 t -78.61 -16.22 57.62 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.592 0.234 . . . . 0.0 111.411 -178.638 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 91.08 32.24 9.1 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.567 -0.825 . . . . 0.0 111.948 -177.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.648 HG11 HG12 ' A' ' 65' ' ' VAL . 12.2 p -90.94 161.42 2.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 115.605 -0.297 . . . . 0.0 110.251 -178.505 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 46.7 t -61.41 147.17 45.89 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 110.148 -0.316 . . . . 0.0 110.148 175.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 9.5 m -56.41 -51.51 68.1 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-O 121.016 0.436 . . . . 0.0 111.458 -176.648 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -74.69 -27.23 60.31 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.184 -175.686 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.521 ' HA ' ' CE1' ' A' ' 23' ' ' TYR . 36.1 tt0 -74.98 -33.85 61.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.008 0.432 . . . . 0.0 110.495 179.38 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.54 ' HB2' HG13 ' A' ' 70' ' ' VAL . . . -59.18 -37.53 77.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.84 177.162 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.536 HD23 ' HB3' ' A' ' 118' ' ' TYR . 2.9 tm? -56.53 -43.68 80.07 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.234 179.045 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.593 ' O ' ' HG ' ' A' ' 81' ' ' LEU . 43.8 mm -66.43 -56.87 12.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.054 -177.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . 0.501 ' HB2' ' HB1' ' A' ' 26' ' ' ALA . 23.1 tt0 -57.08 -47.79 80.18 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.643 0.259 . . . . 0.0 111.104 -179.635 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.37 -35.93 78.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.953 -178.628 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.447 HD23 ' HA ' ' A' ' 80' ' ' LEU . 4.2 mt -71.91 -45.23 61.95 Favored 'General case' 0 N--CA 1.449 -0.525 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.878 178.79 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.672 HD22 HG11 ' B' ' 115' ' ' VAL . 20.2 mt -63.38 -35.98 82.21 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 120.925 0.393 . . . . 0.0 110.572 -177.804 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.535 ' OE1' ' HD2' ' A' ' 38' ' ' ARG . 53.1 mt-10 -65.11 -31.24 72.34 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.603 172.564 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.51 HD22 HG12 ' A' ' 58' ' ' ILE . 21.0 tp -70.87 -47.57 58.55 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-O 120.703 0.287 . . . . 0.0 110.837 175.123 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.456 ' O ' HG22 ' A' ' 88' ' ' VAL . 6.3 mp -59.58 -14.98 15.43 Favored 'General case' 0 C--O 1.223 -0.321 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.384 -178.838 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 39.8 m -88.27 -33.95 17.87 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.769 0.318 . . . . 0.0 111.067 -178.715 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.42 ' HB2' HG13 ' A' ' 39' ' ' VAL . . . -69.95 -41.39 74.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.384 0.612 . . . . 0.0 110.662 -175.782 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.548 HD12 ' N ' ' A' ' 88' ' ' VAL . 1.8 pp -79.13 -25.62 42.9 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.424 -0.807 . . . . 0.0 112.729 -172.495 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.548 ' N ' HD12 ' A' ' 87' ' ' LEU . 17.2 m -86.6 -22.72 7.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 C-N-CA 120.057 -0.657 . . . . 0.0 110.704 177.641 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 72.9 t60 -66.56 -38.95 88.19 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.241 178.159 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.454 HG22 ' O ' ' A' ' 87' ' ' LEU . 22.3 m -67.41 -26.75 36.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.781 -174.267 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.671 ' HA ' ' HB3' ' A' ' 94' ' ' ALA . 3.4 mm? -61.78 -23.23 66.06 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.555 0.217 . . . . 0.0 111.185 -179.702 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 19.2 t -60.33 -31.93 70.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.768 -179.293 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 13.7 t -116.77 3.38 12.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.614 0.721 . . . . 0.0 109.795 -178.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.671 ' HB3' ' HA ' ' A' ' 91' ' ' LEU . . . -94.53 102.55 14.49 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.629 -179.822 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 12.3 t -73.67 89.33 1.75 Allowed 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.716 178.145 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.826 HD13 ' HB1' ' B' ' 47' ' ' ALA . 16.3 tt -73.96 148.82 8.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.603 -178.657 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -89.06 -131.51 4.13 Favored Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 120.984 -0.627 . . . . 0.0 111.803 176.273 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 11.0 t30 -116.03 95.38 5.07 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.456 0.646 . . . . 0.0 110.299 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.604 HG12 ' HB3' ' B' ' 93' ' ' SER . 21.4 m -73.58 131.85 34.29 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.528 179.762 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 43.4 m -105.02 152.23 22.98 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.33 -177.246 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . 0.419 ' HB3' ' HB2' ' B' ' 40' ' ' SER . 19.4 m -78.7 27.92 0.21 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.159 -0.473 . . . . 0.0 112.118 -175.809 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 63.4 t -122.47 120.11 60.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 120.802 0.334 . . . . 0.0 110.428 -177.068 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 113.15 -9.6 24.84 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.882 -0.675 . . . . 0.0 112.604 177.73 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.418 HG22 ' CD2' ' B' ' 89' ' ' HIS . 21.4 t -59.83 -30.47 45.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 C-N-CA 122.214 0.206 . . . . 0.0 111.146 -178.477 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -51.05 -38.85 53.98 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-O 121.263 0.554 . . . . 0.0 111.241 -179.567 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 23.2 t -71.55 -29.36 64.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.078 -178.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 19.2 m -71.88 -35.71 69.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.611 -176.668 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.581 ' O ' HG12 ' A' ' 111' ' ' VAL . 4.5 mm? -57.86 -36.1 71.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.738 177.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 18.0 m-80 -70.36 -16.6 62.99 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.644 -177.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 40.1 t -92.37 -39.55 11.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 120.704 0.288 . . . . 0.0 110.969 -178.252 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.581 HG12 ' O ' ' A' ' 108' ' ' LEU . 7.8 p -60.44 -28.49 42.38 Favored 'Isoleucine or valine' 0 C--O 1.236 0.351 0 CA-C-O 121.415 0.626 . . . . 0.0 110.611 -178.698 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . 0.522 ' HG2' HG12 ' B' ' 27' ' ' VAL . 24.4 mt-30 -65.55 -26.84 68.06 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.027 -178.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -77.52 -34.68 53.95 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.747 -174.449 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 5.4 m -82.07 -41.31 20.74 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.671 -0.695 . . . . 0.0 112.094 -171.109 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.678 HG11 HD22 ' B' ' 81' ' ' LEU . 12.9 p -105.57 -21.53 5.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 120.817 0.341 . . . . 0.0 111.196 -173.154 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -57.33 -28.23 58.86 Favored Glycine 0 C--N 1.331 0.278 0 CA-C-N 116.042 -0.526 . . . . 0.0 113.171 -176.658 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . 0.4 HE21 ' HB2' ' A' ' 117' ' ' GLN . 0.0 OUTLIER -85.88 -1.8 57.63 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.635 0.255 . . . . 0.0 111.595 -177.96 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . 0.536 ' HB3' HD23 ' A' ' 76' ' ' LEU . 84.7 m-85 -110.85 -29.96 7.74 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.878 0.371 . . . . 0.0 110.624 177.523 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.44 ' O ' ' HB3' ' B' ' 22' ' ' SER . 35.6 m . . . . . 0 C--N 1.328 -0.357 0 CA-C-O 121.254 0.549 . . . . 0.0 110.468 175.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 22' ' ' SER . . . . . 0.44 ' HB3' ' O ' ' A' ' 119' ' ' VAL . 27.2 m . . . . . 0 N--CA 1.447 -0.593 0 N-CA-C 110.101 -0.333 . . . . 0.0 110.101 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 23' ' ' TYR . . . . . 0.499 ' OH ' ' HB3' ' B' ' 73' ' ' ASN . 0.1 OUTLIER -148.95 117.55 6.57 Favored 'General case' 0 N--CA 1.445 -0.676 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.32 -178.166 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.14 -22.72 52.15 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.734 179.326 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.02 -28.77 73.3 Favored Glycine 0 N--CA 1.453 -0.201 0 C-N-CA 121.08 -0.581 . . . . 0.0 112.53 -178.533 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 26' ' ' ALA . . . . . 0.509 ' HB1' ' HB2' ' B' ' 78' ' ' GLN . . . -71.46 -19.88 62.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.307 0.575 . . . . 0.0 110.166 177.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 27' ' ' VAL . . . . . 0.522 HG12 ' HG2' ' A' ' 112' ' ' GLN . 2.3 t -90.34 -42.21 13.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.254 -0.884 . . . . 0.0 109.92 179.707 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 77.8 m-20 -67.17 -21.63 65.79 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.445 -0.798 . . . . 0.0 111.409 -175.185 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 6.5 ptp180 -88.83 3.9 49.56 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.937 0.399 . . . . 0.0 110.777 -179.363 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . 0.466 ' HB3' HD12 ' A' ' 108' ' ' LEU . 91.5 mt -75.1 -26.42 59.26 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.204 -178.821 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 11.2 p -78.59 1.77 21.51 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.248 0.547 . . . . 0.0 110.72 178.64 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 47.2 t -77.15 151.24 35.41 Favored 'General case' 0 N--CA 1.445 -0.687 0 N-CA-C 108.947 -0.761 . . . . 0.0 108.947 173.31 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.34 -16.77 49.41 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.895 0.378 . . . . 0.0 111.425 -178.16 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . 0.413 ' O ' ' HG3' ' B' ' 38' ' ' ARG . 27.6 mt-10 -55.72 -61.46 2.34 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.892 178.507 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 35' ' ' ALA . . . . . 0.519 ' O ' HG23 ' B' ' 39' ' ' VAL . . . -57.02 -51.8 67.82 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.665 179.619 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -58.05 -18.33 23.78 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 112.263 0.468 . . . . 0.0 112.263 -177.139 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 31.8 t -89.45 -27.98 20.02 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.384 178.274 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 38' ' ' ARG . . . . . 0.521 ' HD2' ' OE1' ' B' ' 82' ' ' GLU . 70.5 mtt180 -92.44 -47.44 7.16 Favored 'General case' 0 CA--C 1.515 -0.388 0 CA-C-O 121.938 0.875 . . . . 0.0 109.425 -176.151 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 39' ' ' VAL . . . . . 0.558 ' O ' HG23 ' B' ' 43' ' ' ILE . 59.9 t -57.52 -41.32 78.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 CA-C-N 114.02 -1.445 . . . . 0.0 110.673 -178.67 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 40' ' ' SER . . . . . 0.428 ' O ' HG12 ' B' ' 43' ' ' ILE . 65.2 p -72.78 -13.87 61.41 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.729 -177.453 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 35.3 t -90.84 -11.54 39.02 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.234 0.54 . . . . 0.0 110.399 -178.223 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 42' ' ' ASN . . . . . 0.474 ' HB3' HG13 ' B' ' 57' ' ' VAL . 43.4 m-80 -117.75 -6.12 11.08 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.307 -175.616 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 43' ' ' ILE . . . . . 0.558 HG23 ' O ' ' B' ' 39' ' ' VAL . 6.6 pt -56.75 -43.43 79.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.472 179.556 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 44' ' ' ALA . . . . . 0.509 ' N ' HG13 ' B' ' 43' ' ' ILE . . . -74.8 -15.65 60.74 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.081 0.467 . . . . 0.0 111.166 -174.382 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -78.97 -51.08 10.12 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.8 179.573 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 46' ' ' ILE . . . . . 0.413 HG21 ' HB3' ' B' ' 87' ' ' LEU . 34.2 mt -64.47 -33.61 64.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.512 179.483 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . 0.826 ' HB1' HD13 ' A' ' 96' ' ' ILE . . . -63.82 -25.78 68.33 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.415 179.222 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 38.9 m -99.37 -33.58 10.65 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.593 -175.579 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -97.36 -21.67 19.16 Favored Glycine 0 CA--C 1.517 0.215 0 C-N-CA 120.438 -0.887 . . . . 0.0 113.102 -178.064 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 74.43 -76.55 1.11 Allowed Glycine 0 N--CA 1.451 -0.334 0 N-CA-C 111.476 -0.65 . . . . 0.0 111.476 -178.763 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -123.2 -17.36 6.66 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-O 121.126 0.489 . . . . 0.0 110.57 179.066 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 7.7 m -72.2 -20.65 61.54 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.447 -177.686 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -90.42 -13.22 35.37 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.785 -176.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 54' ' ' LEU . . . . . 0.541 ' O ' HG13 ' B' ' 58' ' ' ILE . 37.4 mt -54.74 -58.63 13.45 Favored Pre-proline 0 C--N 1.326 -0.422 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.8 -177.566 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 55' ' ' PRO . . . . . 0.423 ' HD2' ' N ' ' B' ' 54' ' ' LEU . 19.6 Cg_endo -59.37 -22.93 68.0 Favored 'Trans proline' 0 C--N 1.353 0.804 0 C-N-CA 122.12 1.88 . . . . 0.0 112.417 -177.159 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 5.7 m -86.85 -40.25 15.08 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.213 0.53 . . . . 0.0 110.677 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . 0.474 HG13 ' HB3' ' B' ' 42' ' ' ASN . 42.3 t -79.24 -39.05 20.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.497 -173.217 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 58' ' ' ILE . . . . . 0.64 HG12 HD22 ' B' ' 83' ' ' LEU . 57.9 mt -59.04 -39.65 78.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.794 176.678 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 7.5 t -69.17 -38.22 78.6 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.088 -178.473 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 96.2 m-20 -61.03 -46.56 90.24 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.754 179.328 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 63.7 mt -74.75 -45.17 45.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 115.54 -0.755 . . . . 0.0 111.052 -178.789 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 62' ' ' TYR . . . . . 0.439 ' O ' HG23 ' B' ' 66' ' ' VAL . 53.8 t80 -56.29 -48.89 75.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.913 -179.253 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 32.3 t -60.61 -31.03 70.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.97 0.414 . . . . 0.0 110.444 179.124 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -73.6 -42.16 41.1 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.802 -0.714 . . . . 0.0 111.56 179.291 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 65' ' ' VAL . . . . . 0.693 HG12 HG11 ' B' ' 70' ' ' VAL . 96.0 t -66.51 -46.13 87.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-O 121.019 0.438 . . . . 0.0 110.92 178.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 66' ' ' VAL . . . . . 0.439 HG23 ' O ' ' B' ' 62' ' ' TYR . 98.9 t -62.87 -38.81 82.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.042 -179.005 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -73.18 -6.29 44.86 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.86 0.362 . . . . 0.0 111.668 -179.724 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 22.9 t -85.36 -14.65 45.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.932 0.396 . . . . 0.0 110.465 179.633 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 93.29 34.9 6.48 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.465 -0.874 . . . . 0.0 112.342 -179.281 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . 0.693 HG11 HG12 ' B' ' 65' ' ' VAL . 12.7 p -82.24 162.42 3.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 N-CA-C 110.133 -0.321 . . . . 0.0 110.133 177.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 71' ' ' SER . . . . . 0.4 ' N ' HG22 ' B' ' 70' ' ' VAL . 28.9 t -66.31 146.09 54.99 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 174.349 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 7.4 m -52.53 -55.93 18.76 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 112.834 0.679 . . . . 0.0 112.834 -170.811 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 73' ' ' ASN . . . . . 0.499 ' HB3' ' OH ' ' B' ' 23' ' ' TYR . 0.2 OUTLIER -79.43 -24.99 42.11 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.967 0.413 . . . . 0.0 110.358 -176.363 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -69.03 -28.28 66.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.984 0.421 . . . . 0.0 110.203 179.122 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -54.68 -43.8 72.78 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.393 178.465 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 76' ' ' LEU . . . . . 0.475 HD23 ' HB3' ' B' ' 118' ' ' TYR . 2.9 tm? -58.02 -43.74 86.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.449 -179.747 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 77' ' ' ILE . . . . . 0.636 ' O ' ' HG ' ' B' ' 81' ' ' LEU . 45.9 mm -65.79 -56.15 16.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.035 -177.306 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 78' ' ' GLN . . . . . 0.509 ' HB2' ' HB1' ' B' ' 26' ' ' ALA . 29.4 tt0 -58.05 -47.48 82.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.658 -0.246 . . . . 0.0 111.044 -179.663 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.91 -37.54 82.61 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.956 0.408 . . . . 0.0 110.787 -178.741 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 80' ' ' LEU . . . . . 0.415 HD23 ' HA ' ' B' ' 80' ' ' LEU . 3.6 mt -70.96 -44.83 65.24 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.913 178.65 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . 0.678 HD22 HG11 ' A' ' 115' ' ' VAL . 19.9 mt -63.9 -36.47 84.04 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 121.011 0.434 . . . . 0.0 110.682 -177.482 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 82' ' ' GLU . . . . . 0.521 ' OE1' ' HD2' ' B' ' 38' ' ' ARG . 50.6 mt-10 -63.76 -34.37 77.75 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.413 171.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 83' ' ' LEU . . . . . 0.64 HD22 HG12 ' B' ' 58' ' ' ILE . 23.6 tp -69.38 -46.33 67.18 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.873 0.368 . . . . 0.0 110.745 176.558 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 84' ' ' LEU . . . . . 0.414 ' O ' HG22 ' B' ' 88' ' ' VAL . 10.6 mp -59.62 -15.64 20.36 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.242 -179.626 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 85' ' ' SER . . . . . 0.416 ' OG ' HD13 ' A' ' 108' ' ' LEU . 30.3 m -91.46 -29.17 17.18 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.762 0.315 . . . . 0.0 110.802 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 86' ' ' ALA . . . . . 0.464 ' HB2' HG13 ' B' ' 39' ' ' VAL . . . -71.47 -43.91 65.72 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.407 0.622 . . . . 0.0 110.437 -177.128 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 87' ' ' LEU . . . . . 0.451 HD12 HG13 ' B' ' 88' ' ' VAL . 1.4 pp -80.19 -17.27 52.85 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.239 -0.891 . . . . 0.0 112.891 -172.08 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 88' ' ' VAL . . . . . 0.451 HG13 HD12 ' B' ' 87' ' ' LEU . 17.0 m -92.5 -24.88 5.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 C-N-CA 120.509 -0.476 . . . . 0.0 110.64 175.85 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 89' ' ' HIS . . . . . 0.418 ' CD2' HG22 ' A' ' 104' ' ' VAL . 77.3 t60 -66.14 -35.91 81.73 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.013 -0.54 . . . . 0.0 109.886 178.514 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 90' ' ' VAL . . . . . 0.526 ' HA ' HG11 ' A' ' 99' ' ' VAL . 22.3 m -65.92 -25.62 36.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.456 -175.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 91' ' ' LEU . . . . . 0.677 ' HA ' ' HB3' ' B' ' 94' ' ' ALA . 3.5 mm? -66.33 -20.22 66.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.813 0.34 . . . . 0.0 111.141 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 22.9 t -66.46 -22.29 66.2 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.855 179.162 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 93' ' ' SER . . . . . 0.604 ' HB3' HG12 ' A' ' 99' ' ' VAL . 23.1 t -121.85 11.44 10.39 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.613 0.72 . . . . 0.0 109.594 177.782 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 94' ' ' ALA . . . . . 0.677 ' HB3' ' HA ' ' B' ' 91' ' ' LEU . . . -108.26 95.92 6.0 Favored 'General case' 0 N--CA 1.446 -0.65 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.805 -179.324 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 16.7 t -77.03 87.26 3.54 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.538 -0.542 . . . . 0.0 109.538 177.663 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 96' ' ' ILE . . . . . 0.661 HD13 ' HB1' ' A' ' 47' ' ' ALA . 17.8 tt -67.78 144.6 14.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.22 -179.031 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 97' ' ' GLY . . . . . . . . . . . . . . . -92.87 -96.06 1.44 Allowed Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 120.847 -0.692 . . . . 0.0 112.369 -179.604 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 98' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -133.2 118.9 19.19 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.637 0.256 . . . . 0.0 110.728 -178.391 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 99' ' ' VAL . . . . . 0.44 HG11 ' HA ' ' A' ' 90' ' ' VAL . 4.2 m -111.4 128.41 67.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.773 177.374 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 100' ' ' SER . . . . . . . . . . . . . 26.1 m -94.96 151.98 18.73 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.225 179.383 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 101' ' ' SER . . . . . 0.469 ' HB3' ' HB2' ' A' ' 40' ' ' SER . 48.2 m -80.7 7.78 9.46 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.896 0.379 . . . . 0.0 111.902 -177.115 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 60.5 t -103.17 115.77 45.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 120.893 0.378 . . . . 0.0 110.371 -178.234 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . 123.02 -8.06 9.21 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.908 -0.663 . . . . 0.0 112.84 177.263 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 104' ' ' VAL . . . . . . . . . . . . . 38.3 t -61.69 -28.71 44.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 N-CA-C 111.597 0.221 . . . . 0.0 111.597 -177.48 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -46.41 -44.98 17.69 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.767 -179.725 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 36.0 t -69.07 -30.13 68.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.366 -177.646 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 20.3 m -71.22 -24.76 62.26 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.188 0.518 . . . . 0.0 110.123 -178.021 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 108' ' ' LEU . . . . . 0.518 HD11 HG21 ' A' ' 39' ' ' VAL . 4.5 mm? -68.34 -21.56 64.73 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.534 175.249 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 109' ' ' ASN . . . . . 0.545 ' N ' HD22 ' B' ' 109' ' ' ASN . 0.8 OUTLIER -78.22 -38.04 44.05 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.825 -177.735 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 110' ' ' VAL . . . . . . . . . . . . . 8.7 p -81.89 -27.58 9.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.428 -174.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 111' ' ' VAL . . . . . 0.418 HG12 ' O ' ' B' ' 108' ' ' LEU . 10.1 p -64.99 -33.34 63.04 Favored 'Isoleucine or valine' 0 C--O 1.236 0.355 0 CA-C-O 121.173 0.511 . . . . 0.0 110.192 178.04 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 112' ' ' GLN . . . . . 0.506 ' HG3' ' O ' ' B' ' 108' ' ' LEU . 25.4 mt-30 -64.08 -27.86 69.39 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.648 -0.706 . . . . 0.0 110.389 179.064 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 113' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -76.67 -29.95 56.57 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 114.992 -1.004 . . . . 0.0 110.932 -175.249 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 6.3 m -85.27 -41.71 15.31 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.593 -0.73 . . . . 0.0 112.019 -172.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 115' ' ' VAL . . . . . 0.672 HG11 HD22 ' A' ' 81' ' ' LEU . 14.7 p -106.72 -22.04 5.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 120.783 0.325 . . . . 0.0 111.646 -172.404 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 116' ' ' GLY . . . . . . . . . . . . . . . -60.35 -22.68 59.06 Favored Glycine 0 C--O 1.228 -0.257 0 CA-C-N 116.201 -0.454 . . . . 0.0 113.107 -176.161 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.54 -0.2 52.24 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 111.729 0.27 . . . . 0.0 111.729 -178.75 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 118' ' ' TYR . . . . . 0.475 ' HB3' HD23 ' B' ' 76' ' ' LEU . 82.8 m-85 -115.01 -37.31 4.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.856 0.36 . . . . 0.0 110.67 177.432 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 119' ' ' VAL . . . . . 0.442 HG21 HG21 ' A' ' 27' ' ' VAL . 35.9 m -85.24 -1.06 6.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.485 -177.852 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.128 0 CA-C-O 117.904 -1.498 . . . . 0.0 111.408 178.756 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 5.7 m . . . . . 0 N--CA 1.451 -0.41 0 CA-C-O 120.678 0.275 . . . . 0.0 110.75 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.437 ' CE1' ' HA ' ' A' ' 74' ' ' GLU . 0.1 OUTLIER -150.06 111.26 4.4 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 178.766 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.444 ' HB2' ' HA3' ' B' ' 120' ' ' GLY . . . -78.06 -15.9 58.5 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.755 -177.41 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.66 -30.68 78.35 Favored Glycine 0 N--CA 1.452 -0.29 0 N-CA-C 111.47 -0.652 . . . . 0.0 111.47 179.527 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.593 ' HB1' ' HB2' ' A' ' 78' ' ' GLN . . . -71.27 -11.39 60.89 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.189 0.519 . . . . 0.0 110.537 177.053 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.595 HG22 ' CD1' ' A' ' 81' ' ' LEU . 3.4 t -98.0 -43.17 11.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.866 -176.799 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 47.1 m-80 -62.0 -31.96 72.38 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-O 121.098 0.475 . . . . 0.0 110.949 -178.21 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 79.4 ttt180 -68.25 -13.99 62.65 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.639 -0.709 . . . . 0.0 111.695 -178.339 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.447 HD11 ' HB3' ' A' ' 81' ' ' LEU . 81.6 mt -68.7 -21.12 64.43 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.838 0.351 . . . . 0.0 111.638 -176.437 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 32.0 t -79.3 -3.19 44.89 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.054 -177.601 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 39.8 m -86.83 157.56 19.53 Favored 'General case' 0 N--CA 1.442 -0.873 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.134 176.302 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.59 -16.49 48.6 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.779 -178.258 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -52.32 -59.88 3.88 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.707 178.512 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.65 ' O ' HG23 ' A' ' 39' ' ' VAL . . . -62.73 -51.98 65.05 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.527 -0.761 . . . . 0.0 110.179 179.011 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -48.51 -38.14 19.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.993 -176.393 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 32.5 m -74.29 -20.72 60.03 Favored 'General case' 0 CA--C 1.539 0.534 0 N-CA-C 112.152 0.427 . . . . 0.0 112.152 -178.156 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.403 HH11 ' HD3' ' A' ' 38' ' ' ARG . 50.6 mtm-85 -99.01 -40.79 7.87 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.593 0.711 . . . . 0.0 109.808 -177.608 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.65 HG23 ' O ' ' A' ' 35' ' ' ALA . 35.2 t -65.47 -39.88 86.53 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.832 0 CA-C-N 114.677 -1.147 . . . . 0.0 110.915 -178.813 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 80.8 p -77.47 -3.72 41.85 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.843 0.354 . . . . 0.0 111.872 -177.304 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 15.4 t -94.69 -16.81 22.79 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.508 0.67 . . . . 0.0 109.848 179.193 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 42.4 m-80 -110.97 -3.08 15.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.224 -176.293 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.454 HG23 ' O ' ' A' ' 39' ' ' VAL . 3.3 pt -61.21 -34.48 60.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-O 121.185 0.516 . . . . 0.0 110.464 175.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.447 ' N ' HG13 ' A' ' 43' ' ' ILE . . . -83.81 1.92 40.7 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.068 -178.371 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -99.73 -51.68 3.67 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.241 177.579 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.439 HG21 ' HB3' ' A' ' 87' ' ' LEU . 34.0 mt -65.8 -33.34 62.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.749 -178.325 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.65 ' HB1' HD13 ' B' ' 96' ' ' ILE . . . -66.92 -14.44 62.79 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.607 179.181 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 44.6 t -98.17 -42.9 7.22 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.099 -177.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -99.05 -21.59 15.24 Favored Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.418 -0.896 . . . . 0.0 113.334 -175.751 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 72.9 -76.75 0.84 Allowed Glycine 0 N--CA 1.452 -0.297 0 N-CA-C 111.596 -0.602 . . . . 0.0 111.596 -178.138 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -114.34 -22.64 9.8 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-O 121.219 0.533 . . . . 0.0 110.151 179.486 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.7 m -72.82 -11.56 60.65 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.609 -179.29 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -91.7 -19.36 22.71 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.717 -178.683 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.537 HD11 HG11 ' B' ' 88' ' ' VAL . 51.0 mt -53.51 -58.93 10.78 Favored Pre-proline 0 CA--C 1.534 0.352 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.918 -176.216 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.45 ' HD3' ' HB2' ' A' ' 54' ' ' LEU . 38.5 Cg_endo -66.44 -7.95 19.26 Favored 'Trans proline' 0 C--N 1.353 0.793 0 C-N-CA 122.213 1.942 . . . . 0.0 112.862 -176.321 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 46.4 m -101.54 -38.67 7.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.979 0.419 . . . . 0.0 110.926 178.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 71.6 t -80.19 -40.8 20.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.41 -175.657 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.484 HG12 ' HG ' ' A' ' 83' ' ' LEU . 68.8 mt -58.18 -38.33 67.5 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.318 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.945 176.529 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 31.8 t -66.6 -41.33 88.62 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.108 -179.406 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 95.5 m-20 -59.97 -53.9 52.39 Favored 'General case' 0 C--O 1.231 0.117 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.049 178.735 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 54.9 mt -68.57 -43.85 83.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 115.502 -0.772 . . . . 0.0 111.581 -176.124 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.44 ' O ' HG23 ' A' ' 66' ' ' VAL . 58.9 t80 -55.98 -50.47 70.74 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.735 0.302 . . . . 0.0 110.731 -177.835 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 55.7 m -66.67 -20.94 66.09 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.475 -178.597 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -79.14 -39.69 18.75 Favored Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 120.519 -0.848 . . . . 0.0 111.415 176.461 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.645 HG12 HG11 ' A' ' 70' ' ' VAL . 84.9 t -72.02 -44.25 66.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-O 120.825 0.345 . . . . 0.0 111.322 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.44 HG23 ' O ' ' A' ' 62' ' ' TYR . 95.3 t -60.04 -36.79 69.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.751 0.31 . . . . 0.0 111.075 -178.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.56 -8.12 31.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.864 179.6 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 22.7 t -83.84 -12.45 55.57 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.94 -179.5 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 96.35 32.82 6.48 Favored Glycine 0 N--CA 1.453 -0.225 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.428 179.332 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.645 HG11 HG12 ' A' ' 65' ' ' VAL . 12.6 p -100.79 156.48 4.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-O 120.553 0.216 . . . . 0.0 110.494 178.345 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 45.4 t -65.91 153.16 42.8 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.596 -0.274 . . . . 0.0 110.37 177.484 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 4.8 m -59.61 -51.13 71.15 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 112.039 0.385 . . . . 0.0 112.039 -174.722 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -71.3 -30.43 66.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.97 0.414 . . . . 0.0 110.05 -176.515 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.437 ' HA ' ' CE1' ' A' ' 23' ' ' TYR . 31.5 tt0 -75.09 -33.27 61.62 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.146 0.498 . . . . 0.0 110.029 178.499 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.613 ' HB2' HG13 ' A' ' 70' ' ' VAL . . . -62.66 -39.81 95.07 Favored 'General case' 0 CA--C 1.517 -0.312 0 CA-C-N 115.762 -0.653 . . . . 0.0 110.816 175.866 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -53.2 -42.64 66.47 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.038 178.264 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.712 ' O ' ' HG ' ' A' ' 81' ' ' LEU . 45.3 mm -66.48 -58.32 6.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.045 -179.482 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . 0.593 ' HB2' ' HB1' ' A' ' 26' ' ' ALA . 24.0 tt0 -56.43 -46.25 80.37 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-O 120.608 0.242 . . . . 0.0 111.312 -179.769 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.66 -39.18 90.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.98 -178.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.496 ' O ' HD23 ' A' ' 84' ' ' LEU . 5.8 mt -70.01 -37.71 75.74 Favored 'General case' 0 C--O 1.221 -0.444 0 CA-C-O 120.829 0.347 . . . . 0.0 110.923 177.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.712 ' HG ' ' O ' ' A' ' 77' ' ' ILE . 81.6 mt -69.08 -33.35 73.39 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-O 120.819 0.343 . . . . 0.0 111.067 -179.743 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -75.06 -15.68 60.61 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.256 0.55 . . . . 0.0 110.561 172.837 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.484 ' HG ' HG12 ' A' ' 58' ' ' ILE . 3.4 tm? -85.31 -43.98 13.24 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 175.492 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.515 HD21 HD22 ' B' ' 84' ' ' LEU . 4.2 mm? -68.64 -9.18 48.36 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.275 -0.875 . . . . 0.0 112.024 -178.611 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 2.0 p -96.78 -32.1 12.3 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 120.876 0.369 . . . . 0.0 111.075 -179.331 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -66.0 -45.23 82.34 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.783 -179.467 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.489 HD12 HG13 ' A' ' 88' ' ' VAL . 1.3 pp -79.5 -17.73 53.48 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 112.997 0.74 . . . . 0.0 112.997 -172.396 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.489 HG13 HD12 ' A' ' 87' ' ' LEU . 16.9 m -91.5 -22.03 6.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 C-N-CA 120.19 -0.604 . . . . 0.0 110.592 176.623 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 67.8 t60 -70.3 -35.46 73.69 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 176.712 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.48 HG22 ' O ' ' A' ' 87' ' ' LEU . 19.0 m -64.86 -25.53 37.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.068 -177.589 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.62 ' HA ' ' HB3' ' A' ' 94' ' ' ALA . 2.8 mm? -63.7 -18.76 64.34 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.027 178.338 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 33.8 t -65.52 -23.55 66.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.74 178.272 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 6.7 t -127.68 11.55 6.74 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.665 0.745 . . . . 0.0 109.808 179.545 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.62 ' HB3' ' HA ' ' A' ' 91' ' ' LEU . . . -108.5 89.1 2.89 Favored 'General case' 0 N--CA 1.446 -0.646 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.275 178.585 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 11.5 t -75.54 87.11 2.65 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.691 -179.794 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.65 HD13 ' HB1' ' B' ' 47' ' ' ALA . 18.1 tt -66.82 149.17 11.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 115.183 -0.917 . . . . 0.0 111.764 -176.849 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -97.59 -106.91 2.5 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.509 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -124.52 117.67 24.88 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.82 0.343 . . . . 0.0 110.389 -179.418 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.491 HG11 ' HA ' ' B' ' 90' ' ' VAL . 6.1 m -102.41 142.09 17.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.049 -179.637 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 36.8 t -92.01 145.94 24.13 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.163 -178.384 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 5.7 p -82.35 -0.94 48.14 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.296 0.569 . . . . 0.0 110.346 176.606 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 48.8 t -94.67 107.19 19.08 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.28 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.966 -175.287 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 122.23 -2.41 10.57 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.681 177.298 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.436 ' O ' HD12 ' A' ' 108' ' ' LEU . 39.9 t -59.54 -35.98 62.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 120.465 0.174 . . . . 0.0 110.729 178.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . 0.407 ' HA ' HD12 ' A' ' 108' ' ' LEU . 9.6 t70 -54.51 -41.96 70.25 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 121.477 0.656 . . . . 0.0 109.688 179.181 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 6.0 m -72.07 -35.17 69.21 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 115.249 -0.887 . . . . 0.0 111.475 -177.56 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 59.8 m -64.46 -34.62 78.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.172 0.511 . . . . 0.0 110.039 177.153 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.658 ' O ' ' HG3' ' A' ' 112' ' ' GLN . 1.4 mt -61.72 -23.92 66.45 Favored 'General case' 0 C--O 1.221 -0.415 0 CA-C-N 115.604 -0.725 . . . . 0.0 111.025 177.681 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . 0.469 HD22 ' N ' ' A' ' 109' ' ' ASN . 0.9 OUTLIER -67.63 -31.82 72.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.075 0.464 . . . . 0.0 110.536 178.099 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 26.3 t -82.12 -37.87 15.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.844 -176.08 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.551 HG12 ' O ' ' A' ' 108' ' ' LEU . 7.6 p -61.61 -31.0 49.43 Favored 'Isoleucine or valine' 0 C--O 1.234 0.277 0 CA-C-O 121.384 0.611 . . . . 0.0 110.057 -178.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . 0.658 ' HG3' ' O ' ' A' ' 108' ' ' LEU . 25.1 mt-30 -66.07 -20.7 66.25 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.825 -179.053 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -87.79 -32.92 18.83 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.445 -175.7 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 12.9 m -81.52 -43.52 18.66 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.806 -173.1 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.472 HG12 ' O ' ' A' ' 111' ' ' VAL . 7.3 p -108.18 -22.2 5.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 120.811 0.338 . . . . 0.0 111.283 -174.675 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -59.06 -28.42 63.82 Favored Glycine 0 CA--C 1.518 0.26 0 C-N-CA 121.279 -0.486 . . . . 0.0 113.002 -177.528 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . 0.432 HE21 ' HB2' ' A' ' 117' ' ' GLN . 0.0 OUTLIER -82.15 -5.22 58.3 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 111.792 0.293 . . . . 0.0 111.792 -178.593 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 89.3 m-85 -106.35 -28.7 10.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.945 0.402 . . . . 0.0 110.649 177.783 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.474 ' O ' ' HB3' ' B' ' 22' ' ' SER . 35.1 m . . . . . 0 C--N 1.327 -0.371 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.979 177.653 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 22' ' ' SER . . . . . 0.474 ' HB3' ' O ' ' A' ' 119' ' ' VAL . 30.5 m . . . . . 0 N--CA 1.446 -0.657 0 CA-C-O 120.778 0.323 . . . . 0.0 110.443 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 23' ' ' TYR . . . . . 0.471 ' CE1' ' HA ' ' B' ' 74' ' ' GLU . 0.2 OUTLIER -150.04 120.05 7.19 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.278 -179.219 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -83.0 -19.87 36.17 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.101 179.667 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -67.69 -27.51 73.6 Favored Glycine 0 CA--C 1.508 -0.394 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.298 -177.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 26' ' ' ALA . . . . . 0.512 ' HB1' ' HB2' ' B' ' 78' ' ' GLN . . . -70.36 -14.04 62.4 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.175 0.512 . . . . 0.0 109.925 176.266 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 27' ' ' VAL . . . . . 0.48 HG12 ' HG2' ' A' ' 112' ' ' GLN . 2.6 t -96.24 -45.65 13.01 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.439 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.548 -178.625 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 58.5 m-80 -63.05 -23.17 67.32 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-O 120.873 0.368 . . . . 0.0 111.486 -176.045 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 4.3 ptm180 -92.41 8.96 36.23 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.047 0.451 . . . . 0.0 110.871 -174.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . 0.612 HD11 ' HB3' ' B' ' 81' ' ' LEU . 95.2 mt -73.57 -25.89 60.57 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.94 179.309 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 13.6 t -84.89 20.64 1.78 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.278 0.561 . . . . 0.0 110.134 177.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 69.7 m -94.68 151.18 19.5 Favored 'General case' 0 N--CA 1.44 -0.968 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.763 174.775 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -56.98 -23.39 45.52 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.781 -178.35 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -57.99 -54.68 44.22 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.439 178.151 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 35' ' ' ALA . . . . . 0.648 ' O ' HG23 ' B' ' 39' ' ' VAL . . . -67.76 -53.95 23.19 Favored 'General case' 0 CA--C 1.514 -0.426 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.729 -179.754 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.19 -37.43 34.96 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.03 0.381 . . . . 0.0 112.03 -175.406 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 29.6 m -80.08 -12.22 59.7 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 112.377 0.51 . . . . 0.0 112.377 -178.716 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 34.8 mtm180 -98.81 -47.84 5.15 Favored 'General case' 0 CA--C 1.515 -0.396 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 177.078 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 39' ' ' VAL . . . . . 0.648 HG23 ' O ' ' B' ' 35' ' ' ALA . 24.4 t -60.09 -36.83 70.09 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 CA-C-N 114.535 -1.211 . . . . 0.0 111.084 -178.568 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 60.6 p -72.98 -10.36 59.72 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.096 0.474 . . . . 0.0 111.332 179.611 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 22.8 t -92.61 -14.35 28.33 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.791 0.805 . . . . 0.0 109.149 177.077 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 42' ' ' ASN . . . . . 0.455 ' OD1' HD11 ' B' ' 61' ' ' ILE . 11.4 m120 -96.1 -27.3 15.14 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.063 -0.971 . . . . 0.0 109.967 -174.65 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 43' ' ' ILE . . . . . 0.586 HG13 ' N ' ' B' ' 44' ' ' ALA . 5.8 pt -56.56 -40.61 69.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 115.408 -0.814 . . . . 0.0 111.427 -178.845 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 44' ' ' ALA . . . . . 0.586 ' N ' HG13 ' B' ' 43' ' ' ILE . . . -81.72 -8.61 59.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.05 0.452 . . . . 0.0 111.077 -176.612 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -94.98 -49.46 5.54 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.094 -179.584 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 57.8 mt -65.51 -34.8 72.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.324 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . 0.65 ' HB1' HD13 ' A' ' 96' ' ' ILE . . . -68.74 -6.53 27.02 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.676 179.211 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 30.6 t -103.1 -11.31 18.18 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.797 -0.183 . . . . 0.0 111.4 -177.047 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -140.55 -27.3 0.21 Allowed Glycine 0 C--N 1.33 0.222 0 C-N-CA 119.979 -1.105 . . . . 0.0 113.414 -176.75 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 86.26 -73.07 2.57 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 121.145 -0.55 . . . . 0.0 111.728 -178.369 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -118.04 -21.88 8.08 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.796 0.331 . . . . 0.0 111.167 -179.255 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 6.1 m -70.2 -20.41 63.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.228 0.537 . . . . 0.0 111.047 -176.408 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -90.27 -13.72 34.75 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.127 -176.684 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 54' ' ' LEU . . . . . 0.464 HD11 HG11 ' A' ' 88' ' ' VAL . 39.9 mt -56.11 -57.99 19.05 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-N 116.069 -0.514 . . . . 0.0 112.022 -176.011 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 55' ' ' PRO . . . . . 0.405 ' HD2' ' N ' ' B' ' 54' ' ' LEU . 19.7 Cg_endo -60.31 -26.82 83.57 Favored 'Trans proline' 0 C--N 1.353 0.781 0 C-N-CA 121.89 1.727 . . . . 0.0 112.669 -177.678 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 33.7 m -86.69 -23.95 25.39 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.062 0.458 . . . . 0.0 111.112 -178.372 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 42.8 t -92.99 -42.17 13.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.868 -177.267 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 58' ' ' ILE . . . . . 0.452 HG12 ' HG ' ' B' ' 83' ' ' LEU . 63.7 mt -61.08 -38.9 80.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.802 0.334 . . . . 0.0 110.522 179.503 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 5.6 t -65.47 -36.99 85.53 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.219 -0.446 . . . . 0.0 109.823 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 -62.82 -51.08 68.44 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.807 177.543 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . 0.455 HD11 ' OD1' ' B' ' 42' ' ' ASN . 46.7 mt -65.64 -47.3 86.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 115.648 -0.705 . . . . 0.0 111.215 -178.065 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 62' ' ' TYR . . . . . 0.476 ' O ' HG23 ' B' ' 66' ' ' VAL . 54.6 t80 -56.91 -47.96 79.34 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.787 0.327 . . . . 0.0 110.433 -178.66 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 23.0 m -64.02 -25.15 67.99 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.031 -0.532 . . . . 0.0 111.052 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -78.14 -43.37 13.66 Favored Glycine 0 N--CA 1.449 -0.473 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 176.203 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 65' ' ' VAL . . . . . 0.717 HG12 HG11 ' B' ' 70' ' ' VAL . 76.0 t -64.56 -46.86 91.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 115.285 -0.457 . . . . 0.0 111.084 -179.442 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 66' ' ' VAL . . . . . 0.476 HG23 ' O ' ' B' ' 62' ' ' TYR . 80.3 t -62.09 -40.0 85.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.949 -179.826 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -69.03 -13.87 62.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.678 -179.225 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 56.9 m -73.05 -26.24 61.22 Favored 'General case' 0 N--CA 1.441 -0.881 0 CA-C-O 120.88 0.371 . . . . 0.0 110.94 179.288 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 104.1 39.24 2.51 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.659 -0.782 . . . . 0.0 111.855 -176.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . 0.717 HG11 HG12 ' B' ' 65' ' ' VAL . 13.6 p -97.08 163.34 2.45 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 N-CA-C 110.284 -0.265 . . . . 0.0 110.284 179.411 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 71' ' ' SER . . . . . 0.413 ' N ' HG22 ' B' ' 70' ' ' VAL . 1.1 m -66.47 153.09 43.78 Favored 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 110.146 -0.316 . . . . 0.0 110.146 175.049 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 15.5 m -56.34 -56.36 22.08 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 112.718 0.636 . . . . 0.0 112.718 -173.145 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 73' ' ' ASN . . . . . 0.412 ' HB3' ' OH ' ' B' ' 23' ' ' TYR . 0.2 OUTLIER -79.44 -22.85 43.64 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.105 0.479 . . . . 0.0 110.243 -176.189 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 74' ' ' GLU . . . . . 0.471 ' HA ' ' CE1' ' B' ' 23' ' ' TYR . 32.4 tt0 -70.84 -29.28 65.37 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.917 178.861 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . 0.433 ' HB2' HG13 ' B' ' 70' ' ' VAL . . . -61.1 -39.82 91.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.324 -0.853 . . . . 0.0 111.11 176.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 76' ' ' LEU . . . . . 0.549 HD23 ' HB3' ' B' ' 118' ' ' TYR . 2.7 tm? -56.28 -47.32 78.85 Favored 'General case' 0 CA--C 1.518 -0.257 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.977 179.594 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 77' ' ' ILE . . . . . 0.717 ' O ' ' HG ' ' B' ' 81' ' ' LEU . 41.5 mm -62.04 -57.74 10.7 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-N 115.284 -0.871 . . . . 0.0 110.953 -177.835 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 78' ' ' GLN . . . . . 0.512 ' HB2' ' HB1' ' B' ' 26' ' ' ALA . 36.3 tt0 -57.13 -46.48 82.63 Favored 'General case' 0 C--O 1.234 0.263 0 O-C-N 122.997 0.186 . . . . 0.0 111.282 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -59.68 -39.05 83.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.893 0.378 . . . . 0.0 110.878 -179.034 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 80' ' ' LEU . . . . . 0.696 ' O ' ' HG ' ' B' ' 84' ' ' LEU . 7.1 mt -72.11 -43.09 65.29 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.141 178.1 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . 0.717 ' HG ' ' O ' ' B' ' 77' ' ' ILE . 68.3 mt -58.53 -42.52 87.95 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.909 0.385 . . . . 0.0 111.007 -179.597 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 56.9 mt-10 -64.91 -33.57 76.34 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.477 176.279 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 83' ' ' LEU . . . . . 0.452 ' HG ' HG12 ' B' ' 58' ' ' ILE . 3.4 tm? -69.61 -39.62 77.11 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.608 -0.516 . . . . 0.0 109.608 177.883 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 84' ' ' LEU . . . . . 0.696 ' HG ' ' O ' ' B' ' 80' ' ' LEU . 12.8 mt -65.09 -17.64 64.63 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.202 -177.852 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 33.8 m -91.98 -32.16 15.34 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.001 0.429 . . . . 0.0 110.951 -173.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 86' ' ' ALA . . . . . 0.415 ' O ' HG13 ' B' ' 90' ' ' VAL . . . -67.41 -41.77 84.35 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.027 -176.661 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 87' ' ' LEU . . . . . 0.479 HD12 ' N ' ' B' ' 88' ' ' VAL . 1.3 pp -82.71 -20.24 36.47 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 112.934 0.716 . . . . 0.0 112.934 -172.23 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 88' ' ' VAL . . . . . 0.537 HG11 HD11 ' A' ' 54' ' ' LEU . 15.9 m -89.06 -22.49 6.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 C-N-CA 120.175 -0.61 . . . . 0.0 110.758 177.25 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 89' ' ' HIS . . . . . . . . . . . . . 60.7 t60 -69.18 -37.96 78.43 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.049 177.016 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 90' ' ' VAL . . . . . 0.491 ' HA ' HG11 ' A' ' 99' ' ' VAL . 25.7 m -66.57 -28.36 43.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 N-CA-C 112.172 0.434 . . . . 0.0 112.172 -174.485 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 91' ' ' LEU . . . . . 0.596 ' HA ' ' HB3' ' B' ' 94' ' ' ALA . 2.3 mm? -62.59 -21.76 65.86 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-O 120.802 0.334 . . . . 0.0 111.082 -179.737 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 13.9 t -63.68 -24.17 67.67 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.164 -178.642 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 93' ' ' SER . . . . . 0.444 ' HB3' HG12 ' A' ' 99' ' ' VAL . 13.0 t -125.93 12.47 7.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.382 0.611 . . . . 0.0 110.043 178.311 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 94' ' ' ALA . . . . . 0.596 ' HB3' ' HA ' ' B' ' 91' ' ' LEU . . . -103.11 98.16 8.14 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.137 177.09 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 23.1 t -75.42 92.05 2.8 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.127 0.489 . . . . 0.0 109.708 179.02 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 96' ' ' ILE . . . . . 0.65 HD13 ' HB1' ' A' ' 47' ' ' ALA . 20.4 tt -73.47 145.62 11.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.968 -178.581 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 97' ' ' GLY . . . . . . . . . . . . . . . -92.72 -113.39 2.12 Favored Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.858 -0.687 . . . . 0.0 112.098 177.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 98' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -119.98 117.02 26.95 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.956 0.408 . . . . 0.0 110.593 -178.393 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 99' ' ' VAL . . . . . 0.519 ' CG1' HD11 ' B' ' 96' ' ' ILE . 11.6 m -99.45 151.9 4.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.647 178.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 100' ' ' SER . . . . . . . . . . . . . 22.3 t -120.17 161.28 21.32 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.155 -176.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 11.9 p -81.63 -0.06 40.78 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.066 0.46 . . . . 0.0 110.943 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 48.6 t -91.09 111.02 23.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.25 -175.749 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . 121.16 -12.21 9.78 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.914 173.634 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 104' ' ' VAL . . . . . . . . . . . . . 18.2 t -58.95 -33.93 51.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 N-CA-C 110.18 -0.304 . . . . 0.0 110.18 179.283 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -53.12 -43.23 66.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.267 178.086 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 25.8 m -80.02 -35.61 37.06 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.169 -178.449 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 31.3 m -59.92 -34.82 73.72 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 121.333 0.587 . . . . 0.0 110.337 177.446 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 108' ' ' LEU . . . . . 0.568 ' O ' ' HG3' ' B' ' 112' ' ' GLN . 3.1 mt -62.04 -27.51 68.94 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.523 -0.762 . . . . 0.0 111.354 177.459 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 109' ' ' ASN . . . . . 0.449 ' N ' HD22 ' B' ' 109' ' ' ASN . 0.9 OUTLIER -68.55 -25.71 65.05 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.075 0.464 . . . . 0.0 110.135 178.501 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 110' ' ' VAL . . . . . . . . . . . . . 34.4 t -84.86 -39.37 14.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.952 -177.097 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 111' ' ' VAL . . . . . 0.494 HG12 ' O ' ' B' ' 108' ' ' LEU . 7.8 p -62.78 -28.73 45.49 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.299 0 CA-C-O 121.31 0.576 . . . . 0.0 110.439 -178.836 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 112' ' ' GLN . . . . . 0.568 ' HG3' ' O ' ' B' ' 108' ' ' LEU . 26.3 mt-30 -68.76 -30.45 69.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.852 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 113' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -72.64 -39.0 67.53 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.365 -0.834 . . . . 0.0 110.447 -175.159 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 5.9 m -74.08 -41.92 60.94 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.303 -0.862 . . . . 0.0 112.324 -169.751 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 115' ' ' VAL . . . . . 0.42 HG11 ' CD2' ' A' ' 81' ' ' LEU . 12.6 p -113.1 -17.88 8.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-O 120.807 0.337 . . . . 0.0 111.823 -173.461 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 116' ' ' GLY . . . . . . . . . . . . . . . -56.29 -31.4 59.44 Favored Glycine 0 C--O 1.226 -0.381 0 C-N-CA 121.167 -0.539 . . . . 0.0 113.034 -178.479 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.07 -0.65 40.82 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 111.78 0.289 . . . . 0.0 111.78 -176.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 118' ' ' TYR . . . . . 0.549 ' HB3' HD23 ' B' ' 76' ' ' LEU . 64.7 m-85 -112.11 -23.16 10.61 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.1 0.476 . . . . 0.0 110.5 178.582 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 119' ' ' VAL . . . . . . . . . . . . . 34.4 m -95.52 -5.05 10.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.347 175.457 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 120' ' ' GLY . . . . . 0.444 ' HA3' ' HB2' ' A' ' 24' ' ' ALA . . . . . . . . 0 C--O 1.248 0.989 0 CA-C-O 118.564 -1.131 . . . . 0.0 112.243 179.186 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 34.2 m . . . . . 0 N--CA 1.451 -0.401 0 CA-C-O 120.803 0.335 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.598 ' CE1' ' HA ' ' A' ' 74' ' ' GLU . 0.0 OUTLIER -152.14 121.94 7.0 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 179.443 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -81.09 -21.2 40.15 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.651 -176.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.412 ' HA2' HD22 ' A' ' 28' ' ' ASN . . . -62.13 -32.52 82.72 Favored Glycine 0 CA--C 1.511 -0.194 0 C-N-CA 120.996 -0.621 . . . . 0.0 112.205 179.716 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.502 ' HB1' ' HB2' ' A' ' 78' ' ' GLN . . . -69.87 -11.98 61.28 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.101 0.477 . . . . 0.0 110.477 178.46 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.517 HG12 ' HG2' ' B' ' 112' ' ' GLN . 3.4 t -96.76 -42.4 11.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.537 -178.418 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.412 HD22 ' HA2' ' A' ' 25' ' ' GLY . 47.2 m-80 -64.96 -33.99 77.34 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 121.039 0.447 . . . . 0.0 110.723 -178.226 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 16.8 ttp180 -59.47 -18.06 36.64 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 115.664 -0.698 . . . . 0.0 112.26 179.587 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.627 HD11 ' HB3' ' A' ' 81' ' ' LEU . 64.1 mt -68.24 -27.41 66.33 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.566 -177.266 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 32.4 t -77.95 -2.9 39.18 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.994 -177.385 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 66.4 m -85.19 155.08 21.58 Favored 'General case' 0 N--CA 1.44 -0.933 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 174.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.79 -16.18 57.01 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.737 -175.847 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -57.43 -55.33 36.15 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.756 179.462 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.551 ' O ' HG23 ' A' ' 39' ' ' VAL . . . -60.79 -47.79 84.75 Favored 'General case' 0 CA--C 1.515 -0.39 0 CA-C-O 120.9 0.381 . . . . 0.0 110.059 176.841 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -56.63 -17.21 7.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.863 -178.425 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 45.1 m -94.73 -16.52 22.99 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 112.26 0.467 . . . . 0.0 112.26 179.395 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 62.2 mtp85 -103.01 -42.89 5.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.757 0.789 . . . . 0.0 109.443 178.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.551 HG23 ' O ' ' A' ' 35' ' ' ALA . 40.7 t -61.66 -40.77 87.86 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-N 114.772 -1.104 . . . . 0.0 111.04 -179.648 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 84.0 p -75.32 -8.27 56.21 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.956 0.408 . . . . 0.0 111.419 -178.132 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 33.6 t -88.76 -16.95 30.89 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.271 0.558 . . . . 0.0 109.836 179.228 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 46.6 m-80 -116.28 -1.68 12.3 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.444 -173.718 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.46 HG13 ' N ' ' A' ' 44' ' ' ALA . 4.0 pt -58.76 -41.73 83.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.055 177.455 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.46 ' N ' HG13 ' A' ' 43' ' ' ILE . . . -77.46 -16.05 58.98 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.939 0.399 . . . . 0.0 110.726 -176.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -78.14 -51.07 10.82 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.244 -179.531 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.535 HG21 ' HB3' ' A' ' 87' ' ' LEU . 45.3 mt -68.26 -31.01 49.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.302 179.728 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.688 ' HB1' HD13 ' B' ' 96' ' ' ILE . . . -62.91 -28.17 69.87 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.008 178.544 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 36.3 t -95.58 -51.06 4.69 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.133 -178.335 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -80.09 -24.56 59.36 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.532 -0.842 . . . . 0.0 113.181 -175.265 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 72.15 -78.99 0.65 Allowed Glycine 0 N--CA 1.449 -0.466 0 N-CA-C 111.765 -0.534 . . . . 0.0 111.765 -179.06 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -116.22 -22.48 8.86 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 115.151 -0.524 . . . . 0.0 110.543 179.772 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 31.0 t -74.45 -14.42 60.84 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.253 0.549 . . . . 0.0 110.525 -178.18 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -89.24 -17.8 28.31 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.77 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.469 HD11 HG11 ' B' ' 88' ' ' VAL . 40.4 mt -54.4 -57.25 19.44 Favored Pre-proline 0 C--N 1.326 -0.438 0 CA-C-N 116.104 -0.498 . . . . 0.0 112.04 -175.779 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.449 ' HD2' ' N ' ' A' ' 54' ' ' LEU . 18.4 Cg_endo -60.88 -22.34 73.71 Favored 'Trans proline' 0 C--N 1.351 0.679 0 C-N-CA 122.221 1.947 . . . . 0.0 112.481 -176.807 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 15.2 m -88.02 -42.25 12.55 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.986 0.422 . . . . 0.0 110.502 -179.695 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 74.7 t -76.38 -41.41 35.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.322 -174.187 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.534 HG12 ' HG ' ' A' ' 83' ' ' LEU . 55.6 mt -57.63 -40.71 76.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.294 176.753 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 4.4 t -70.35 -39.4 74.69 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.14 -178.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 88.3 m-20 -58.64 -44.49 90.06 Favored 'General case' 0 CA--C 1.517 -0.309 0 CA-C-O 121.337 0.589 . . . . 0.0 110.828 178.464 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.493 HG21 ' HB2' ' A' ' 82' ' ' GLU . 62.4 mt -76.08 -47.53 31.33 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.108 -179.256 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.459 ' O ' HG23 ' A' ' 66' ' ' VAL . 53.3 t80 -52.75 -55.34 23.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.973 -178.669 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 8.1 t -63.47 -29.73 70.96 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.515 -177.202 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -69.82 -34.84 72.24 Favored Glycine 0 N--CA 1.448 -0.511 0 C-N-CA 120.923 -0.656 . . . . 0.0 112.176 -178.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.539 HG12 HG11 ' A' ' 70' ' ' VAL . 39.9 t -81.95 -40.45 17.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 120.771 0.32 . . . . 0.0 110.73 179.83 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.459 HG23 ' O ' ' A' ' 62' ' ' TYR . 98.4 t -59.18 -36.6 63.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.86 179.549 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.69 -16.61 50.45 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.849 179.418 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 20.1 t -78.84 -22.2 46.48 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.839 0.352 . . . . 0.0 110.612 179.772 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 106.14 30.93 4.27 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.559 -0.829 . . . . 0.0 112.918 178.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.591 HG13 ' HB2' ' A' ' 75' ' ' ALA . 13.9 p -95.35 158.15 3.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 177.586 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 48.0 t -65.08 144.94 56.92 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.979 -0.378 . . . . 0.0 109.979 175.569 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 4.2 p -59.4 -41.74 90.13 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 112.173 0.434 . . . . 0.0 112.173 -176.216 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -69.57 -35.6 75.52 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.84 0.352 . . . . 0.0 110.352 -177.357 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.598 ' HA ' ' CE1' ' A' ' 23' ' ' TYR . 31.4 tt0 -77.89 -32.57 51.92 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.18 0.514 . . . . 0.0 109.963 178.859 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.591 ' HB2' HG13 ' A' ' 70' ' ' VAL . . . -61.65 -39.15 90.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.544 174.629 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.546 HD23 ' HB3' ' A' ' 118' ' ' TYR . 2.7 tm? -51.21 -52.67 42.25 Favored 'General case' 0 CA--C 1.517 -0.297 0 O-C-N 123.747 0.654 . . . . 0.0 109.927 178.129 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.745 ' O ' ' HG ' ' A' ' 81' ' ' LEU . 37.8 mm -58.9 -57.41 11.37 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.194 -177.786 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . 0.502 ' HB2' ' HB1' ' A' ' 26' ' ' ALA . 10.3 tt0 -56.61 -46.14 81.08 Favored 'General case' 0 N--CA 1.465 0.286 0 C-N-CA 121.179 -0.208 . . . . 0.0 111.373 179.82 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -59.09 -39.43 82.18 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.834 0.35 . . . . 0.0 110.814 179.732 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.477 ' O ' HD23 ' A' ' 84' ' ' LEU . 3.4 mm? -69.59 -37.12 76.79 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.049 177.005 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.745 ' HG ' ' O ' ' A' ' 77' ' ' ILE . 63.4 mt -68.45 -37.93 80.65 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 120.74 0.305 . . . . 0.0 110.84 -179.457 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.493 ' HB2' HG21 ' A' ' 61' ' ' ILE . 46.7 mt-10 -71.51 -21.0 61.98 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.355 0.598 . . . . 0.0 110.595 175.147 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.534 ' HG ' HG12 ' A' ' 58' ' ' ILE . 3.4 tm? -79.5 -45.87 18.49 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.629 176.581 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.504 HD22 HD12 ' A' ' 83' ' ' LEU . 4.5 mm? -74.8 0.76 14.35 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.791 -0.64 . . . . 0.0 112.116 -176.812 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.9 p -101.78 -30.6 11.2 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.984 0.421 . . . . 0.0 110.741 177.757 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.428 ' HB2' HG13 ' A' ' 39' ' ' VAL . . . -66.33 -47.91 71.97 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.291 0.567 . . . . 0.0 110.828 179.762 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.535 ' HB3' HG21 ' A' ' 46' ' ' ILE . 1.1 pp -77.21 -17.16 58.71 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 113.165 0.802 . . . . 0.0 113.165 -171.835 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.461 HG11 HD11 ' B' ' 54' ' ' LEU . 16.2 m -91.4 -19.91 6.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 C-N-CA 120.242 -0.583 . . . . 0.0 110.541 177.099 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 59.5 t60 -73.3 -37.2 66.3 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 176.824 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.414 ' HB ' ' CD1' ' B' ' 96' ' ' ILE . 26.8 m -66.28 -25.94 36.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.71 -175.451 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.642 ' HA ' ' HB3' ' A' ' 94' ' ' ALA . 2.9 mm? -66.65 -20.43 65.99 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.651 0.263 . . . . 0.0 111.061 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 32.3 t -66.63 -17.96 65.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.763 0.316 . . . . 0.0 110.844 -179.652 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.9 t -131.09 17.08 5.06 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.621 0.724 . . . . 0.0 109.674 177.156 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.642 ' HB3' ' HA ' ' A' ' 91' ' ' LEU . . . -107.45 96.53 6.47 Favored 'General case' 0 N--CA 1.446 -0.647 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.277 178.222 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 31.4 t -72.18 87.21 1.09 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.804 179.592 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.703 HD13 ' HB1' ' B' ' 47' ' ' ALA . 20.8 tt -71.04 148.76 10.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.796 -178.193 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -101.08 -114.49 3.77 Favored Glycine 0 C--N 1.334 0.417 0 CA-C-N 116.088 -0.505 . . . . 0.0 112.425 179.496 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 10.1 t30 -114.54 111.83 21.99 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.78 0.324 . . . . 0.0 110.516 -179.144 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.549 ' CG1' HD11 ' A' ' 96' ' ' ILE . 7.3 m -95.74 137.72 23.11 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-O 121.216 0.532 . . . . 0.0 111.21 -179.701 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.445 ' HB2' HG12 ' A' ' 102' ' ' VAL . 21.8 p -87.7 138.78 31.17 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.494 -0.775 . . . . 0.0 110.89 -177.701 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 5.5 p -86.62 32.11 0.66 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.185 0.517 . . . . 0.0 110.542 178.666 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.445 HG12 ' HB2' ' A' ' 100' ' ' SER . 10.3 p -139.93 142.48 32.0 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.556 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 -178.562 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 99.58 -10.06 60.84 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.887 -0.673 . . . . 0.0 111.687 -177.436 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.407 ' O ' HD12 ' A' ' 108' ' ' LEU . 25.8 t -59.78 -32.18 48.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.553 0.216 . . . . 0.0 110.71 177.525 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -52.03 -44.81 64.35 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 121.744 0.783 . . . . 0.0 110.1 177.47 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 9.5 m -71.04 -36.65 72.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.159 -0.928 . . . . 0.0 111.066 -179.223 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 26.0 m -63.83 -37.18 86.43 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.934 0.397 . . . . 0.0 110.95 179.787 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.678 ' O ' HG12 ' A' ' 111' ' ' VAL . 1.6 mt -61.12 -34.1 74.44 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.471 179.847 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 11.0 m-80 -61.21 -27.64 68.57 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.979 0.419 . . . . 0.0 111.221 176.02 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 30.1 t -81.78 -37.19 14.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.746 -178.166 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.678 HG12 ' O ' ' A' ' 108' ' ' LEU . 6.3 p -65.62 -30.14 49.21 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.234 0 CA-C-O 121.377 0.608 . . . . 0.0 109.897 -179.761 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . 0.658 ' HG3' ' O ' ' A' ' 108' ' ' LEU . 21.7 mt-30 -67.33 -25.44 66.01 Favored 'General case' 0 CA--C 1.521 -0.149 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.034 178.656 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -79.37 -33.16 43.09 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.243 -0.89 . . . . 0.0 110.418 -178.178 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 5.2 m -78.76 -39.29 36.51 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.341 -0.845 . . . . 0.0 112.21 -171.086 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 14.8 p -123.64 -14.21 5.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 120.961 0.41 . . . . 0.0 111.585 -173.305 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -59.41 -28.44 64.74 Favored Glycine 0 C--O 1.229 -0.203 0 C-N-CA 121.123 -0.56 . . . . 0.0 112.833 -177.811 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.44 1.65 50.59 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.794 0.33 . . . . 0.0 111.528 -179.241 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . 0.546 ' HB3' HD23 ' A' ' 76' ' ' LEU . 66.3 m-85 -111.5 -27.28 8.66 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.956 0.407 . . . . 0.0 110.334 178.101 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.478 ' O ' ' HB3' ' B' ' 22' ' ' SER . 35.8 m . . . . . 0 C--N 1.328 -0.335 0 CA-C-O 121.368 0.604 . . . . 0.0 110.257 173.272 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 22' ' ' SER . . . . . 0.478 ' HB3' ' O ' ' A' ' 119' ' ' VAL . 15.4 m . . . . . 0 N--CA 1.446 -0.663 0 N-CA-C 110.112 -0.329 . . . . 0.0 110.112 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -149.22 126.43 11.4 Favored 'General case' 0 N--CA 1.446 -0.646 0 CA-C-O 120.844 0.354 . . . . 0.0 110.595 -176.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . 0.459 ' HA ' HG23 ' B' ' 27' ' ' VAL . . . -86.65 -16.21 37.32 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.084 179.16 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -66.19 -24.3 71.87 Favored Glycine 0 C--N 1.33 0.197 0 C-N-CA 120.974 -0.631 . . . . 0.0 112.414 -178.686 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 26' ' ' ALA . . . . . 0.517 ' HB1' ' HB2' ' B' ' 78' ' ' GLN . . . -76.7 -18.7 58.37 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.167 0.508 . . . . 0.0 110.473 177.185 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 27' ' ' VAL . . . . . 0.537 HG12 ' HG2' ' A' ' 112' ' ' GLN . 1.9 t -93.03 -45.79 13.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.575 -0.738 . . . . 0.0 110.602 -176.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 58.3 m-20 -63.22 -25.15 68.2 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.542 -0.753 . . . . 0.0 111.482 -173.199 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 29' ' ' ARG . . . . . 0.413 ' HD2' ' OE1' ' B' ' 78' ' ' GLN . 17.7 ptp180 -84.17 0.25 49.37 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.417 -176.474 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . 0.543 HD11 ' HB3' ' B' ' 81' ' ' LEU . 85.3 mt -75.64 -21.35 57.79 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.096 0.474 . . . . 0.0 110.809 -179.446 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 38.9 t -80.71 12.82 2.91 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.301 0.572 . . . . 0.0 110.358 179.6 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 60.4 m -100.79 151.05 22.15 Favored 'General case' 0 N--CA 1.437 -1.118 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.144 175.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.18 -19.22 62.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.733 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -52.57 -56.92 11.9 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.489 176.231 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 35' ' ' ALA . . . . . 0.704 ' O ' HG23 ' B' ' 39' ' ' VAL . . . -61.03 -53.33 58.58 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.187 176.732 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -49.79 -31.99 12.93 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.886 -176.286 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 55.9 m -72.9 -28.94 62.77 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.108 -0.497 . . . . 0.0 112.025 -179.215 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 49.3 mtp85 -95.01 -40.66 9.54 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.598 0.714 . . . . 0.0 109.356 -176.569 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 39' ' ' VAL . . . . . 0.704 HG23 ' O ' ' B' ' 35' ' ' ALA . 15.7 t -63.68 -42.14 95.02 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.777 0 CA-C-N 114.841 -1.072 . . . . 0.0 110.749 -179.54 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 40' ' ' SER . . . . . 0.522 ' O ' HG12 ' B' ' 43' ' ' ILE . 90.4 p -72.58 -12.86 61.23 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-O 120.944 0.402 . . . . 0.0 111.039 -179.074 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 35.1 t -87.63 -11.37 48.69 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.989 0.423 . . . . 0.0 110.308 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 39.0 m-80 -116.66 -4.9 11.64 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.224 -175.073 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 43' ' ' ILE . . . . . 0.532 HG13 ' N ' ' B' ' 44' ' ' ALA . 6.4 pt -59.01 -41.54 83.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 121.019 0.438 . . . . 0.0 110.934 177.129 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 44' ' ' ALA . . . . . 0.532 ' N ' HG13 ' B' ' 43' ' ' ILE . . . -80.54 -7.27 59.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.108 0.48 . . . . 0.0 110.821 -176.678 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -86.3 -49.53 7.61 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.922 178.301 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 46' ' ' ILE . . . . . 0.481 HG21 ' HB3' ' B' ' 87' ' ' LEU . 39.9 mt -68.86 -34.52 64.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.483 179.291 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . 0.703 ' HB1' HD13 ' A' ' 96' ' ' ILE . . . -66.75 -8.0 25.12 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.721 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 45.4 t -104.63 -47.46 4.06 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.044 -179.1 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -98.27 -15.71 34.64 Favored Glycine 0 C--N 1.331 0.285 0 C-N-CA 120.466 -0.873 . . . . 0.0 113.546 -175.127 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 69.95 -81.37 0.34 Allowed Glycine 0 N--CA 1.45 -0.426 0 N-CA-C 111.761 -0.536 . . . . 0.0 111.761 -179.284 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -109.04 -25.6 10.61 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-O 121.093 0.473 . . . . 0.0 110.477 -179.259 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 25.8 t -73.4 -11.11 60.36 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.374 -178.797 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -89.66 -20.73 23.31 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.684 -179.653 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 54' ' ' LEU . . . . . 0.461 HD11 HG11 ' A' ' 88' ' ' VAL . 45.2 mt -52.06 -56.61 20.25 Favored Pre-proline 0 CA--C 1.534 0.35 0 CA-C-N 115.923 -0.581 . . . . 0.0 112.015 -176.819 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 55' ' ' PRO . . . . . 0.453 ' HD2' ' N ' ' B' ' 54' ' ' LEU . 26.1 Cg_endo -62.67 -18.92 66.46 Favored 'Trans proline' 0 C--N 1.352 0.754 0 C-N-CA 122.042 1.828 . . . . 0.0 112.501 -176.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 40.2 m -92.82 -36.88 12.61 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.116 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 69.8 t -81.5 -41.01 18.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.43 -173.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 58' ' ' ILE . . . . . 0.461 HG12 ' HG ' ' B' ' 83' ' ' LEU . 74.2 mt -58.92 -37.88 69.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.925 -0.579 . . . . 0.0 109.841 176.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 32.9 t -69.36 -40.53 77.41 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.241 179.741 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 -56.54 -42.29 78.25 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 121.318 0.58 . . . . 0.0 110.438 178.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . 0.49 ' O ' HG23 ' B' ' 65' ' ' VAL . 64.2 mt -82.17 -48.03 18.65 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.599 -178.101 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 62' ' ' TYR . . . . . 0.427 ' O ' HG23 ' B' ' 66' ' ' VAL . 47.8 t80 -55.57 -50.84 69.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.589 -0.278 . . . . 0.0 110.977 -175.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 42.2 m -61.09 -28.84 69.37 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.912 179.801 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -73.33 -43.5 38.12 Favored Glycine 0 N--CA 1.447 -0.568 0 C-N-CA 120.947 -0.645 . . . . 0.0 111.664 178.073 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 65' ' ' VAL . . . . . 0.737 HG12 HG11 ' B' ' 70' ' ' VAL . 50.8 t -65.68 -45.61 91.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-O 120.919 0.39 . . . . 0.0 111.025 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 66' ' ' VAL . . . . . 0.427 HG23 ' O ' ' B' ' 62' ' ' TYR . 86.5 t -60.68 -39.97 83.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.945 -179.552 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -70.68 -5.27 28.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.782 179.444 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 23.9 t -86.73 -8.63 57.22 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.942 0.401 . . . . 0.0 110.616 179.347 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 84.18 37.4 11.23 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.675 -0.774 . . . . 0.0 111.847 -178.404 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . 0.737 HG11 HG12 ' B' ' 65' ' ' VAL . 14.4 p -87.08 160.63 2.96 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.797 0 N-CA-C 109.959 -0.386 . . . . 0.0 109.959 178.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 21.3 t -61.4 135.63 57.76 Favored 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 109.049 -0.723 . . . . 0.0 109.049 172.788 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 3.1 p -49.41 -49.12 46.23 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 113.22 0.822 . . . . 0.0 113.22 -172.41 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 73' ' ' ASN . . . . . 0.406 ' HA ' HD22 ' B' ' 73' ' ' ASN . 1.8 t-20 -80.92 -26.79 36.47 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 120.82 -0.352 . . . . 0.0 110.878 -176.339 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -69.37 -28.61 66.35 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 121.022 0.439 . . . . 0.0 110.204 177.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . 0.43 ' HB2' ' CG1' ' B' ' 70' ' ' VAL . . . -56.59 -40.56 75.46 Favored 'General case' 0 CA--C 1.519 -0.223 0 CA-C-N 115.749 -0.66 . . . . 0.0 111.235 178.291 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 76' ' ' LEU . . . . . 0.513 HD23 ' HB3' ' B' ' 118' ' ' TYR . 2.8 tm? -56.52 -48.29 77.55 Favored 'General case' 0 CA--C 1.518 -0.282 0 CA-C-N 115.912 -0.585 . . . . 0.0 109.868 178.829 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 77' ' ' ILE . . . . . 0.74 ' O ' ' HG ' ' B' ' 81' ' ' LEU . 39.2 mm -61.81 -55.59 23.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.097 -176.43 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 78' ' ' GLN . . . . . 0.517 ' HB2' ' HB1' ' B' ' 26' ' ' ALA . 24.1 tt0 -58.25 -45.73 87.25 Favored 'General case' 0 N--CA 1.464 0.262 0 C-N-CA 120.989 -0.284 . . . . 0.0 111.057 179.285 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -57.85 -40.8 80.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.6 -179.651 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 80' ' ' LEU . . . . . 0.438 ' O ' ' HB3' ' B' ' 83' ' ' LEU . 2.8 mm? -67.93 -49.78 59.89 Favored 'General case' 0 N--CA 1.444 -0.748 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.095 175.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . 0.74 ' HG ' ' O ' ' B' ' 77' ' ' ILE . 73.0 mt -55.84 -42.57 75.98 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.521 0.201 . . . . 0.0 111.311 -176.391 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -64.94 -40.13 94.56 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.994 0.426 . . . . 0.0 110.548 175.291 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 83' ' ' LEU . . . . . 0.461 ' HG ' HG12 ' B' ' 58' ' ' ILE . 3.3 tm? -58.72 -48.37 81.37 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.059 175.297 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 84' ' ' LEU . . . . . 0.451 HD11 HD21 ' A' ' 84' ' ' LEU . 7.8 mp -61.12 -16.12 40.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.834 -179.647 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 40.4 m -93.69 -33.71 13.54 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.983 0.421 . . . . 0.0 111.092 -174.454 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 86' ' ' ALA . . . . . 0.47 ' O ' HG13 ' B' ' 90' ' ' VAL . . . -67.16 -43.22 82.81 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.932 -177.667 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 87' ' ' LEU . . . . . 0.481 ' HB3' HG21 ' B' ' 46' ' ' ILE . 1.1 pp -82.11 -14.12 56.23 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 113.096 0.776 . . . . 0.0 113.096 -171.433 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 88' ' ' VAL . . . . . 0.469 HG11 HD11 ' A' ' 54' ' ' LEU . 16.7 m -94.42 -22.46 5.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 C-N-CA 120.278 -0.569 . . . . 0.0 110.725 176.361 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 89' ' ' HIS . . . . . . . . . . . . . 52.5 t60 -70.96 -34.08 71.08 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 176.657 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 90' ' ' VAL . . . . . 0.47 HG13 ' O ' ' B' ' 86' ' ' ALA . 27.0 m -66.47 -26.56 37.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.545 -175.726 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 91' ' ' LEU . . . . . 0.694 ' HA ' ' HB3' ' B' ' 94' ' ' ALA . 3.4 mm? -65.43 -20.03 66.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.642 -0.254 . . . . 0.0 111.059 -179.547 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 35.2 t -58.27 -33.1 69.03 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.91 0.386 . . . . 0.0 110.562 177.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 12.7 t -119.72 15.85 12.72 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.49 0.662 . . . . 0.0 109.753 -179.38 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 94' ' ' ALA . . . . . 0.694 ' HB3' ' HA ' ' B' ' 91' ' ' LEU . . . -104.47 96.96 6.96 Favored 'General case' 0 N--CA 1.446 -0.65 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.68 178.292 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 45.8 t -73.28 91.43 1.7 Allowed 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 176.692 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 96' ' ' ILE . . . . . 0.688 HD13 ' HB1' ' A' ' 47' ' ' ALA . 19.0 tt -74.28 142.87 14.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.921 -179.216 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 97' ' ' GLY . . . . . . . . . . . . . . . -90.5 -112.06 1.55 Allowed Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.878 -0.677 . . . . 0.0 112.249 179.492 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 98' ' ' ASN . . . . . . . . . . . . . 10.1 t30 -122.43 108.3 13.04 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.882 0.372 . . . . 0.0 110.44 -179.399 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 99' ' ' VAL . . . . . 0.56 ' CG1' HD11 ' B' ' 96' ' ' ILE . 5.4 m -89.34 134.75 27.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-O 121.142 0.496 . . . . 0.0 111.353 -178.258 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 100' ' ' SER . . . . . . . . . . . . . 18.7 p -85.38 142.07 29.55 Favored 'General case' 0 N--CA 1.446 -0.654 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.464 179.594 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 2.9 p -84.43 10.39 10.89 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.457 0.646 . . . . 0.0 110.243 176.5 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 60.8 t -114.64 126.81 72.28 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.68 0 CA-C-N 115.345 -0.843 . . . . 0.0 109.827 -177.337 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . 113.91 -9.45 23.29 Favored Glycine 0 N--CA 1.448 -0.516 0 CA-C-N 115.846 -0.615 . . . . 0.0 112.332 178.81 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 104' ' ' VAL . . . . . . . . . . . . . 15.9 t -61.69 -31.42 50.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.651 0.262 . . . . 0.0 110.342 179.125 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -51.69 -37.91 52.78 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 115.518 -0.765 . . . . 0.0 110.356 177.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 106' ' ' SER . . . . . 0.445 ' O ' ' HB2' ' B' ' 109' ' ' ASN . 17.4 m -83.45 -35.55 24.88 Favored 'General case' 0 N--CA 1.454 -0.225 0 CA-C-N 115.802 -0.636 . . . . 0.0 111.51 -178.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 37.8 m -62.46 -32.61 73.52 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.102 0.477 . . . . 0.0 110.387 178.48 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 108' ' ' LEU . . . . . 0.563 ' O ' ' HG3' ' B' ' 112' ' ' GLN . 3.0 mt -61.48 -23.31 65.81 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.444 -0.798 . . . . 0.0 111.195 176.746 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 109' ' ' ASN . . . . . 0.445 ' HB2' ' O ' ' B' ' 106' ' ' SER . 0.9 OUTLIER -65.83 -33.9 76.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.152 0.501 . . . . 0.0 110.243 176.066 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 110' ' ' VAL . . . . . . . . . . . . . 29.4 t -80.33 -34.12 14.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.968 -175.483 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 111' ' ' VAL . . . . . 0.532 HG12 ' O ' ' B' ' 108' ' ' LEU . 9.6 p -67.26 -26.3 35.84 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.349 0 CA-C-O 121.247 0.546 . . . . 0.0 110.145 -179.181 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 112' ' ' GLN . . . . . 0.563 ' HG3' ' O ' ' B' ' 108' ' ' LEU . 24.8 mt-30 -74.81 -22.31 58.79 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.813 179.412 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 113' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -79.68 -39.44 31.3 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.204 -0.907 . . . . 0.0 110.705 -175.442 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 4.6 p -80.68 -43.21 20.72 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.12 -0.946 . . . . 0.0 112.517 -170.398 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 115' ' ' VAL . . . . . 0.502 HG12 ' O ' ' B' ' 111' ' ' VAL . 10.4 p -105.92 -17.86 7.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-O 121.018 0.437 . . . . 0.0 111.117 -174.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 116' ' ' GLY . . . . . . . . . . . . . . . -62.29 -21.92 62.6 Favored Glycine 0 C--O 1.228 -0.27 0 C-N-CA 121.091 -0.576 . . . . 0.0 112.621 -179.178 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 117' ' ' GLN . . . . . 0.405 HE21 ' HB2' ' B' ' 117' ' ' GLN . 0.0 OUTLIER -86.51 -3.52 59.03 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 111.687 0.254 . . . . 0.0 111.687 -179.231 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 118' ' ' TYR . . . . . 0.513 ' HB3' HD23 ' B' ' 76' ' ' LEU . 77.3 m-85 -111.98 -28.13 8.14 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.926 0.394 . . . . 0.0 110.874 178.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 119' ' ' VAL . . . . . . . . . . . . . 34.2 m -89.45 -5.23 10.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.83 176.592 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.878 -0.957 . . . . 0.0 111.545 179.403 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.457 ' HB3' ' O ' ' B' ' 119' ' ' VAL . 37.8 m . . . . . 0 N--CA 1.451 -0.391 0 CA-C-O 120.404 0.145 . . . . 0.0 111.171 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.447 ' OH ' ' HB3' ' A' ' 73' ' ' ASN . 0.0 OUTLIER -157.64 131.79 8.22 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.739 177.412 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -89.77 -11.27 42.68 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 121.169 0.509 . . . . 0.0 110.058 174.624 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -67.2 -31.1 76.56 Favored Glycine 0 CA--C 1.507 -0.453 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.841 -176.784 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -69.71 -15.85 63.23 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.26 0.552 . . . . 0.0 110.165 176.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.589 ' CG1' ' HA ' ' B' ' 112' ' ' GLN . 3.9 t -92.18 -43.23 13.84 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.733 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.385 -176.097 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 45.4 m-80 -62.08 -33.89 75.26 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 121.082 0.468 . . . . 0.0 110.362 -179.294 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 35.7 ttp180 -66.99 -12.91 61.21 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-N 115.258 -0.883 . . . . 0.0 112.192 -178.316 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.658 HD11 ' HB3' ' A' ' 81' ' ' LEU . 90.8 mt -69.45 -24.85 63.86 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.007 0.373 . . . . 0.0 112.007 -177.603 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 24.1 p -69.82 -13.35 62.22 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.436 -174.116 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 42.1 t -71.75 150.31 44.57 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.187 -0.46 . . . . 0.0 109.951 178.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.68 -12.0 41.76 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.92 0.39 . . . . 0.0 111.238 -178.664 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -61.1 -56.08 25.08 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.357 178.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.526 ' O ' HG23 ' A' ' 39' ' ' VAL . . . -57.98 -46.95 84.37 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.654 175.052 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -56.42 -19.11 13.46 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.034 -0.53 . . . . 0.0 112.059 -178.697 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 40.0 m -95.44 -23.84 16.95 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.521 -0.309 . . . . 0.0 111.783 179.46 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.557 ' NH1' ' HA ' ' A' ' 61' ' ' ILE . 8.4 mtp180 -91.52 -43.14 9.86 Favored 'General case' 0 CA--C 1.516 -0.335 0 CA-C-O 121.591 0.71 . . . . 0.0 109.483 -179.133 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.526 HG21 HD11 ' B' ' 108' ' ' LEU . 61.4 t -60.4 -40.41 84.01 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.86 0 CA-C-N 114.434 -1.257 . . . . 0.0 110.42 177.88 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 78.7 p -76.46 -8.12 56.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.1 -179.21 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 48.1 t -91.78 -8.05 47.84 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.208 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 46.2 m-80 -122.2 -4.66 8.94 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.269 -177.277 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.502 HG13 ' N ' ' A' ' 44' ' ' ALA . 5.0 pt -58.2 -42.56 83.71 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.133 0 CA-C-O 120.839 0.352 . . . . 0.0 111.229 179.349 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.502 ' N ' HG13 ' A' ' 43' ' ' ILE . . . -75.41 -15.7 60.42 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.097 0.475 . . . . 0.0 111.181 -175.652 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -80.47 -52.56 7.5 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.285 -178.8 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.453 HG21 ' HB3' ' A' ' 87' ' ' LEU . 33.4 mt -65.95 -34.24 68.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.441 -179.831 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.766 ' HB1' HD13 ' B' ' 96' ' ' ILE . . . -61.01 -26.21 67.44 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.201 179.243 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 38.6 m -95.87 -42.2 8.44 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.42 -176.582 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -91.05 -21.09 36.84 Favored Glycine 0 CA--C 1.518 0.276 0 C-N-CA 120.62 -0.8 . . . . 0.0 113.422 -175.359 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 73.68 -77.01 0.95 Allowed Glycine 0 N--CA 1.451 -0.356 0 N-CA-C 111.667 -0.573 . . . . 0.0 111.667 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -120.99 -22.84 6.02 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-O 121.019 0.437 . . . . 0.0 110.536 179.449 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 9.0 t -72.73 -13.81 61.42 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.274 0.559 . . . . 0.0 110.122 -177.64 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -88.31 -17.18 31.21 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.83 -179.263 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.45 ' N ' ' HD2' ' A' ' 55' ' ' PRO . 43.7 mt -54.92 -57.55 18.89 Favored Pre-proline 0 C--N 1.327 -0.397 0 CA-C-N 116.027 -0.533 . . . . 0.0 112.097 -175.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.45 ' HD2' ' N ' ' A' ' 54' ' ' LEU . 17.0 Cg_endo -59.04 -24.29 72.8 Favored 'Trans proline' 0 C--N 1.35 0.628 0 C-N-CA 122.21 1.94 . . . . 0.0 112.519 -177.193 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 24.9 m -88.78 -39.8 13.66 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.984 0.421 . . . . 0.0 110.915 -179.456 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 59.2 t -76.44 -37.8 31.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 121.098 0.475 . . . . 0.0 110.144 -175.526 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.471 HG12 HD22 ' A' ' 83' ' ' LEU . 64.9 mt -57.6 -43.39 83.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.925 174.829 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 22.6 t -68.02 -38.17 82.26 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.2 -0.454 . . . . 0.0 109.969 -178.582 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -59.81 -49.17 78.76 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.813 179.191 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.557 ' HA ' ' NH1' ' A' ' 38' ' ' ARG . 50.6 mt -74.78 -47.26 38.69 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.175 -178.17 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.451 ' O ' HG23 ' A' ' 66' ' ' VAL . 43.4 t80 -53.5 -53.6 49.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.982 -178.703 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 42.7 t -59.87 -32.13 70.42 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.971 0.415 . . . . 0.0 110.75 -179.695 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.526 ' HA3' ' NH1' ' A' ' 38' ' ' ARG . . . -66.52 -40.22 94.2 Favored Glycine 0 C--N 1.329 0.191 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.004 -179.398 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.754 HG12 HG11 ' A' ' 70' ' ' VAL . 18.6 t -78.4 -42.4 26.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-O 120.819 0.343 . . . . 0.0 111.044 -178.841 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.451 HG23 ' O ' ' A' ' 62' ' ' TYR . 94.5 t -60.1 -37.1 71.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.046 -179.161 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -70.88 -5.72 32.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.51 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 11.9 t -90.0 -11.96 40.04 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.6 -0.273 . . . . 0.0 110.537 179.237 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 96.61 30.28 7.74 Favored Glycine 0 C--N 1.331 0.265 0 C-N-CA 120.624 -0.798 . . . . 0.0 112.847 178.141 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.754 HG11 HG12 ' A' ' 65' ' ' VAL . 11.6 p -91.13 159.25 2.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 N-CA-C 110.221 -0.289 . . . . 0.0 110.221 178.182 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 27.1 t -66.77 147.16 53.62 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 110.105 -0.332 . . . . 0.0 110.105 175.302 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 6.4 p -58.62 -44.69 90.07 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 112.43 0.53 . . . . 0.0 112.43 -173.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . 0.447 ' HB3' ' OH ' ' A' ' 23' ' ' TYR . 0.2 OUTLIER -73.14 -35.92 66.58 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.881 -0.328 . . . . 0.0 110.428 -176.231 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -70.52 -34.1 71.92 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 176.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.548 ' HB2' HG13 ' A' ' 70' ' ' VAL . . . -58.94 -40.2 83.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.635 175.589 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.491 HD23 ' HB3' ' A' ' 118' ' ' TYR . 2.7 tm? -56.75 -54.23 48.6 Favored 'General case' 0 CA--C 1.517 -0.298 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 176.202 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.757 ' O ' ' HG ' ' A' ' 81' ' ' LEU . 39.5 mm -58.49 -56.97 13.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 115.461 -0.79 . . . . 0.0 110.714 -178.738 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . 0.545 ' HG2' HG11 ' A' ' 65' ' ' VAL . 24.6 tp60 -51.94 -48.9 64.06 Favored 'General case' 0 N--CA 1.467 0.391 0 O-C-N 123.249 0.343 . . . . 0.0 111.366 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.92 -40.13 96.67 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.061 -178.755 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.541 ' O ' HD23 ' A' ' 84' ' ' LEU . 3.6 mm? -67.93 -37.59 81.83 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.971 178.531 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.757 ' HG ' ' O ' ' A' ' 77' ' ' ILE . 59.5 mt -63.52 -46.19 87.16 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.845 0.355 . . . . 0.0 110.357 178.779 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -61.15 -42.71 99.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.569 176.315 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.533 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 57.5 tp -59.2 -46.41 88.51 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.95 177.535 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.725 HD21 HD21 ' B' ' 84' ' ' LEU . 3.7 mm? -69.4 -1.42 8.33 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.719 -178.023 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 20.3 m -102.78 -27.93 12.39 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.019 0.438 . . . . 0.0 110.403 176.757 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -75.48 -46.42 32.54 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.16 0.505 . . . . 0.0 110.672 -176.691 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.533 ' HG ' ' O ' ' A' ' 83' ' ' LEU . 1.0 OUTLIER -78.7 -13.97 59.54 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.585 -0.734 . . . . 0.0 112.849 -172.319 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.481 HG13 HD12 ' A' ' 87' ' ' LEU . 17.4 m -94.78 -27.47 4.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 C-N-CA 120.547 -0.461 . . . . 0.0 110.795 177.049 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 70.0 t60 -65.83 -34.46 78.2 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 178.737 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 33.1 m -65.16 -26.82 40.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.111 -175.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.562 ' HA ' ' HB3' ' A' ' 94' ' ' ALA . 3.9 mm? -67.05 -21.25 65.91 Favored 'General case' 0 N--CA 1.462 0.147 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.273 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 34.9 t -71.03 -17.8 62.6 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.826 0.346 . . . . 0.0 111.049 -179.792 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . 0.646 ' HB2' HG12 ' B' ' 99' ' ' VAL . 73.5 m -119.33 -9.88 9.82 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.624 0.725 . . . . 0.0 110.454 178.496 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.562 ' HB3' ' HA ' ' A' ' 91' ' ' LEU . . . -88.46 104.12 16.51 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.114 -0.948 . . . . 0.0 111.27 -179.666 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 12.2 t -75.16 87.99 2.45 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.457 -0.571 . . . . 0.0 109.457 176.188 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.725 HD13 ' HB1' ' B' ' 47' ' ' ALA . 20.8 tt -70.41 145.18 13.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.339 -177.864 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -94.12 -99.06 1.6 Allowed Glycine 0 N--CA 1.446 -0.656 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.204 179.301 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -133.12 111.6 11.07 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.844 0.354 . . . . 0.0 111.077 -177.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.57 ' CG1' HD11 ' A' ' 96' ' ' ILE . 13.1 m -93.18 153.66 3.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.438 177.129 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 48.5 m -129.75 147.96 51.58 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.644 -178.475 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . 0.477 ' HB3' ' HB2' ' B' ' 40' ' ' SER . 21.3 m -74.63 -6.29 47.84 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.737 -177.06 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 60.7 t -88.11 108.79 18.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.791 -176.409 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 124.44 -11.75 8.0 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.852 -0.689 . . . . 0.0 112.888 176.602 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 46.9 t -59.83 -29.28 42.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.431 0.158 . . . . 0.0 111.185 -178.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -48.8 -46.48 41.76 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-O 121.404 0.621 . . . . 0.0 110.507 178.464 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 15.5 m -70.42 -25.33 63.17 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.452 -0.795 . . . . 0.0 111.523 -177.131 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 20.3 m -72.56 -35.71 68.05 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.874 0.369 . . . . 0.0 110.172 -178.14 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.576 ' O ' HG12 ' A' ' 111' ' ' VAL . 4.4 mm? -58.53 -37.82 76.45 Favored 'General case' 0 C--O 1.224 -0.28 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.371 175.529 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 16.1 m-80 -67.34 -21.46 65.64 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.68 -177.365 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 26.2 t -91.99 -37.56 9.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.187 -178.03 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.576 HG12 ' O ' ' A' ' 108' ' ' LEU . 7.9 p -61.04 -28.93 44.69 Favored 'Isoleucine or valine' 0 C--O 1.233 0.216 0 CA-C-O 121.256 0.551 . . . . 0.0 110.168 -179.827 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . 0.543 ' HG3' ' O ' ' A' ' 108' ' ' LEU . 24.1 mt-30 -64.47 -25.44 68.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.699 179.237 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -81.3 -38.65 26.45 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.419 -0.809 . . . . 0.0 110.263 -178.042 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . 0.417 ' OG ' ' HD3' ' A' ' 55' ' ' PRO . 6.6 m -73.64 -43.38 59.68 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.172 -0.922 . . . . 0.0 112.107 -172.49 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.431 HG12 ' O ' ' A' ' 111' ' ' VAL . 10.8 p -117.52 -19.09 6.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 N-CA-C 112.114 0.413 . . . . 0.0 112.114 -172.166 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -61.64 -22.3 61.6 Favored Glycine 0 C--O 1.23 -0.152 0 C-N-CA 120.93 -0.653 . . . . 0.0 112.692 -177.523 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.34 4.41 52.46 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.547 0.213 . . . . 0.0 111.219 -179.53 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . 0.491 ' HB3' HD23 ' A' ' 76' ' ' LEU . 90.4 m-85 -113.0 -26.54 8.45 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.896 0.379 . . . . 0.0 110.229 177.74 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 35.2 m . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.67 176.017 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 26.5 m . . . . . 0 N--CA 1.445 -0.697 0 CA-C-O 120.488 0.185 . . . . 0.0 110.679 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 23' ' ' TYR . . . . . 0.446 ' CE1' ' HA ' ' B' ' 74' ' ' GLU . 0.2 OUTLIER -151.93 117.88 5.49 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.025 177.475 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -74.5 -27.11 60.41 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-O 121.226 0.536 . . . . 0.0 110.621 177.316 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 25' ' ' GLY . . . . . 0.41 ' HA2' HD22 ' B' ' 28' ' ' ASN . . . -62.75 -28.88 72.38 Favored Glycine 0 N--CA 1.452 -0.287 0 CA-C-N 115.832 -0.622 . . . . 0.0 112.24 -179.11 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -76.05 -8.31 56.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.438 0.637 . . . . 0.0 110.346 178.163 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 27' ' ' VAL . . . . . 0.506 HG12 ' HG2' ' A' ' 112' ' ' GLN . 3.5 t -97.54 -42.86 11.92 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.076 178.887 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 28' ' ' ASN . . . . . 0.41 HD22 ' HA2' ' B' ' 25' ' ' GLY . 57.9 m-80 -60.93 -35.24 76.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.824 0.345 . . . . 0.0 110.843 -179.169 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 25.2 ttp180 -66.4 -14.67 62.47 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 116.04 -0.527 . . . . 0.0 112.165 -177.652 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . 0.631 HD11 ' HB3' ' B' ' 81' ' ' LEU . 91.5 mt -64.71 -25.5 67.97 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.917 -178.388 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 43.9 p -75.68 4.79 7.13 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.198 -177.442 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 47.0 t -94.65 166.11 12.18 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.365 178.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.32 -21.88 66.76 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.694 178.664 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -49.72 -58.89 4.44 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.784 179.046 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 35' ' ' ALA . . . . . 0.641 ' O ' HG23 ' B' ' 39' ' ' VAL . . . -65.69 -58.79 4.86 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.342 -0.845 . . . . 0.0 110.756 179.684 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -47.97 -36.01 11.82 Favored 'General case' 0 N--CA 1.464 0.268 0 N-CA-C 112.568 0.581 . . . . 0.0 112.568 -173.237 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 50.7 m -70.74 -30.41 66.93 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 112.359 0.504 . . . . 0.0 112.359 -178.465 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -93.02 -40.62 10.43 Favored 'General case' 0 CA--C 1.513 -0.478 0 CA-C-O 121.694 0.759 . . . . 0.0 109.7 -176.222 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 39' ' ' VAL . . . . . 0.641 HG23 ' O ' ' B' ' 35' ' ' ALA . 40.2 t -58.36 -45.38 89.56 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.919 0 CA-C-N 114.569 -1.196 . . . . 0.0 110.705 178.368 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 40' ' ' SER . . . . . 0.477 ' HB2' ' HB3' ' A' ' 101' ' ' SER . 89.0 p -77.72 -5.98 52.43 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.476 -177.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 34.3 t -90.1 -19.48 24.27 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.173 0.511 . . . . 0.0 109.983 179.69 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 38.0 m-80 -113.77 -0.3 14.28 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.093 -174.175 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 43' ' ' ILE . . . . . 0.459 HG23 ' O ' ' B' ' 39' ' ' VAL . 3.7 pt -59.76 -41.93 87.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.02 178.261 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 44' ' ' ALA . . . . . 0.455 ' N ' HG13 ' B' ' 43' ' ' ILE . . . -76.91 -11.63 59.84 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.865 0.364 . . . . 0.0 111.014 -176.249 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -83.26 -52.81 6.25 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.091 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 41.7 mt -64.98 -36.44 77.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.4 -179.495 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . 0.725 ' HB1' HD13 ' A' ' 96' ' ' ILE . . . -62.51 -24.93 67.75 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.49 -179.784 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 37.0 m -100.61 -9.96 21.42 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.67 -175.589 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -120.6 -29.18 1.61 Allowed Glycine 0 N--CA 1.453 -0.199 0 C-N-CA 120.339 -0.934 . . . . 0.0 113.08 -176.461 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 81.71 -78.33 1.96 Allowed Glycine 0 N--CA 1.447 -0.608 0 N-CA-C 111.41 -0.676 . . . . 0.0 111.41 -179.064 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -124.21 -20.09 5.37 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 121.099 0.476 . . . . 0.0 110.879 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 23.0 t -69.68 -18.89 63.59 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.476 -178.79 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -88.85 -15.7 33.84 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.94 -177.522 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 54' ' ' LEU . . . . . 0.469 HD11 HG11 ' A' ' 88' ' ' VAL . 43.4 mt -54.76 -58.18 15.63 Favored Pre-proline 0 CA--C 1.536 0.414 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.928 -176.004 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 55' ' ' PRO . . . . . 0.43 ' HD2' ' N ' ' B' ' 54' ' ' LEU . 19.6 Cg_endo -60.16 -25.96 81.29 Favored 'Trans proline' 0 C--N 1.354 0.857 0 C-N-CA 122.191 1.928 . . . . 0.0 112.304 -177.679 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 22.4 m -82.2 -42.09 19.45 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.914 -179.348 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 79.1 t -77.19 -38.55 27.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.257 -173.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 58' ' ' ILE . . . . . 0.512 HG12 HD22 ' B' ' 83' ' ' LEU . 67.7 mt -58.65 -41.31 81.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.053 175.113 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 15.6 t -66.59 -35.6 80.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.255 -178.205 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -65.72 -49.95 66.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.767 179.281 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . 0.481 ' O ' HG23 ' B' ' 65' ' ' VAL . 62.6 mt -73.48 -47.28 46.09 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.707 -176.281 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 62' ' ' TYR . . . . . 0.536 ' O ' HG23 ' B' ' 66' ' ' VAL . 36.8 t80 -54.62 -54.69 38.21 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.609 -0.269 . . . . 0.0 111.26 -177.565 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 5.2 t -63.66 -29.95 71.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.049 0.452 . . . . 0.0 110.094 -177.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -66.65 -41.81 93.71 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.939 -0.648 . . . . 0.0 111.791 178.182 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 65' ' ' VAL . . . . . 0.661 HG12 HG11 ' B' ' 70' ' ' VAL . 45.2 t -70.35 -41.42 78.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-O 120.776 0.322 . . . . 0.0 110.751 178.805 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 66' ' ' VAL . . . . . 0.536 HG23 ' O ' ' B' ' 62' ' ' TYR . 89.4 t -60.5 -37.36 74.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.799 -179.806 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -66.92 -12.64 60.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.124 -0.489 . . . . 0.0 112.039 179.346 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 48.4 t -78.92 -17.33 55.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.094 0.473 . . . . 0.0 110.346 178.301 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 92.71 38.25 5.57 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.627 -0.797 . . . . 0.0 111.699 -177.673 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . 0.661 HG11 HG12 ' B' ' 65' ' ' VAL . 13.7 p -91.23 163.39 2.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 N-CA-C 110.036 -0.357 . . . . 0.0 110.036 178.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 71' ' ' SER . . . . . 0.4 ' N ' HG22 ' B' ' 70' ' ' VAL . 38.1 t -61.69 136.74 58.12 Favored 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 109.079 -0.712 . . . . 0.0 109.079 172.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 19.3 m -55.5 -41.85 73.64 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 112.59 0.589 . . . . 0.0 112.59 -173.068 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -85.1 -23.38 28.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.936 0.398 . . . . 0.0 110.385 -176.852 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 74' ' ' GLU . . . . . 0.446 ' HA ' ' CE1' ' B' ' 23' ' ' TYR . 34.3 tt0 -72.5 -30.56 64.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.128 0.49 . . . . 0.0 109.927 176.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . 0.406 ' HB2' ' CG1' ' B' ' 70' ' ' VAL . . . -59.94 -32.52 70.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.471 -0.786 . . . . 0.0 111.264 178.752 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 76' ' ' LEU . . . . . 0.544 HD23 ' HB3' ' B' ' 118' ' ' TYR . 2.8 tm? -57.42 -53.78 54.31 Favored 'General case' 0 CA--C 1.517 -0.298 0 N-CA-C 109.684 -0.487 . . . . 0.0 109.684 177.54 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 77' ' ' ILE . . . . . 0.754 ' O ' ' HG ' ' B' ' 81' ' ' LEU . 37.7 mm -62.15 -54.47 33.96 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.905 -178.215 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 78' ' ' GLN . . . . . 0.43 ' HG2' HG11 ' B' ' 65' ' ' VAL . 33.6 tp60 -52.5 -49.71 64.22 Favored 'General case' 0 C--N 1.33 -0.259 0 O-C-N 123.193 0.308 . . . . 0.0 111.1 179.401 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.65 -40.15 94.94 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.917 -178.517 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 80' ' ' LEU . . . . . 0.569 ' O ' HD23 ' B' ' 84' ' ' LEU . 2.0 mm? -62.4 -45.64 92.23 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.65 177.413 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . 0.754 ' HG ' ' O ' ' B' ' 77' ' ' ILE . 55.4 mt -62.43 -39.31 92.89 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.82 0.343 . . . . 0.0 110.767 -178.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -62.69 -44.62 95.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.936 0.398 . . . . 0.0 110.26 174.753 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 83' ' ' LEU . . . . . 0.512 HD22 HG12 ' B' ' 58' ' ' ILE . 43.9 tp -61.04 -44.69 97.02 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.21 177.298 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 84' ' ' LEU . . . . . 0.725 HD21 HD21 ' A' ' 84' ' ' LEU . 3.9 mm? -60.27 -13.88 15.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.617 -0.72 . . . . 0.0 111.752 -178.8 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 85' ' ' SER . . . . . 0.424 ' OG ' HD13 ' A' ' 108' ' ' LEU . 20.4 m -98.52 -27.17 14.16 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.786 0.327 . . . . 0.0 111.075 -177.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -73.19 -44.03 60.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.318 0.58 . . . . 0.0 110.625 -176.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 87' ' ' LEU . . . . . 0.477 ' HG ' ' O ' ' B' ' 83' ' ' LEU . 1.0 OUTLIER -80.6 -14.25 58.35 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.409 -0.814 . . . . 0.0 112.689 -172.754 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 88' ' ' VAL . . . . . 0.448 HG11 HD11 ' A' ' 54' ' ' LEU . 16.0 m -93.46 -26.3 4.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 C-N-CA 120.554 -0.458 . . . . 0.0 110.895 176.86 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 89' ' ' HIS . . . . . . . . . . . . . 46.8 t60 -68.07 -34.69 76.89 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.069 0.461 . . . . 0.0 109.891 179.34 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 90' ' ' VAL . . . . . . . . . . . . . 33.5 m -65.48 -25.96 38.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.44 -176.438 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 91' ' ' LEU . . . . . 0.628 ' HA ' ' HB3' ' B' ' 94' ' ' ALA . 3.8 mm? -65.95 -24.51 66.82 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.622 -0.263 . . . . 0.0 111.232 -179.269 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 11.0 t -62.63 -30.54 71.43 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.086 0.469 . . . . 0.0 110.365 179.804 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 93' ' ' SER . . . . . 0.516 ' HB2' HG12 ' A' ' 99' ' ' VAL . 20.4 m -112.63 9.49 19.34 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.294 0.568 . . . . 0.0 110.394 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 94' ' ' ALA . . . . . 0.628 ' HB3' ' HA ' ' B' ' 91' ' ' LEU . . . -107.15 93.58 4.63 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.592 179.822 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 16.8 m -70.01 84.04 0.51 Allowed 'General case' 0 N--CA 1.429 -1.505 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.502 177.322 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 96' ' ' ILE . . . . . 0.766 HD13 ' HB1' ' A' ' 47' ' ' ALA . 20.1 tt -67.91 145.24 13.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.496 -0.775 . . . . 0.0 111.462 -176.749 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 97' ' ' GLY . . . . . . . . . . . . . . . -97.31 -108.64 2.62 Favored Glycine 0 N--CA 1.444 -0.799 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.15 178.184 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 98' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -115.51 115.19 26.08 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.678 0.275 . . . . 0.0 110.421 -176.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 99' ' ' VAL . . . . . 0.646 HG12 ' HB2' ' A' ' 93' ' ' SER . 3.0 m -103.65 115.37 45.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-O 121.139 0.495 . . . . 0.0 110.648 176.313 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 100' ' ' SER . . . . . . . . . . . . . 19.7 m -84.69 149.42 25.81 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.96 178.283 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 23.0 m -79.37 21.85 0.46 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.935 0.397 . . . . 0.0 111.336 -178.498 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 48.7 t -117.22 119.93 63.42 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.465 0 CA-C-O 120.973 0.416 . . . . 0.0 110.614 -176.136 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . 119.52 -12.61 11.07 Favored Glycine 0 N--CA 1.446 -0.666 0 CA-C-N 115.79 -0.641 . . . . 0.0 112.074 179.122 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 104' ' ' VAL . . . . . . . . . . . . . 26.4 t -60.44 -30.39 46.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 120.585 0.231 . . . . 0.0 110.716 -179.412 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -50.26 -42.07 51.44 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.704 179.534 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 8.8 m -72.07 -28.01 63.05 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 115.476 -0.784 . . . . 0.0 111.097 -178.561 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 18.1 m -73.33 -33.63 65.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.114 -176.309 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 108' ' ' LEU . . . . . 0.614 ' O ' ' HG3' ' B' ' 112' ' ' GLN . 4.2 mm? -58.84 -31.06 68.17 Favored 'General case' 0 C--O 1.223 -0.312 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.208 175.062 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 109' ' ' ASN . . . . . 0.493 ' N ' HD22 ' B' ' 109' ' ' ASN . 0.8 OUTLIER -72.49 -23.36 61.02 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.602 -178.474 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 110' ' ' VAL . . . . . . . . . . . . . 17.6 t -86.28 -38.73 12.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.868 -177.032 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 111' ' ' VAL . . . . . 0.528 HG12 ' O ' ' B' ' 108' ' ' LEU . 10.1 p -61.78 -33.27 56.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 121.052 0.453 . . . . 0.0 110.096 179.636 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 112' ' ' GLN . . . . . 0.614 ' HG3' ' O ' ' B' ' 108' ' ' LEU . 23.3 mt-30 -64.33 -30.08 71.14 Favored 'General case' 0 CA--C 1.517 -0.303 0 CA-C-O 121.538 0.685 . . . . 0.0 110.239 179.17 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 113' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -79.18 -33.62 43.81 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 114.898 -1.046 . . . . 0.0 110.323 -177.329 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 114' ' ' SER . . . . . 0.425 ' OG ' ' HD3' ' B' ' 55' ' ' PRO . 11.5 m -79.97 -42.42 23.98 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 114.833 -1.076 . . . . 0.0 111.828 -171.641 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 115' ' ' VAL . . . . . 0.48 HG12 ' O ' ' B' ' 111' ' ' VAL . 14.5 p -118.82 -15.17 8.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 N-CA-C 112.109 0.411 . . . . 0.0 112.109 -172.007 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 116' ' ' GLY . . . . . . . . . . . . . . . -64.27 -18.01 62.36 Favored Glycine 0 C--O 1.229 -0.183 0 C-N-CA 120.846 -0.692 . . . . 0.0 113.355 -175.704 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -94.12 -3.81 50.39 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.762 0.315 . . . . 0.0 111.135 178.698 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 118' ' ' TYR . . . . . 0.544 ' HB3' HD23 ' B' ' 76' ' ' LEU . 96.7 m-85 -104.58 -24.32 13.0 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.981 0.42 . . . . 0.0 110.344 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 119' ' ' VAL . . . . . 0.457 ' O ' ' HB3' ' A' ' 22' ' ' SER . 27.7 m -85.32 -6.82 10.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.55 173.862 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.421 -1.211 . . . . 0.0 111.671 178.953 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.8 m . . . . . 0 CA--C 1.519 -0.239 0 CA-C-O 120.873 0.368 . . . . 0.0 111.29 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.509 ' CE1' ' HA ' ' A' ' 74' ' ' GLU . 0.0 OUTLIER -152.77 132.53 13.18 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.03 -177.385 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.436 ' HA ' HG23 ' A' ' 27' ' ' VAL . . . -96.19 -13.07 23.78 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.661 179.225 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.46 -33.6 87.68 Favored Glycine 0 CA--C 1.508 -0.364 0 C-N-CA 120.703 -0.761 . . . . 0.0 111.52 -179.155 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.61 ' HB1' ' HB2' ' A' ' 78' ' ' GLN . . . -66.29 -13.84 61.08 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.177 -0.511 . . . . 0.0 110.79 175.113 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.513 HG22 ' CD1' ' A' ' 81' ' ' LEU . 2.7 t -100.01 -43.84 11.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.941 -177.165 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 54.2 m-80 -62.23 -38.95 91.17 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 120.724 -0.391 . . . . 0.0 111.047 -176.783 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.414 ' HD3' ' OE1' ' A' ' 78' ' ' GLN . 13.6 ptm180 -69.97 -3.51 16.47 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.645 -176.639 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.543 ' HB3' HD12 ' B' ' 108' ' ' LEU . 88.3 mt -68.85 -27.64 66.0 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.998 0.428 . . . . 0.0 110.604 178.371 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 32.6 p -75.46 -3.44 33.91 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.971 -179.731 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 41.7 t -86.31 168.49 13.83 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.624 178.528 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -68.19 -10.32 53.47 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.802 179.757 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.408 ' CD ' HH21 ' A' ' 29' ' ' ARG . 32.9 mt-10 -56.73 -65.0 0.69 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.396 178.284 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.409 ' O ' HG23 ' A' ' 39' ' ' VAL . . . -63.1 -50.71 69.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.714 -0.676 . . . . 0.0 111.363 -179.181 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.07 -8.94 3.75 Favored 'General case' 0 N--CA 1.466 0.332 0 N-CA-C 112.417 0.525 . . . . 0.0 112.417 -176.095 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 32.4 t -92.6 -31.24 15.24 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 120.81 0.338 . . . . 0.0 110.986 175.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 58.7 mtp85 -97.98 -41.86 7.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.286 0.565 . . . . 0.0 110.184 -173.395 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.448 HG13 ' HB2' ' A' ' 86' ' ' ALA . 67.6 t -58.81 -49.86 81.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-N 115.092 -0.958 . . . . 0.0 110.58 177.756 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.7 m -69.68 -6.46 31.77 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.492 -0.776 . . . . 0.0 111.993 -177.05 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 25.1 t -94.69 -17.32 22.34 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.172 0.511 . . . . 0.0 110.141 179.509 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 44.8 m-80 -113.23 0.63 14.94 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.196 -175.371 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.404 HG13 ' N ' ' A' ' 44' ' ' ALA . 3.1 pt -59.46 -41.62 85.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.098 177.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.404 ' N ' HG13 ' A' ' 43' ' ' ILE . . . -77.71 -12.46 59.97 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.922 0.391 . . . . 0.0 110.998 -177.682 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -80.94 -53.86 6.08 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.213 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 48.4 mt -64.98 -35.45 75.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.52 -179.399 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.803 ' HB1' HD13 ' B' ' 96' ' ' ILE . . . -59.53 -28.28 66.95 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.268 179.632 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 34.1 m -89.62 -32.27 17.17 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.67 -0.696 . . . . 0.0 111.64 -175.578 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -98.93 -56.99 0.99 Allowed Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.548 -0.834 . . . . 0.0 112.463 -178.352 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 105.47 -83.4 0.37 Allowed Glycine 0 N--CA 1.442 -0.914 0 N-CA-C 110.58 -1.008 . . . . 0.0 110.58 -175.05 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -110.21 -24.2 10.82 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-O 121.227 0.537 . . . . 0.0 110.035 177.694 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 16.5 p -71.58 -15.2 62.26 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.858 -179.472 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -91.52 -16.4 27.28 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.761 -178.759 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.516 HD11 HG11 ' B' ' 88' ' ' VAL . 57.4 mt -56.94 -58.7 15.92 Favored Pre-proline 0 C--N 1.327 -0.401 0 CA-C-N 116.088 -0.506 . . . . 0.0 112.033 -175.155 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.467 ' HD3' ' OG ' ' A' ' 114' ' ' SER . 19.1 Cg_endo -59.65 -25.1 77.92 Favored 'Trans proline' 0 C--N 1.353 0.8 0 C-N-CA 121.998 1.798 . . . . 0.0 112.126 -176.565 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 12.4 m -83.77 -42.11 16.86 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.854 -179.418 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 75.9 t -77.44 -37.48 25.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.151 -174.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.518 HG12 HD22 ' A' ' 83' ' ' LEU . 71.2 mt -59.26 -38.97 77.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.122 175.234 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 10.8 t -67.85 -40.89 83.6 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.231 -0.441 . . . . 0.0 109.955 -179.716 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 -60.35 -38.68 84.58 Favored 'General case' 0 CA--C 1.52 -0.198 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.904 179.598 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.404 ' O ' HG23 ' A' ' 65' ' ' VAL . 71.8 mt -84.94 -50.16 15.03 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.856 -178.052 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.454 ' O ' HG23 ' A' ' 66' ' ' VAL . 51.9 t80 -54.17 -50.21 67.52 Favored 'General case' 0 N--CA 1.465 0.313 0 N-CA-C 111.611 0.226 . . . . 0.0 111.611 -175.32 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 16.5 t -63.23 -28.48 70.06 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.153 0.501 . . . . 0.0 110.27 -179.101 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -72.92 -41.62 48.22 Favored Glycine 0 N--CA 1.447 -0.569 0 N-CA-C 111.176 -0.77 . . . . 0.0 111.176 178.048 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.7 HG12 HG11 ' A' ' 70' ' ' VAL . 91.1 t -64.08 -47.76 88.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 115.269 -0.466 . . . . 0.0 110.911 178.034 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.454 HG23 ' O ' ' A' ' 62' ' ' TYR . 64.5 t -61.68 -35.35 66.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.854 -179.731 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -74.96 -2.1 25.59 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.738 179.067 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 30.7 t -87.53 -10.28 52.11 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.752 0.311 . . . . 0.0 110.526 178.01 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 89.37 32.05 10.92 Favored Glycine 0 C--N 1.329 0.193 0 C-N-CA 120.637 -0.792 . . . . 0.0 112.176 179.629 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.7 HG11 HG12 ' A' ' 65' ' ' VAL . 14.0 p -89.82 160.9 2.72 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 N-CA-C 110.137 -0.32 . . . . 0.0 110.137 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 42.8 t -55.87 139.47 45.78 Favored 'General case' 0 N--CA 1.451 -0.379 0 N-CA-C 109.895 -0.409 . . . . 0.0 109.895 173.248 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 20.4 m -57.58 -32.74 67.45 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.046 0.387 . . . . 0.0 112.046 -174.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -90.55 -33.31 15.95 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.709 -0.396 . . . . 0.0 110.507 -177.409 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.509 ' HA ' ' CE1' ' A' ' 23' ' ' TYR . 55.0 tt0 -69.31 -24.87 63.99 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-O 121.101 0.477 . . . . 0.0 110.65 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.403 ' HB2' HG13 ' A' ' 70' ' ' VAL . . . -57.46 -38.21 74.1 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.561 -0.745 . . . . 0.0 111.528 178.768 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.417 HD23 ' HB3' ' A' ' 118' ' ' TYR . 3.0 tm? -56.27 -48.18 77.09 Favored 'General case' 0 C--N 1.331 -0.203 0 O-C-N 123.24 0.337 . . . . 0.0 110.21 179.238 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.671 ' O ' ' HG ' ' A' ' 81' ' ' LEU . 32.3 mm -61.37 -55.57 23.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.984 -176.273 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . 0.61 ' HB2' ' HB1' ' A' ' 26' ' ' ALA . 20.1 tt0 -57.73 -46.6 84.23 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 120.609 0.242 . . . . 0.0 111.093 179.352 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -58.05 -39.11 77.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.55 -179.061 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.617 ' O ' HD23 ' A' ' 84' ' ' LEU . 2.7 mm? -68.95 -47.38 65.82 Favored 'General case' 0 N--CA 1.447 -0.575 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.137 176.214 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.749 HD22 HG11 ' B' ' 115' ' ' VAL . 14.3 mt -63.44 -38.66 91.99 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.638 0.256 . . . . 0.0 111.549 -174.523 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -60.4 -44.93 95.22 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.924 0.392 . . . . 0.0 110.368 172.512 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.518 HD22 HG12 ' A' ' 58' ' ' ILE . 32.9 tp -59.46 -44.43 92.99 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.88 176.601 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.631 HD21 HD21 ' B' ' 84' ' ' LEU . 3.8 mm? -60.85 -13.37 15.07 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.45 -0.795 . . . . 0.0 111.747 -178.349 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.461 ' OG ' HD13 ' B' ' 108' ' ' LEU . 19.5 m -98.38 -28.52 13.61 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.62 -0.264 . . . . 0.0 110.904 -178.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.448 ' HB2' HG13 ' A' ' 39' ' ' VAL . . . -70.04 -41.36 74.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.273 0.559 . . . . 0.0 110.503 -177.387 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.465 ' HG ' ' O ' ' A' ' 83' ' ' LEU . 1.1 pp -84.82 -15.6 44.27 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.486 -0.779 . . . . 0.0 112.777 -172.199 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.527 HG11 HD11 ' B' ' 54' ' ' LEU . 15.4 m -91.8 -28.95 4.63 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.294 0 C-N-CA 120.397 -0.521 . . . . 0.0 110.86 177.338 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 60.6 t60 -66.47 -35.99 81.64 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.919 0.39 . . . . 0.0 110.184 179.04 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.409 HG13 ' O ' ' A' ' 86' ' ' ALA . 31.4 m -64.59 -26.39 40.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.247 -176.826 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.591 ' HA ' ' HB3' ' A' ' 94' ' ' ALA . 3.5 mm? -67.02 -21.66 65.92 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.588 -0.278 . . . . 0.0 111.427 -179.292 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 32.8 t -64.25 -29.5 70.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.089 0.471 . . . . 0.0 110.173 178.416 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . 0.627 ' HB2' HG12 ' B' ' 99' ' ' VAL . 57.3 m -110.52 -15.81 13.81 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.691 -178.153 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.591 ' HB3' ' HA ' ' A' ' 91' ' ' LEU . . . -83.91 101.21 11.51 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.481 -0.782 . . . . 0.0 111.059 178.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 11.8 t -76.51 93.47 3.55 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 176.37 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.688 HD13 ' HB1' ' B' ' 47' ' ' ALA . 19.6 tt -75.01 143.6 13.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.647 -177.623 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -97.11 -106.23 2.38 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.879 -0.677 . . . . 0.0 112.804 -179.526 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -120.03 110.26 16.47 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.773 0.32 . . . . 0.0 110.902 -176.24 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.552 ' CG1' HD11 ' A' ' 96' ' ' ILE . 4.7 m -95.64 140.89 16.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.771 177.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 27.2 m -98.02 152.13 19.6 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.475 -179.391 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 44.3 m -87.23 4.87 40.88 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.007 0.432 . . . . 0.0 110.269 178.639 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 7.1 p -110.95 132.89 58.19 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.596 0 CA-C-O 121.292 0.568 . . . . 0.0 109.647 -179.515 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 109.7 -16.8 30.96 Favored Glycine 0 N--CA 1.446 -0.699 0 CA-C-N 115.506 -0.77 . . . . 0.0 111.755 -179.026 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.449 ' O ' HD23 ' A' ' 108' ' ' LEU . 17.9 t -59.59 -32.67 49.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-O 120.894 0.378 . . . . 0.0 110.027 177.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -50.32 -38.13 40.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.275 -0.875 . . . . 0.0 111.064 178.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 17.9 m -81.39 -27.09 34.96 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.141 -178.343 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 23.3 m -70.32 -32.4 70.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.062 0.458 . . . . 0.0 110.031 -179.626 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.736 HD12 ' HB3' ' B' ' 30' ' ' LEU . 4.6 mm? -58.02 -27.69 63.78 Favored 'General case' 0 C--O 1.221 -0.418 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.493 174.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . 0.549 HD22 ' N ' ' A' ' 109' ' ' ASN . 0.8 OUTLIER -74.19 -27.82 60.99 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.042 0.449 . . . . 0.0 110.502 -178.536 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 15.9 t -81.23 -37.2 15.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.518 -176.707 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.539 HG12 ' O ' ' A' ' 108' ' ' LEU . 9.5 p -64.48 -32.25 56.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.223 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . 0.636 ' HG3' ' O ' ' A' ' 108' ' ' LEU . 22.4 mt-30 -66.4 -24.81 66.54 Favored 'General case' 0 CA--C 1.519 -0.218 0 CA-C-O 121.294 0.569 . . . . 0.0 110.207 179.38 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -85.26 -33.49 22.16 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.312 -0.858 . . . . 0.0 109.936 -177.67 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . 0.467 ' OG ' ' HD3' ' A' ' 55' ' ' PRO . 15.1 m -77.63 -46.75 21.11 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 114.941 -1.027 . . . . 0.0 111.728 -173.023 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.468 HG12 ' O ' ' A' ' 111' ' ' VAL . 12.0 p -112.24 -19.61 6.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.617 -174.156 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -57.67 -31.47 63.9 Favored Glycine 0 C--O 1.228 -0.248 0 C-N-CA 121.202 -0.523 . . . . 0.0 112.769 -178.306 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.68 -3.33 56.19 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 111.965 0.357 . . . . 0.0 111.965 -179.595 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . 0.417 ' HB3' HD23 ' A' ' 76' ' ' LEU . 96.2 m-85 -107.96 -26.28 10.78 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.8 0.333 . . . . 0.0 110.338 178.095 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.413 ' O ' ' HB3' ' B' ' 22' ' ' SER . 33.4 m . . . . . 0 C--N 1.331 -0.206 0 CA-C-O 121.181 0.515 . . . . 0.0 110.615 175.017 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 22' ' ' SER . . . . . 0.413 ' HB3' ' O ' ' A' ' 119' ' ' VAL . 40.1 m . . . . . 0 N--CA 1.448 -0.565 0 CA-C-O 120.885 0.374 . . . . 0.0 110.872 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 23' ' ' TYR . . . . . 0.435 ' CE1' ' HA ' ' B' ' 74' ' ' GLU . 0.0 OUTLIER -152.91 135.41 15.15 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.205 -0.452 . . . . 0.0 109.783 -178.841 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . 0.481 ' HA ' HG23 ' B' ' 27' ' ' VAL . . . -94.28 -13.15 26.8 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.457 -178.293 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.54 -34.61 89.99 Favored Glycine 0 N--CA 1.453 -0.207 0 C-N-CA 120.622 -0.799 . . . . 0.0 111.658 -177.757 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 26' ' ' ALA . . . . . 0.644 ' HB1' ' HB2' ' B' ' 78' ' ' GLN . . . -65.62 -26.05 67.65 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.232 0.539 . . . . 0.0 110.799 176.627 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 27' ' ' VAL . . . . . 0.49 HG22 HD11 ' B' ' 81' ' ' LEU . 2.3 t -86.63 -40.41 14.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-O 121.605 0.717 . . . . 0.0 110.539 -174.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 69.1 m-20 -69.47 -17.22 63.6 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.759 -172.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 29' ' ' ARG . . . . . 0.42 HH21 ' CD ' ' B' ' 34' ' ' GLU . 12.6 ptm180 -95.83 6.86 47.87 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.871 0.367 . . . . 0.0 110.934 -178.749 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . 0.736 ' HB3' HD12 ' A' ' 108' ' ' LEU . 98.8 mt -75.78 -25.93 56.88 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.899 0.381 . . . . 0.0 110.872 -179.027 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 13.7 p -73.6 -2.9 24.87 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.225 0.536 . . . . 0.0 110.769 178.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 68.3 m -85.01 157.83 20.65 Favored 'General case' 0 N--CA 1.443 -0.824 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.756 178.456 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.56 -24.14 66.44 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.369 -179.674 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . 0.42 ' CD ' HH21 ' B' ' 29' ' ' ARG . 28.9 mt-10 -50.4 -57.74 7.29 Favored 'General case' 0 CA--C 1.521 -0.157 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.818 178.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 35' ' ' ALA . . . . . 0.635 ' O ' HG23 ' B' ' 39' ' ' VAL . . . -63.8 -61.07 2.53 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.868 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -48.64 -35.18 13.18 Favored 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 112.592 0.59 . . . . 0.0 112.592 -174.503 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 30.1 t -69.94 -27.65 64.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.712 0.291 . . . . 0.0 111.41 -178.021 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 58.4 mtp85 -96.0 -39.97 9.5 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.646 0.736 . . . . 0.0 109.671 -176.702 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 39' ' ' VAL . . . . . 0.635 HG23 ' O ' ' B' ' 35' ' ' ALA . 39.7 t -61.48 -42.4 93.75 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.762 0 CA-C-N 114.594 -1.185 . . . . 0.0 110.676 179.633 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 78.4 p -74.19 -8.27 55.61 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.993 0.425 . . . . 0.0 111.271 179.73 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 30.6 t -90.66 -17.59 26.55 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.09 0.472 . . . . 0.0 110.319 -179.713 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 46.4 m-80 -114.2 -2.83 13.29 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.281 -175.319 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 43' ' ' ILE . . . . . 0.49 HG23 ' O ' ' B' ' 39' ' ' VAL . 4.0 pt -57.87 -41.86 80.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.991 0.424 . . . . 0.0 111.07 178.173 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 44' ' ' ALA . . . . . 0.456 ' N ' HG13 ' B' ' 43' ' ' ILE . . . -77.2 -14.14 59.82 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.034 0.445 . . . . 0.0 111.015 -176.056 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -81.83 -51.27 8.29 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.365 -179.611 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 46' ' ' ILE . . . . . 0.475 HG21 ' HB3' ' B' ' 87' ' ' LEU . 34.9 mt -67.67 -32.74 58.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.213 179.683 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . 0.688 ' HB1' HD13 ' A' ' 96' ' ' ILE . . . -65.2 -16.56 63.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.511 178.558 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 47.1 m -106.96 -31.07 8.48 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.632 -177.009 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -97.53 -28.59 8.35 Favored Glycine 0 N--CA 1.453 -0.218 0 C-N-CA 120.545 -0.836 . . . . 0.0 112.957 -179.19 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 76.98 -73.41 1.96 Allowed Glycine 0 N--CA 1.448 -0.551 0 N-CA-C 111.664 -0.574 . . . . 0.0 111.664 -178.545 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -120.58 -28.75 4.87 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 120.869 0.366 . . . . 0.0 110.874 -179.394 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 11.3 p -73.91 -10.05 59.26 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.014 0.435 . . . . 0.0 111.206 -176.032 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -89.56 -15.78 32.13 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.559 179.651 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 54' ' ' LEU . . . . . 0.527 HD11 HG11 ' A' ' 88' ' ' VAL . 38.4 mt -56.38 -59.17 12.82 Favored Pre-proline 0 C--N 1.327 -0.385 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.846 -176.81 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 55' ' ' PRO . . . . . 0.438 ' HD2' ' N ' ' B' ' 54' ' ' LEU . 15.8 Cg_endo -57.72 -25.59 69.04 Favored 'Trans proline' 0 C--N 1.353 0.773 0 C-N-CA 122.272 1.981 . . . . 0.0 112.335 -177.059 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 14.9 m -86.76 -42.65 13.16 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.142 -178.763 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 77.6 t -77.52 -37.6 24.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.978 0.418 . . . . 0.0 110.543 -174.319 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 58' ' ' ILE . . . . . 0.473 HG12 ' HG ' ' B' ' 83' ' ' LEU . 67.4 mt -57.95 -38.16 64.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.806 174.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 23.1 t -69.91 -42.84 72.81 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.269 179.676 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 96.1 m-20 -55.99 -47.76 77.12 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.832 179.524 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . 0.429 ' O ' HG23 ' B' ' 65' ' ' VAL . 54.5 mt -75.48 -47.5 34.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 115.521 -0.763 . . . . 0.0 111.583 -177.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 62' ' ' TYR . . . . . 0.432 ' O ' HG23 ' B' ' 66' ' ' VAL . 51.1 t80 -52.62 -50.03 63.93 Favored 'General case' 0 N--CA 1.467 0.388 0 O-C-N 123.087 0.242 . . . . 0.0 111.21 -177.635 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 29.8 t -60.77 -30.52 70.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.499 -179.756 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -74.58 -40.21 39.23 Favored Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 120.4 -0.905 . . . . 0.0 111.155 179.038 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 65' ' ' VAL . . . . . 0.705 HG12 HG11 ' B' ' 70' ' ' VAL . 98.0 t -63.19 -47.4 92.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-N 115.171 -0.514 . . . . 0.0 110.912 178.517 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 66' ' ' VAL . . . . . 0.432 HG23 ' O ' ' B' ' 62' ' ' TYR . 68.6 t -62.14 -37.9 79.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.609 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -70.47 -5.87 31.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.869 178.648 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 30.7 t -89.22 -5.37 57.71 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-O 120.894 0.378 . . . . 0.0 110.706 179.162 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 84.6 29.59 29.29 Favored Glycine 0 C--N 1.33 0.242 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.328 178.118 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . 0.705 HG11 HG12 ' B' ' 65' ' ' VAL . 14.1 p -78.64 164.98 3.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 115.592 -0.304 . . . . 0.0 110.245 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 71' ' ' SER . . . . . 0.429 ' N ' HG22 ' B' ' 70' ' ' VAL . 45.4 t -61.87 139.05 58.4 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 172.475 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 10.0 m -52.68 -38.55 60.71 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 112.378 0.51 . . . . 0.0 112.378 -174.056 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -89.69 -30.95 17.72 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.791 0.329 . . . . 0.0 110.52 -175.883 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 74' ' ' GLU . . . . . 0.435 ' HA ' ' CE1' ' B' ' 23' ' ' TYR . 45.0 tt0 -70.24 -24.47 63.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.875 0.369 . . . . 0.0 110.61 179.608 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -54.93 -37.99 67.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.811 -0.632 . . . . 0.0 111.485 178.096 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 76' ' ' LEU . . . . . 0.474 HD23 ' HB3' ' B' ' 118' ' ' TYR . 2.8 tm? -57.49 -48.16 79.97 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 177.054 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 77' ' ' ILE . . . . . 0.716 ' O ' ' HG ' ' B' ' 81' ' ' LEU . 37.5 mm -64.1 -55.19 23.4 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-N 115.453 -0.794 . . . . 0.0 111.259 -176.127 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 78' ' ' GLN . . . . . 0.644 ' HB2' ' HB1' ' B' ' 26' ' ' ALA . 28.6 tt0 -56.59 -45.56 81.3 Favored 'General case' 0 N--CA 1.464 0.269 0 C-N-CA 120.871 -0.332 . . . . 0.0 111.134 179.297 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -57.18 -44.04 83.2 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.982 0.42 . . . . 0.0 110.624 178.649 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 80' ' ' LEU . . . . . 0.588 ' O ' HD23 ' B' ' 84' ' ' LEU . 3.5 mm? -68.26 -38.85 82.18 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.476 177.725 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . 0.716 ' HG ' ' O ' ' B' ' 77' ' ' ILE . 81.1 mt -60.84 -47.48 86.17 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.904 0.383 . . . . 0.0 110.979 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 57.7 mt-10 -64.96 -37.82 88.91 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.637 177.495 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 83' ' ' LEU . . . . . 0.473 ' HG ' HG12 ' B' ' 58' ' ' ILE . 3.4 tm? -60.48 -46.06 91.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.725 -0.671 . . . . 0.0 109.914 176.07 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 84' ' ' LEU . . . . . 0.631 HD21 HD21 ' A' ' 84' ' ' LEU . 4.0 mm? -68.67 -7.96 38.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.844 -178.759 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 42.1 m -95.43 -34.84 11.95 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 120.86 0.362 . . . . 0.0 110.703 -178.715 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 86' ' ' ALA . . . . . 0.403 ' O ' HG13 ' B' ' 90' ' ' VAL . . . -67.9 -44.46 76.9 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.083 -176.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 87' ' ' LEU . . . . . 0.489 HD12 HG13 ' B' ' 88' ' ' VAL . 1.2 pp -79.6 -16.78 55.24 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 113.16 0.8 . . . . 0.0 113.16 -171.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 88' ' ' VAL . . . . . 0.516 HG11 HD11 ' A' ' 54' ' ' LEU . 16.9 m -91.64 -26.02 5.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 C-N-CA 120.228 -0.589 . . . . 0.0 110.735 177.253 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 89' ' ' HIS . . . . . 0.406 ' CD2' HG22 ' A' ' 104' ' ' VAL . 69.3 t60 -67.46 -36.25 80.8 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.063 177.545 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 90' ' ' VAL . . . . . 0.462 ' HB ' ' CD1' ' A' ' 96' ' ' ILE . 32.0 m -64.55 -25.9 39.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.517 -175.694 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 91' ' ' LEU . . . . . 0.686 ' HA ' ' HB3' ' B' ' 94' ' ' ALA . 3.1 mm? -68.43 -20.43 64.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.609 -0.269 . . . . 0.0 111.175 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 33.1 t -62.96 -31.41 72.51 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.054 0.454 . . . . 0.0 110.269 178.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 93' ' ' SER . . . . . 0.454 ' HB2' HG12 ' A' ' 99' ' ' VAL . 19.2 m -116.09 13.53 15.82 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.248 0.547 . . . . 0.0 110.305 -179.623 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 94' ' ' ALA . . . . . 0.686 ' HB3' ' HA ' ' B' ' 91' ' ' LEU . . . -109.29 98.83 8.19 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.65 179.232 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 16.8 t -75.24 93.42 2.84 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 177.322 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 96' ' ' ILE . . . . . 0.803 HD13 ' HB1' ' A' ' 47' ' ' ALA . 18.9 tt -71.59 144.85 12.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.711 -177.54 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 97' ' ' GLY . . . . . . . . . . . . . . . -92.03 -106.22 1.55 Allowed Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 120.974 -0.631 . . . . 0.0 112.245 179.517 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 98' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -126.1 109.82 12.81 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 110.148 -0.316 . . . . 0.0 110.148 -178.261 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 99' ' ' VAL . . . . . 0.627 HG12 ' HB2' ' A' ' 93' ' ' SER . 12.8 m -91.91 165.0 2.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.109 175.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 100' ' ' SER . . . . . . . . . . . . . 44.1 m -139.75 155.47 47.3 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 120.725 0.298 . . . . 0.0 110.664 -179.459 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 26.7 m -84.26 6.42 22.87 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.371 -176.652 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 4.8 p -98.35 113.94 34.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-O 121.562 0.696 . . . . 0.0 110.64 -179.425 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . 114.04 -9.43 23.02 Favored Glycine 0 N--CA 1.448 -0.563 0 CA-C-N 115.266 -0.879 . . . . 0.0 112.557 178.488 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 104' ' ' VAL . . . . . . . . . . . . . 46.5 t -62.2 -34.56 64.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 177.2 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -50.89 -43.54 59.72 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 121.741 0.781 . . . . 0.0 110.227 178.628 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 4.4 m -71.34 -25.93 62.6 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.011 -0.995 . . . . 0.0 111.09 -179.087 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 23.1 m -74.69 -34.05 62.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.899 0.38 . . . . 0.0 110.225 -177.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 108' ' ' LEU . . . . . 0.609 ' O ' HG12 ' B' ' 111' ' ' VAL . 4.3 mm? -58.46 -37.38 75.34 Favored 'General case' 0 C--O 1.226 -0.179 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.514 176.2 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 109' ' ' ASN . . . . . . . . . . . . . 19.0 m-80 -65.8 -25.32 67.19 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.497 -178.272 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 110' ' ' VAL . . . . . . . . . . . . . 24.3 t -86.74 -38.69 12.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.062 -177.112 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 111' ' ' VAL . . . . . 0.609 HG12 ' O ' ' B' ' 108' ' ' LEU . 8.8 p -61.46 -28.95 45.0 Favored 'Isoleucine or valine' 0 C--O 1.235 0.299 0 CA-C-O 121.249 0.547 . . . . 0.0 110.115 -179.516 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 112' ' ' GLN . . . . . 0.581 ' HG3' ' O ' ' B' ' 108' ' ' LEU . 25.3 mt-30 -63.85 -23.83 67.51 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.707 179.187 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 113' ' ' ASP . . . . . 0.433 ' O ' ' HG2' ' B' ' 117' ' ' GLN . 28.6 t70 -80.69 -38.87 28.14 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.578 -178.862 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 11.1 m -76.49 -36.94 57.54 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.302 -0.863 . . . . 0.0 112.223 -170.315 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 115' ' ' VAL . . . . . 0.749 HG11 HD22 ' A' ' 81' ' ' LEU . 12.9 p -112.07 -22.67 4.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-O 120.831 0.348 . . . . 0.0 111.385 -176.492 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 116' ' ' GLY . . . . . . . . . . . . . . . -63.87 -16.71 59.74 Favored Glycine 0 C--O 1.226 -0.392 0 CA-C-N 116.27 -0.423 . . . . 0.0 113.121 -176.841 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 117' ' ' GLN . . . . . 0.433 ' HG2' ' O ' ' B' ' 113' ' ' ASP . 0.0 OUTLIER -93.19 0.4 57.12 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.926 0.393 . . . . 0.0 111.432 178.626 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 118' ' ' TYR . . . . . 0.474 ' HB3' HD23 ' B' ' 76' ' ' LEU . 98.0 m-85 -113.63 -29.34 7.17 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.373 177.43 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 119' ' ' VAL . . . . . . . . . . . . . 34.6 m -93.09 -3.15 10.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.12 177.362 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.969 0 CA-C-O 118.039 -1.423 . . . . 0.0 110.931 -178.809 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.469 ' HB3' ' O ' ' B' ' 119' ' ' VAL . 29.5 m . . . . . 0 N--CA 1.446 -0.643 0 CA-C-O 120.828 0.346 . . . . 0.0 110.303 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.535 ' CE1' ' HA ' ' A' ' 74' ' ' GLU . 0.1 OUTLIER -149.06 125.52 10.94 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.097 -0.501 . . . . 0.0 109.827 -177.786 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -83.86 -27.8 28.43 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.852 -176.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.459 ' HA2' HD22 ' A' ' 28' ' ' ASN . . . -60.97 -31.65 77.2 Favored Glycine 0 CA--C 1.508 -0.375 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.276 -179.685 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.503 ' HB1' ' HB2' ' A' ' 78' ' ' GLN . . . -65.88 -17.35 64.59 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.213 0.53 . . . . 0.0 110.355 177.744 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.548 HG22 ' CD1' ' A' ' 81' ' ' LEU . 3.2 t -96.15 -45.1 13.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.314 -179.335 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.459 HD22 ' HA2' ' A' ' 25' ' ' GLY . 45.8 m-80 -62.87 -32.19 73.37 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.685 -0.406 . . . . 0.0 110.395 -179.273 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.513 HH21 HG13 ' A' ' 65' ' ' VAL . 6.3 ttp85 -67.47 -7.49 25.97 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.759 -179.061 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.511 HD11 ' HB3' ' A' ' 81' ' ' LEU . 75.0 mt -76.15 -19.88 58.08 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.738 0.304 . . . . 0.0 111.015 -179.004 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 60.7 p -75.85 -10.4 59.4 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.023 0.44 . . . . 0.0 110.774 -178.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 34.9 t -78.0 155.91 30.45 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.154 179.318 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.01 -18.0 63.87 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.3 -178.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -58.08 -50.59 72.94 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.579 179.533 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.654 ' O ' HG23 ' A' ' 39' ' ' VAL . . . -62.49 -55.79 24.21 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.413 178.459 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.61 -35.8 32.02 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.678 -177.047 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 24.9 t -73.18 -20.67 60.84 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.088 -0.506 . . . . 0.0 112.113 -178.563 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.474 ' HD2' ' OE1' ' A' ' 82' ' ' GLU . 56.5 mtt180 -99.31 -51.24 3.86 Favored 'General case' 0 CA--C 1.514 -0.407 0 CA-C-O 121.868 0.842 . . . . 0.0 109.5 -178.849 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.654 HG23 ' O ' ' A' ' 35' ' ' ALA . 26.0 t -56.26 -41.26 69.91 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-N 114.081 -1.418 . . . . 0.0 111.191 -176.411 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.45 ' O ' HG12 ' A' ' 43' ' ' ILE . 91.7 p -78.85 -4.79 51.35 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.98 0.419 . . . . 0.0 111.559 -176.867 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 22.6 t -99.19 -5.98 29.02 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.109 0.48 . . . . 0.0 110.096 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . 0.447 ' HB3' HG13 ' A' ' 57' ' ' VAL . 45.9 m-80 -117.27 -5.52 11.32 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.575 -178.587 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.495 HG13 ' N ' ' A' ' 44' ' ' ALA . 7.7 pt -58.15 -43.61 85.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.605 179.691 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.495 ' N ' HG13 ' A' ' 43' ' ' ILE . . . -75.92 -14.69 60.26 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.106 0.479 . . . . 0.0 110.94 -175.186 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -78.69 -49.55 12.93 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.789 178.764 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 36.6 mt -67.37 -33.98 65.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.132 179.289 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.784 ' HB1' HD13 ' B' ' 96' ' ' ILE . . . -61.46 -26.21 67.74 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.169 179.067 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 24.9 m -98.88 -32.23 11.44 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.696 -175.607 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -99.15 -25.82 9.27 Favored Glycine 0 CA--C 1.519 0.333 0 C-N-CA 120.562 -0.827 . . . . 0.0 113.416 -176.459 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 73.43 -76.13 0.96 Allowed Glycine 0 N--CA 1.45 -0.381 0 N-CA-C 111.726 -0.55 . . . . 0.0 111.726 -178.484 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -118.94 -22.94 7.08 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-O 121.005 0.431 . . . . 0.0 110.313 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 35.8 t -72.2 -14.81 61.89 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.833 -0.622 . . . . 0.0 110.678 -177.601 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -90.39 -17.64 26.9 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.812 -177.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.465 HD11 HG11 ' B' ' 88' ' ' VAL . 55.0 mt -53.86 -56.92 20.46 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.029 -0.532 . . . . 0.0 112.172 -175.704 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.424 ' HD2' ' N ' ' A' ' 54' ' ' LEU . 28.6 Cg_endo -63.66 -13.69 38.25 Favored 'Trans proline' 0 C--N 1.353 0.772 0 C-N-CA 122.103 1.869 . . . . 0.0 112.87 -175.868 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 38.6 m -100.49 -37.99 8.58 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.82 0.343 . . . . 0.0 111.101 179.541 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.447 HG13 ' HB3' ' A' ' 42' ' ' ASN . 79.4 t -75.96 -38.01 35.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 121.038 0.447 . . . . 0.0 109.926 -175.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.489 HG12 HD22 ' A' ' 83' ' ' LEU . 72.1 mt -58.26 -39.39 73.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.775 -0.648 . . . . 0.0 109.766 173.821 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 23.8 t -67.42 -40.7 85.54 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.2 -177.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 95.9 m-20 -61.91 -49.6 75.51 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.887 178.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 59.9 mt -73.24 -46.55 49.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.805 -176.257 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.52 ' O ' HG23 ' A' ' 66' ' ' VAL . 61.7 t80 -53.65 -55.68 23.87 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 120.69 0.281 . . . . 0.0 111.07 -177.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 23.0 t -62.69 -27.74 69.46 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.568 -178.433 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -69.33 -40.94 80.09 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.948 -0.644 . . . . 0.0 112.092 178.453 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.571 HG12 HG11 ' A' ' 70' ' ' VAL . 36.3 t -74.11 -39.48 50.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.823 0.344 . . . . 0.0 110.625 178.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.52 HG23 ' O ' ' A' ' 62' ' ' TYR . 97.3 t -59.99 -34.42 56.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.672 179.291 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.7 -20.46 56.46 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.957 -0.565 . . . . 0.0 112.154 178.768 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 50.8 m -72.51 -22.22 61.07 Favored 'General case' 0 N--CA 1.445 -0.677 0 CA-C-O 120.773 0.321 . . . . 0.0 111.404 179.755 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 98.93 15.38 33.78 Favored Glycine 0 C--N 1.33 0.214 0 C-N-CA 120.531 -0.843 . . . . 0.0 112.067 -176.486 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.571 HG11 HG12 ' A' ' 65' ' ' VAL . 12.5 p -69.78 160.65 4.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 C-N-CA 122.574 0.35 . . . . 0.0 110.415 179.365 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 35.6 t -59.55 143.53 49.98 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 175.314 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 12.6 t -63.39 -36.9 85.26 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.485 -172.53 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -84.23 -31.41 25.04 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.96 0.409 . . . . 0.0 109.95 -178.449 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.535 ' HA ' ' CE1' ' A' ' 23' ' ' TYR . 37.9 tt0 -68.85 -31.76 70.95 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.318 0.58 . . . . 0.0 109.756 177.809 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.452 ' HB2' HG13 ' A' ' 70' ' ' VAL . . . -59.26 -36.43 75.49 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.286 -0.87 . . . . 0.0 111.489 177.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -57.96 -45.21 87.06 Favored 'General case' 0 N--CA 1.463 0.215 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.687 ' O ' ' HG ' ' A' ' 81' ' ' LEU . 39.1 mm -63.13 -56.04 19.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.857 -178.188 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . 0.503 ' HB2' ' HB1' ' A' ' 26' ' ' ALA . 8.9 tt0 -59.41 -44.85 92.78 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.831 -0.348 . . . . 0.0 111.109 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -59.44 -38.62 81.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.01 0.433 . . . . 0.0 110.869 179.729 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.587 ' O ' HD23 ' A' ' 84' ' ' LEU . 5.3 mt -70.75 -40.6 72.62 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.822 177.487 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.701 HD22 HG11 ' B' ' 115' ' ' VAL . 32.0 mt -69.45 -34.06 73.84 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 120.87 0.367 . . . . 0.0 110.932 -178.51 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.474 ' OE1' ' HD2' ' A' ' 38' ' ' ARG . 40.0 mt-10 -69.88 -14.79 62.91 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.794 171.383 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.489 HD22 HG12 ' A' ' 58' ' ' ILE . 43.1 tp -88.39 -43.99 11.09 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-O 121.256 0.551 . . . . 0.0 110.09 173.733 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.64 HD21 HD21 ' B' ' 84' ' ' LEU . 4.1 mm? -64.6 -9.37 18.87 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.309 -0.859 . . . . 0.0 111.915 -177.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 2.7 p -101.62 -18.84 15.7 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 120.783 0.325 . . . . 0.0 110.989 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.444 ' HB2' HG13 ' A' ' 39' ' ' VAL . . . -80.58 -49.71 10.95 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.562 0.696 . . . . 0.0 110.375 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.514 HD12 ' N ' ' A' ' 88' ' ' VAL . 1.1 pp -73.26 -22.25 60.43 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.057 -0.974 . . . . 0.0 112.836 -172.365 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.514 ' N ' HD12 ' A' ' 87' ' ' LEU . 22.5 m -87.15 -23.94 6.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 C-N-CA 120.596 -0.442 . . . . 0.0 110.593 177.551 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 76.9 t60 -69.45 -36.72 76.88 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.235 179.656 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.459 ' HA ' HG11 ' B' ' 99' ' ' VAL . 22.5 m -65.36 -26.82 40.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.484 -175.725 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.592 ' HA ' ' HB3' ' A' ' 94' ' ' ALA . 3.7 mm? -64.38 -25.17 67.91 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.6 -0.273 . . . . 0.0 111.282 -179.876 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 34.7 t -62.53 -28.33 69.78 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.096 0.475 . . . . 0.0 110.917 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . 0.682 ' HB2' HG12 ' B' ' 99' ' ' VAL . 19.6 m -115.67 0.69 13.32 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.67 0.748 . . . . 0.0 110.702 -178.818 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.592 ' HB3' ' HA ' ' A' ' 91' ' ' LEU . . . -95.47 113.42 25.07 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-N 115.168 -0.924 . . . . 0.0 110.874 178.704 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 8.5 t -84.44 88.42 7.29 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 177.64 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.785 HD13 ' HB1' ' B' ' 47' ' ' ALA . 15.9 tt -70.17 135.18 28.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.268 179.739 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -84.02 -75.53 1.2 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.271 -177.503 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 39.0 t30 -154.49 139.05 16.88 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 176.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.489 ' CG1' HD11 ' A' ' 96' ' ' ILE . 4.9 m -123.21 138.86 51.72 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.806 0 CA-C-O 120.986 0.422 . . . . 0.0 110.505 178.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 16.8 m -112.63 148.93 33.58 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.238 -176.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . 0.453 ' HB3' ' HB2' ' B' ' 40' ' ' SER . 46.5 m -72.34 -9.05 57.99 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.215 0.531 . . . . 0.0 111.433 -177.483 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 43.8 t -84.96 101.65 9.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.042 -176.176 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 132.19 -12.95 5.24 Favored Glycine 0 N--CA 1.453 -0.196 0 C-N-CA 120.616 -0.802 . . . . 0.0 112.931 176.107 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 48.3 t -57.5 -33.54 44.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.585 0.231 . . . . 0.0 110.644 178.172 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -52.91 -39.95 63.16 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.376 178.338 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 12.6 m -77.62 -39.68 44.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.562 -0.744 . . . . 0.0 111.239 -177.537 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 30.4 m -60.61 -33.97 73.55 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-O 121.35 0.595 . . . . 0.0 110.597 178.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.53 HD21 HG21 ' B' ' 39' ' ' VAL . 3.0 mt -60.75 -24.53 65.8 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.422 -0.808 . . . . 0.0 111.772 178.5 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . 0.503 HD22 ' N ' ' A' ' 109' ' ' ASN . 0.8 OUTLIER -77.27 -17.75 58.14 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.909 0.385 . . . . 0.0 110.38 -179.85 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 38.9 t -90.78 -35.92 7.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.864 -176.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.462 HG11 ' OG ' ' B' ' 85' ' ' SER . 11.1 p -64.52 -25.29 37.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 121.325 0.583 . . . . 0.0 110.636 -179.421 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . 0.529 ' HG2' HG12 ' B' ' 27' ' ' VAL . 23.1 mt-30 -71.76 -18.68 62.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.475 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -84.27 -35.33 23.46 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.896 -175.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 10.4 p -78.64 -46.14 19.89 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.405 -0.816 . . . . 0.0 112.053 -172.211 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.555 HG11 HD22 ' B' ' 81' ' ' LEU . 14.8 p -107.39 -19.04 6.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-O 120.808 0.337 . . . . 0.0 111.46 -172.655 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -57.7 -27.46 58.95 Favored Glycine 0 C--O 1.228 -0.226 0 C-N-CA 121.159 -0.543 . . . . 0.0 112.901 -178.514 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -87.28 0.58 55.18 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 111.72 0.267 . . . . 0.0 111.72 -178.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 88.6 m-85 -110.81 -30.36 7.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.014 0.435 . . . . 0.0 109.951 176.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 34.0 m . . . . . 0 C--N 1.327 -0.375 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.646 176.03 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 6.9 m . . . . . 0 N--CA 1.444 -0.761 0 CA-C-O 120.725 0.298 . . . . 0.0 110.355 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -148.17 123.22 10.09 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.794 -177.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -81.9 -17.23 47.94 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.527 -177.636 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -68.66 -26.74 74.29 Favored Glycine 0 CA--C 1.51 -0.271 0 C-N-CA 120.564 -0.827 . . . . 0.0 111.772 179.688 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 26' ' ' ALA . . . . . 0.407 ' HB1' ' N ' ' B' ' 78' ' ' GLN . . . -76.33 1.67 15.54 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.62 0.724 . . . . 0.0 110.247 176.128 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 27' ' ' VAL . . . . . 0.529 HG12 ' HG2' ' A' ' 112' ' ' GLN . 2.8 t -112.22 -36.23 2.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 115.103 -0.953 . . . . 0.0 109.636 178.298 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 70.7 m-20 -77.24 -14.49 59.75 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.736 -0.666 . . . . 0.0 111.367 -174.11 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 74.5 ttt180 -82.28 -7.31 59.63 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.286 0.565 . . . . 0.0 110.086 178.27 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . 0.574 HD11 ' HB3' ' B' ' 81' ' ' LEU . 82.2 mt -72.43 -30.42 64.6 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.187 -177.263 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 9.6 p -80.15 12.27 2.96 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.523 -178.359 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 45.2 t -102.1 160.97 14.05 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.154 178.479 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.42 -18.53 65.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.886 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -55.79 -61.24 2.5 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.437 177.244 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 35' ' ' ALA . . . . . 0.547 ' O ' HG23 ' B' ' 39' ' ' VAL . . . -61.12 -49.55 76.81 Favored 'General case' 0 CA--C 1.516 -0.36 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.604 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -51.58 -35.54 41.71 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.895 -176.742 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 39.8 m -80.02 -16.9 54.15 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 112.11 0.411 . . . . 0.0 112.11 -178.763 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 38' ' ' ARG . . . . . 0.544 ' HD2' ' OE1' ' B' ' 82' ' ' GLU . 73.9 mtt180 -96.49 -49.11 5.28 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 122.041 0.924 . . . . 0.0 109.191 179.767 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 39' ' ' VAL . . . . . 0.547 HG23 ' O ' ' B' ' 35' ' ' ALA . 48.2 t -60.73 -43.96 96.24 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.807 0 CA-C-N 113.902 -1.499 . . . . 0.0 111.202 -176.549 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 40' ' ' SER . . . . . 0.453 ' HB2' ' HB3' ' A' ' 101' ' ' SER . 94.8 p -73.5 -8.8 57.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.973 0.416 . . . . 0.0 111.437 -177.68 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 31.7 t -95.28 -2.26 49.74 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.217 179.659 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 48.8 m-80 -125.81 0.53 7.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.864 0.364 . . . . 0.0 111.22 -179.527 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 43' ' ' ILE . . . . . 0.498 HG13 ' N ' ' B' ' 44' ' ' ALA . 6.3 pt -61.71 -41.44 90.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.193 179.041 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 44' ' ' ALA . . . . . 0.498 ' N ' HG13 ' B' ' 43' ' ' ILE . . . -77.21 -15.97 59.26 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.006 0.431 . . . . 0.0 110.904 -175.099 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -77.24 -50.86 11.97 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.296 0.569 . . . . 0.0 110.027 179.814 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 46' ' ' ILE . . . . . 0.437 HG21 ' HB3' ' B' ' 87' ' ' LEU . 29.8 mt -67.14 -32.08 56.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.188 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . 0.785 ' HB1' HD13 ' A' ' 96' ' ' ILE . . . -64.37 -25.63 68.11 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.342 178.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 68.7 m -103.6 -6.65 21.46 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 112.369 0.507 . . . . 0.0 112.369 -176.419 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -124.73 -32.54 0.81 Allowed Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.101 -1.047 . . . . 0.0 113.23 -177.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 78.56 -78.37 1.64 Allowed Glycine 0 N--CA 1.444 -0.782 0 N-CA-C 111.122 -0.791 . . . . 0.0 111.122 -177.607 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -117.33 -20.98 8.92 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 120.88 0.371 . . . . 0.0 110.912 -178.514 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 14.6 p -72.3 -16.49 61.9 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.027 -176.575 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -92.55 -15.72 26.62 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.114 -177.63 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 54' ' ' LEU . . . . . 0.453 HD11 HG11 ' A' ' 88' ' ' VAL . 49.1 mt -53.42 -57.78 15.53 Favored Pre-proline 0 CA--C 1.534 0.356 0 N-CA-C 112.375 0.509 . . . . 0.0 112.375 -175.431 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 55' ' ' PRO . . . . . 0.424 ' HD2' ' N ' ' B' ' 54' ' ' LEU . 25.8 Cg_endo -62.93 -19.73 69.66 Favored 'Trans proline' 0 C--N 1.353 0.792 0 C-N-CA 122.221 1.947 . . . . 0.0 112.565 -176.748 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 14.9 m -91.88 -32.88 15.14 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.978 0.418 . . . . 0.0 111.039 -178.547 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 76.0 t -85.68 -37.46 11.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.403 -174.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 58' ' ' ILE . . . . . 0.507 HG12 HD22 ' B' ' 83' ' ' LEU . 70.3 mt -57.97 -41.85 81.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.291 176.028 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 18.6 t -67.06 -32.85 74.32 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.176 -177.669 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 88.7 m-20 -62.97 -51.43 66.9 Favored 'General case' 0 CA--C 1.519 -0.222 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.214 177.366 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . 0.409 ' O ' HG23 ' B' ' 65' ' ' VAL . 63.3 mt -73.96 -46.78 45.09 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-N 115.256 -0.883 . . . . 0.0 111.735 -176.027 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 62' ' ' TYR . . . . . 0.472 ' O ' HG23 ' B' ' 66' ' ' VAL . 42.1 t80 -55.08 -48.68 73.2 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.582 -0.281 . . . . 0.0 110.952 -177.626 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 33.3 t -61.63 -32.74 72.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.961 0.41 . . . . 0.0 110.471 179.338 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -71.67 -33.3 63.59 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.865 -0.683 . . . . 0.0 111.523 -179.602 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 65' ' ' VAL . . . . . 0.669 HG12 HG11 ' B' ' 70' ' ' VAL . 64.5 t -77.7 -45.82 27.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-O 120.774 0.321 . . . . 0.0 110.998 179.349 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 66' ' ' VAL . . . . . 0.472 HG23 ' O ' ' B' ' 62' ' ' TYR . 98.6 t -61.04 -30.27 47.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 120.912 0.387 . . . . 0.0 110.749 -178.809 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.57 -18.31 51.89 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 116.119 -0.491 . . . . 0.0 112.104 177.362 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 23.7 m -74.55 -19.17 60.44 Favored 'General case' 0 N--CA 1.448 -0.547 0 N-CA-C 112.057 0.391 . . . . 0.0 112.057 179.261 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 90.08 17.16 54.47 Favored Glycine 0 C--N 1.33 0.204 0 C-N-CA 120.586 -0.816 . . . . 0.0 111.473 -175.203 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . 0.669 HG11 HG12 ' B' ' 65' ' ' VAL . 13.1 p -70.58 163.31 3.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 115.233 -0.483 . . . . 0.0 110.413 179.249 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 71' ' ' SER . . . . . 0.417 ' N ' HG22 ' B' ' 70' ' ' VAL . 42.6 t -60.21 138.72 57.87 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 173.746 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 24.4 t -57.97 -43.24 86.36 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.021 0.439 . . . . 0.0 110.999 -175.77 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -77.11 -28.45 54.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.468 -177.033 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -74.31 -32.47 62.87 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 176.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . 0.506 ' HB2' HG13 ' B' ' 70' ' ' VAL . . . -61.35 -35.96 78.88 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.811 176.581 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 76' ' ' LEU . . . . . 0.482 HD23 ' HB3' ' B' ' 118' ' ' TYR . 2.4 tm? -54.29 -50.72 66.66 Favored 'General case' 0 CA--C 1.519 -0.243 0 O-C-N 123.504 0.503 . . . . 0.0 109.682 176.417 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 77' ' ' ILE . . . . . 0.593 ' O ' ' HG ' ' B' ' 81' ' ' LEU . 36.3 mm -63.9 -53.91 38.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.9 -178.285 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 78' ' ' GLN . . . . . 0.407 ' N ' ' HB1' ' B' ' 26' ' ' ALA . 41.3 tp60 -53.08 -49.4 66.48 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-O 120.906 0.384 . . . . 0.0 110.915 179.23 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.88 -42.24 97.54 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.904 -178.471 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 80' ' ' LEU . . . . . 0.624 ' O ' HD23 ' B' ' 84' ' ' LEU . 2.1 mm? -62.05 -45.74 92.21 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.784 177.198 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . 0.593 ' HG ' ' O ' ' B' ' 77' ' ' ILE . 24.6 mt -67.55 -38.23 83.85 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 120.503 0.192 . . . . 0.0 111.387 -176.237 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 82' ' ' GLU . . . . . 0.544 ' OE1' ' HD2' ' B' ' 38' ' ' ARG . 43.3 mt-10 -59.82 -40.61 89.0 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.068 0.461 . . . . 0.0 110.081 172.21 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 83' ' ' LEU . . . . . 0.507 HD22 HG12 ' B' ' 58' ' ' ILE . 39.2 tp -63.15 -46.31 87.81 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 175.684 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 84' ' ' LEU . . . . . 0.64 HD21 HD21 ' A' ' 84' ' ' LEU . 4.0 mm? -62.17 -12.29 19.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.552 -179.029 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 85' ' ' SER . . . . . 0.462 ' OG ' HG11 ' A' ' 111' ' ' VAL . 23.3 m -92.86 -29.03 16.15 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 120.84 0.353 . . . . 0.0 110.661 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 86' ' ' ALA . . . . . 0.454 ' HB2' HG13 ' B' ' 39' ' ' VAL . . . -73.26 -43.78 60.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.479 0.657 . . . . 0.0 110.488 -177.008 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 87' ' ' LEU . . . . . 0.474 HD12 ' N ' ' B' ' 88' ' ' VAL . 1.4 pp -80.86 -18.72 46.4 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.335 -0.848 . . . . 0.0 113.161 -171.342 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 88' ' ' VAL . . . . . 0.474 ' N ' HD12 ' B' ' 87' ' ' LEU . 16.6 m -89.83 -26.88 5.25 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.261 0 C-N-CA 120.151 -0.62 . . . . 0.0 110.561 176.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 89' ' ' HIS . . . . . . . . . . . . . 71.4 t60 -65.41 -38.55 90.3 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.013 178.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 90' ' ' VAL . . . . . 0.461 ' HA ' HG11 ' A' ' 99' ' ' VAL . 33.2 m -64.61 -26.46 40.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.538 -175.132 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 91' ' ' LEU . . . . . 0.581 ' HA ' ' HB3' ' B' ' 94' ' ' ALA . 3.5 mm? -66.3 -22.04 66.28 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.09 179.519 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 34.7 t -66.19 -20.42 66.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.771 0.319 . . . . 0.0 110.973 -179.104 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 49.9 m -128.19 15.59 6.72 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-O 121.475 0.655 . . . . 0.0 110.565 177.613 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 94' ' ' ALA . . . . . 0.581 ' HB3' ' HA ' ' B' ' 91' ' ' LEU . . . -106.72 102.28 11.67 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.384 177.791 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 13.3 t -77.44 82.82 3.88 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.219 0.533 . . . . 0.0 109.584 179.647 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 96' ' ' ILE . . . . . 0.784 HD13 ' HB1' ' A' ' 47' ' ' ALA . 15.3 tt -64.87 146.31 13.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 115.547 -0.751 . . . . 0.0 111.14 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 97' ' ' GLY . . . . . . . . . . . . . . . -89.34 -102.46 1.06 Allowed Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 120.546 -0.835 . . . . 0.0 111.314 176.814 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 98' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -131.05 135.21 47.36 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 110.121 -0.326 . . . . 0.0 110.121 175.698 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 99' ' ' VAL . . . . . 0.682 HG12 ' HB2' ' A' ' 93' ' ' SER . 8.1 m -114.72 131.34 67.16 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.53 178.398 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 100' ' ' SER . . . . . . . . . . . . . 42.7 m -100.04 156.42 17.18 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.281 -179.676 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 17.7 m -79.38 23.98 0.37 Allowed 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.011 0.434 . . . . 0.0 112.039 -175.313 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 5.3 p -114.93 124.81 71.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-O 121.175 0.512 . . . . 0.0 110.574 -176.463 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . 114.3 -15.67 20.27 Favored Glycine 0 N--CA 1.45 -0.43 0 CA-C-N 115.617 -0.719 . . . . 0.0 112.356 177.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 104' ' ' VAL . . . . . . . . . . . . . 38.4 t -60.85 -31.79 50.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 N-CA-C 110.087 -0.338 . . . . 0.0 110.087 178.294 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -51.01 -40.7 58.81 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.122 176.551 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 20.0 m -84.35 -36.08 22.77 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.537 -0.756 . . . . 0.0 111.56 -178.134 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 25.9 m -61.66 -32.53 72.71 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.198 0.523 . . . . 0.0 110.505 178.653 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 108' ' ' LEU . . . . . 0.634 ' O ' HG12 ' B' ' 111' ' ' VAL . 4.1 mt -61.18 -38.15 85.47 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.208 176.419 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 109' ' ' ASN . . . . . . . . . . . . . 20.0 m-80 -64.09 -22.88 67.11 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.987 0.422 . . . . 0.0 111.12 178.667 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 110' ' ' VAL . . . . . . . . . . . . . 40.0 t -84.16 -38.26 13.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.616 -179.313 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 111' ' ' VAL . . . . . 0.634 HG12 ' O ' ' B' ' 108' ' ' LEU . 8.0 p -66.52 -28.32 42.98 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.183 0 CA-C-O 121.321 0.581 . . . . 0.0 110.25 -179.384 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 112' ' ' GLN . . . . . 0.552 ' HG3' ' O ' ' B' ' 108' ' ' LEU . 24.9 mt-30 -70.29 -24.6 63.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.652 179.33 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 113' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -82.87 -29.02 29.66 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.227 -0.897 . . . . 0.0 110.635 -173.274 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 12.1 p -88.46 -41.82 12.52 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.749 -0.659 . . . . 0.0 112.234 -173.678 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 115' ' ' VAL . . . . . 0.701 HG11 HD22 ' A' ' 81' ' ' LEU . 11.1 p -104.9 -19.97 6.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 120.932 0.396 . . . . 0.0 111.151 -173.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 116' ' ' GLY . . . . . . . . . . . . . . . -63.22 -18.72 60.9 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 121.193 -0.527 . . . . 0.0 112.838 -176.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 117' ' ' GLN . . . . . 0.402 HE21 ' HB2' ' B' ' 117' ' ' GLN . 0.0 OUTLIER -93.83 4.12 54.4 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.709 0.29 . . . . 0.0 111.209 179.793 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 118' ' ' TYR . . . . . 0.482 ' HB3' HD23 ' B' ' 76' ' ' LEU . 82.1 m-85 -116.11 -29.43 6.29 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.919 0.39 . . . . 0.0 110.406 177.774 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 119' ' ' VAL . . . . . 0.469 ' O ' ' HB3' ' A' ' 22' ' ' SER . 35.9 m -88.86 -0.58 8.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.866 176.875 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.51 -1.161 . . . . 0.0 111.409 178.791 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.465 ' HB3' ' O ' ' B' ' 119' ' ' VAL . 21.3 m . . . . . 0 N--CA 1.446 -0.661 0 CA-C-O 120.719 0.295 . . . . 0.0 110.857 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -146.97 127.61 14.22 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 116.089 -0.505 . . . . 0.0 109.786 179.048 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -86.81 -15.3 39.65 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.686 -176.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.529 ' HA2' HD21 ' A' ' 28' ' ' ASN . . . -66.62 -31.68 79.28 Favored Glycine 0 CA--C 1.509 -0.297 0 C-N-CA 121.008 -0.615 . . . . 0.0 112.37 -178.877 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.598 ' HB1' ' HB2' ' A' ' 78' ' ' GLN . . . -71.76 -11.27 60.74 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.108 0.48 . . . . 0.0 110.583 179.35 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.1 t -98.1 -47.43 12.42 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.46 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.119 -172.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.529 HD21 ' HA2' ' A' ' 25' ' ' GLY . 7.2 p30 -77.75 2.72 16.1 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 120.212 -0.595 . . . . 0.0 111.655 -175.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 78.9 ttt180 -90.04 -12.92 37.11 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.537 0.684 . . . . 0.0 110.081 175.83 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.663 ' HB3' HD12 ' B' ' 108' ' ' LEU . 69.4 mt -70.95 -24.1 62.36 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.714 -174.594 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 23.2 t -72.73 -8.43 55.34 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.223 0.535 . . . . 0.0 110.274 -178.751 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 46.4 m -82.63 159.95 22.58 Favored 'General case' 0 N--CA 1.443 -0.797 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.05 176.54 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.74 -18.92 61.65 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 111.873 0.323 . . . . 0.0 111.873 -178.175 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -52.35 -59.23 4.66 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.082 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.679 ' O ' HG23 ' A' ' 39' ' ' VAL . . . -60.67 -57.17 13.83 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.592 179.104 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.96 -32.73 21.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 112.025 -175.774 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 22.3 t -73.93 -20.63 60.32 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.513 -178.731 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.546 ' HD2' ' OE1' ' A' ' 82' ' ' GLU . 56.2 mtt180 -100.82 -45.05 5.58 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.646 0.736 . . . . 0.0 109.469 -179.22 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.679 HG23 ' O ' ' A' ' 35' ' ' ALA . 28.1 t -58.95 -45.05 92.24 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 114.481 -1.236 . . . . 0.0 110.965 -177.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.47 ' HB2' ' CB ' ' B' ' 101' ' ' SER . 92.6 p -72.82 -13.19 61.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.874 0.369 . . . . 0.0 111.341 -177.675 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 12.3 t -89.72 -6.94 55.57 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.004 0.43 . . . . 0.0 110.255 -178.049 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 39.0 m-80 -122.41 -2.31 9.01 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.539 -176.557 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.501 HG13 ' N ' ' A' ' 44' ' ' ALA . 5.0 pt -60.43 -39.73 81.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.074 178.734 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.501 ' N ' HG13 ' A' ' 43' ' ' ILE . . . -80.05 -8.17 59.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.041 0.448 . . . . 0.0 111.008 -177.482 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -87.13 -50.51 6.57 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.123 179.263 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.423 HG21 ' HB3' ' A' ' 87' ' ' LEU . 39.0 mt -66.23 -34.21 68.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.361 179.582 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.627 ' HB1' HD13 ' B' ' 96' ' ' ILE . . . -62.5 -18.73 62.55 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.976 -0.557 . . . . 0.0 111.595 178.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 36.1 t -93.83 -46.97 6.96 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.157 -177.704 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -94.33 -22.79 23.73 Favored Glycine 0 CA--C 1.517 0.204 0 C-N-CA 120.26 -0.971 . . . . 0.0 113.427 -174.302 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 75.2 -75.16 1.37 Allowed Glycine 0 N--CA 1.45 -0.393 0 N-CA-C 111.534 -0.626 . . . . 0.0 111.534 -177.445 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -115.76 -27.51 7.02 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.189 0.519 . . . . 0.0 110.294 179.382 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 6.7 m -69.36 -12.7 61.89 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.665 -179.309 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.417 ' CB ' ' HA ' ' A' ' 46' ' ' ILE . . . -89.27 -15.43 33.54 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.72 -178.443 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.406 ' HB2' ' HD3' ' A' ' 55' ' ' PRO . 65.3 mt -57.95 -56.16 37.58 Favored Pre-proline 0 CA--C 1.539 0.525 0 CA-C-N 116.146 -0.479 . . . . 0.0 112.071 -177.668 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.406 ' HD3' ' HB2' ' A' ' 54' ' ' LEU . 30.6 Cg_endo -67.29 -5.29 13.49 Favored 'Trans proline' 0 C--N 1.355 0.879 0 C-N-CA 122.195 1.93 . . . . 0.0 112.813 -178.373 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 10.9 m -98.92 -47.55 5.22 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.312 0.577 . . . . 0.0 110.015 175.728 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 78.3 t -77.43 -40.91 29.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.925 -172.525 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.49 HG12 ' HG ' ' A' ' 83' ' ' LEU . 54.8 mt -58.13 -43.01 84.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.099 176.851 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 69.6 m -72.13 -25.28 61.66 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.329 -0.85 . . . . 0.0 110.853 -178.252 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 -70.69 -52.86 18.27 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.044 0.45 . . . . 0.0 110.451 175.391 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 63.8 mt -70.41 -43.71 77.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.811 -175.567 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.448 ' O ' HG23 ' A' ' 66' ' ' VAL . 69.0 t80 -54.47 -48.01 72.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.168 -178.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 43.9 t -57.52 -36.79 72.03 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.134 0.492 . . . . 0.0 110.432 178.464 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -70.11 -36.36 71.92 Favored Glycine 0 N--CA 1.45 -0.426 0 CA-C-N 115.551 -0.75 . . . . 0.0 111.919 -177.059 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.659 HG12 HG11 ' A' ' 70' ' ' VAL . 66.0 t -74.46 -44.48 47.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 115.611 -0.294 . . . . 0.0 110.874 -179.872 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.448 HG23 ' O ' ' A' ' 62' ' ' TYR . 91.9 t -61.72 -42.57 94.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.36 -177.848 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -69.63 -3.81 16.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.811 -179.354 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 35.5 t -85.54 -11.91 52.95 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.11 179.783 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 90.54 36.64 6.84 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.284 -0.96 . . . . 0.0 112.143 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.659 HG11 HG12 ' A' ' 65' ' ' VAL . 14.5 p -94.01 161.39 2.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 176.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 45.3 t -61.97 147.84 45.71 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.711 0.291 . . . . 0.0 110.292 176.821 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 6.7 m -53.98 -57.84 9.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.014 -0.539 . . . . 0.0 112.258 -173.311 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -76.67 -26.96 55.37 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.079 0.466 . . . . 0.0 110.258 -174.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -70.86 -28.79 64.84 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.261 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.533 ' HB2' HG13 ' A' ' 70' ' ' VAL . . . -60.1 -39.87 87.66 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.681 -0.69 . . . . 0.0 111.393 177.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.449 HD23 ' HB3' ' A' ' 118' ' ' TYR . 2.7 tm? -54.28 -48.35 71.32 Favored 'General case' 0 CA--C 1.519 -0.233 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 177.815 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.716 ' O ' ' HG ' ' A' ' 81' ' ' LEU . 30.6 mm -63.61 -56.03 19.31 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 CA-C-N 115.343 -0.844 . . . . 0.0 111.313 -176.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . 0.598 ' HB2' ' HB1' ' A' ' 26' ' ' ALA . 52.0 tt0 -55.69 -48.71 74.64 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-O 120.895 0.379 . . . . 0.0 110.918 -178.833 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.46 -37.98 82.72 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.158 -179.282 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.488 ' O ' HD23 ' A' ' 84' ' ' LEU . 2.6 mm? -68.13 -35.05 77.49 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-O 120.697 0.284 . . . . 0.0 111.016 175.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.716 ' HG ' ' O ' ' A' ' 77' ' ' ILE . 65.7 mt -69.06 -37.2 78.4 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.058 0.456 . . . . 0.0 110.452 179.139 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.546 ' OE1' ' HD2' ' A' ' 38' ' ' ARG . 55.8 mt-10 -73.69 -17.28 61.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.293 0.568 . . . . 0.0 110.58 175.422 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.49 ' HG ' HG12 ' A' ' 58' ' ' ILE . 3.4 tm? -84.63 -43.09 14.74 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.993 -0.548 . . . . 0.0 109.73 176.338 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.488 HD23 ' O ' ' A' ' 80' ' ' LEU . 3.7 mm? -69.69 -3.63 16.07 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.517 -0.765 . . . . 0.0 112.334 -176.653 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -101.61 -32.08 10.52 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 120.759 0.314 . . . . 0.0 111.189 -179.768 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -66.69 -44.7 81.02 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.265 0.555 . . . . 0.0 110.96 -177.618 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.495 HD12 ' N ' ' A' ' 88' ' ' VAL . 1.0 OUTLIER -78.95 -21.05 47.77 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.605 -0.725 . . . . 0.0 112.76 -173.097 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.569 HG11 HD11 ' B' ' 54' ' ' LEU . 17.2 m -87.87 -25.78 5.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 C-N-CA 120.32 -0.552 . . . . 0.0 110.634 178.367 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 69.1 t60 -69.48 -35.57 75.7 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.486 179.189 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.485 ' HA ' HG11 ' B' ' 99' ' ' VAL . 25.7 m -66.7 -28.92 44.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.484 -175.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.621 ' HA ' ' HB3' ' A' ' 94' ' ' ALA . 3.0 mm? -61.22 -28.52 69.21 Favored 'General case' 0 CA--C 1.52 -0.178 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.987 178.89 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 66.9 m -54.96 -33.27 62.19 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.824 -0.626 . . . . 0.0 111.588 -179.416 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 10.7 t -119.12 10.85 12.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.503 0.668 . . . . 0.0 110.003 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.621 ' HB3' ' HA ' ' A' ' 91' ' ' LEU . . . -98.5 98.39 9.58 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.782 -0.645 . . . . 0.0 109.874 177.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 25.9 t -71.56 86.58 0.89 Allowed 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.918 -0.583 . . . . 0.0 109.764 178.35 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.662 HD13 ' HB1' ' B' ' 47' ' ' ALA . 15.7 tt -65.53 140.65 19.29 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.383 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.84 178.297 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -86.43 -88.83 0.99 Allowed Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.4 -179.153 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 9.5 t30 -144.87 117.18 8.46 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.725 0.298 . . . . 0.0 110.488 -179.784 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.459 HG13 HD11 ' A' ' 96' ' ' ILE . 2.8 m -106.58 161.62 5.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.704 178.344 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 36.5 m -148.91 161.9 40.94 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 -179.498 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . 0.426 ' HB3' ' HB2' ' B' ' 40' ' ' SER . 16.3 m -77.18 41.14 0.29 Allowed 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.019 0.438 . . . . 0.0 111.545 -176.003 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 56.4 t -114.76 112.33 39.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.846 -175.277 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 100.26 0.12 55.87 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.753 -0.737 . . . . 0.0 113.71 175.458 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.446 ' O ' HD23 ' A' ' 108' ' ' LEU . 11.1 t -62.54 -31.23 51.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 117.253 0.527 . . . . 0.0 110.559 -179.188 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -50.05 -44.2 51.43 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-O 121.388 0.613 . . . . 0.0 110.717 177.572 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 20.0 m -74.49 -25.47 59.39 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.637 -0.71 . . . . 0.0 111.507 -178.208 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 20.5 m -70.29 -38.45 75.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.918 0.389 . . . . 0.0 110.208 -179.631 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.701 HD12 ' HB3' ' B' ' 30' ' ' LEU . 4.5 mm? -58.37 -33.52 69.68 Favored 'General case' 0 C--O 1.223 -0.328 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.801 177.618 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 14.5 m-80 -71.35 -23.17 61.86 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.868 -178.756 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 38.9 t -86.56 -36.91 10.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-O 120.756 0.312 . . . . 0.0 110.762 -177.37 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.576 HG12 ' O ' ' A' ' 108' ' ' LEU . 9.4 p -63.42 -28.28 44.7 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.337 0 CA-C-O 121.423 0.63 . . . . 0.0 110.611 -178.669 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . 0.554 ' HG3' ' O ' ' A' ' 108' ' ' LEU . 22.7 mt-30 -67.5 -21.02 65.52 Favored 'General case' 0 CA--C 1.518 -0.265 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.947 -179.238 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -79.02 -39.83 32.99 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.583 -177.159 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 5.3 m -77.02 -44.94 28.98 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.131 -0.941 . . . . 0.0 111.934 -170.561 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.673 HG11 HD22 ' B' ' 81' ' ' LEU . 12.8 p -106.48 -18.16 7.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 121.09 0.471 . . . . 0.0 111.376 -172.827 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -63.52 -17.0 59.37 Favored Glycine 0 CA--C 1.517 0.21 0 CA-C-N 116.078 -0.51 . . . . 0.0 113.193 -177.291 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -92.54 1.98 56.95 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.829 0.315 . . . . 0.0 111.239 179.589 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . 0.449 ' HB3' HD23 ' A' ' 76' ' ' LEU . 79.6 m-85 -113.79 -36.72 4.75 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.241 0.543 . . . . 0.0 109.685 178.678 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.432 HG21 HG21 ' B' ' 27' ' ' VAL . 33.9 m . . . . . 0 C--N 1.324 -0.524 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.913 178.579 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 6.4 m . . . . . 0 N--CA 1.443 -0.809 0 N-CA-C 110.3 -0.259 . . . . 0.0 110.3 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 23' ' ' TYR . . . . . 0.529 ' CE1' ' HA ' ' B' ' 74' ' ' GLU . 0.1 OUTLIER -148.8 119.32 7.41 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.084 -0.507 . . . . 0.0 109.889 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -79.99 -11.99 59.74 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.823 179.395 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 25' ' ' GLY . . . . . 0.456 ' HA2' ' ND2' ' B' ' 28' ' ' ASN . . . -66.24 -34.25 87.54 Favored Glycine 0 CA--C 1.505 -0.575 0 N-CA-C 111.541 -0.624 . . . . 0.0 111.541 176.793 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 26' ' ' ALA . . . . . 0.449 ' HB1' ' HB2' ' B' ' 78' ' ' GLN . . . -75.43 1.61 13.55 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.037 0.446 . . . . 0.0 110.887 178.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 27' ' ' VAL . . . . . 0.476 ' O ' ' HG ' ' B' ' 30' ' ' LEU . 2.3 t -114.8 -48.93 4.98 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.494 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.9 -177.872 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 28' ' ' ASN . . . . . 0.456 ' ND2' ' HA2' ' B' ' 25' ' ' GLY . 9.1 p30 -75.46 -4.68 41.01 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.303 -0.559 . . . . 0.0 110.966 -175.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 78.9 ttt180 -91.65 -4.31 55.35 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.377 0.608 . . . . 0.0 110.034 175.778 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . 0.701 ' HB3' HD12 ' A' ' 108' ' ' LEU . 84.6 mt -70.04 -33.71 72.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.168 -178.414 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 32.8 t -71.1 -6.18 37.3 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.64 -178.265 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 70.8 m -77.2 151.78 35.06 Favored 'General case' 0 N--CA 1.442 -0.841 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.58 176.78 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.31 -23.07 62.14 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.309 -179.265 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -49.71 -56.17 11.17 Favored 'General case' 0 CA--C 1.515 -0.384 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.031 177.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 35' ' ' ALA . . . . . 0.548 ' O ' HG23 ' B' ' 39' ' ' VAL . . . -68.37 -56.01 9.98 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.686 -178.611 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -48.38 -40.38 25.51 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 112.419 0.526 . . . . 0.0 112.419 -175.462 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 23.9 t -67.78 -28.53 67.68 Favored 'General case' 0 CA--C 1.538 0.49 0 N-CA-C 111.787 0.291 . . . . 0.0 111.787 -178.48 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 38' ' ' ARG . . . . . 0.408 HH11 ' HD2' ' B' ' 38' ' ' ARG . 44.7 mtm105 -96.05 -39.43 9.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.285 0.564 . . . . 0.0 109.98 -176.641 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 39' ' ' VAL . . . . . 0.548 HG23 ' O ' ' B' ' 35' ' ' ALA . 67.8 t -59.77 -41.93 87.13 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-N 115.103 -0.953 . . . . 0.0 110.53 176.881 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 40' ' ' SER . . . . . 0.464 ' O ' HG12 ' B' ' 43' ' ' ILE . 93.7 p -76.71 -8.32 57.04 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.714 -177.681 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 23.1 t -93.82 -6.28 46.22 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.351 0.596 . . . . 0.0 109.788 178.503 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 39.7 m-80 -118.93 -4.05 10.67 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.869 -177.612 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 43' ' ' ILE . . . . . 0.536 HG13 ' N ' ' B' ' 44' ' ' ALA . 5.8 pt -60.32 -39.64 81.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 121.039 0.447 . . . . 0.0 110.746 176.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 44' ' ' ALA . . . . . 0.536 ' N ' HG13 ' B' ' 43' ' ' ILE . . . -82.05 -3.83 55.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.69 -176.367 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -92.16 -53.1 4.38 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.221 178.747 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 46' ' ' ILE . . . . . 0.415 ' HA ' ' CB ' ' B' ' 53' ' ' ALA . 44.5 mt -63.35 -37.13 78.71 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.392 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . 0.662 ' HB1' HD13 ' A' ' 96' ' ' ILE . . . -61.02 -25.45 66.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.142 0.496 . . . . 0.0 111.642 -179.296 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 27.3 t -97.69 -7.35 31.06 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.471 -175.472 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -121.11 -32.65 1.04 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.372 -0.918 . . . . 0.0 112.899 -177.539 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 81.95 -71.29 2.98 Favored Glycine 0 N--CA 1.446 -0.687 0 N-CA-C 111.658 -0.577 . . . . 0.0 111.658 -178.221 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -126.74 -28.28 2.99 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.662 0.267 . . . . 0.0 111.199 -179.145 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 34.4 p -74.01 -7.77 53.68 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.168 0.508 . . . . 0.0 110.954 -177.616 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . 0.415 ' CB ' ' HA ' ' B' ' 46' ' ' ILE . . . -88.82 -17.65 29.31 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.632 178.868 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 54' ' ' LEU . . . . . 0.569 HD11 HG11 ' A' ' 88' ' ' VAL . 28.6 mt -56.11 -57.05 24.66 Favored Pre-proline 0 CA--C 1.534 0.346 0 CA-C-N 116.301 -0.409 . . . . 0.0 112.04 -178.008 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 55' ' ' PRO . . . . . 0.459 ' HD2' ' N ' ' B' ' 54' ' ' LEU . 20.9 Cg_endo -61.77 -16.11 46.75 Favored 'Trans proline' 0 C--N 1.35 0.645 0 C-N-CA 122.274 1.982 . . . . 0.0 112.493 -176.869 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 6.3 m -94.05 -45.23 7.67 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.498 179.23 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 68.1 t -76.89 -40.49 31.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.582 -173.774 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 58' ' ' ILE . . . . . 0.529 HG12 ' HG ' ' B' ' 83' ' ' LEU . 73.3 mt -59.1 -35.24 56.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.444 175.178 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 17.6 t -69.64 -44.02 71.44 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-N 115.501 -0.772 . . . . 0.0 109.972 -179.371 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 89.3 m-20 -58.39 -49.46 77.16 Favored 'General case' 0 CA--C 1.52 -0.21 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.672 179.635 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . 0.486 ' O ' HG23 ' B' ' 65' ' ' VAL . 63.5 mt -70.62 -48.1 60.57 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-N 115.347 -0.842 . . . . 0.0 111.606 -177.049 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 62' ' ' TYR . . . . . 0.434 ' O ' HG23 ' B' ' 66' ' ' VAL . 58.0 t80 -53.81 -51.53 63.21 Favored 'General case' 0 N--CA 1.465 0.314 0 O-C-N 123.151 0.282 . . . . 0.0 111.356 -178.387 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 10.0 t -60.34 -33.18 72.04 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.232 0.539 . . . . 0.0 110.148 -178.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -71.9 -32.12 63.96 Favored Glycine 0 N--CA 1.451 -0.33 0 CA-C-N 115.75 -0.659 . . . . 0.0 112.069 -179.255 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 65' ' ' VAL . . . . . 0.702 HG12 HG11 ' B' ' 70' ' ' VAL . 60.6 t -78.03 -43.3 28.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-O 120.889 0.376 . . . . 0.0 110.598 179.566 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 66' ' ' VAL . . . . . 0.434 HG23 ' O ' ' B' ' 62' ' ' TYR . 92.2 t -61.58 -40.29 86.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.122 -178.449 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -66.55 -13.92 61.63 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-O 120.905 0.383 . . . . 0.0 111.828 179.515 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 34.8 t -76.72 -18.15 58.67 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.121 -178.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 94.69 39.33 4.7 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.332 -0.937 . . . . 0.0 111.953 -177.541 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . 0.702 HG11 HG12 ' B' ' 65' ' ' VAL . 14.1 p -93.54 162.46 2.4 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 176.636 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 34.7 t -64.33 141.92 58.6 Favored 'General case' 0 N--CA 1.451 -0.393 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 174.747 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 8.7 m -52.65 -45.55 66.77 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 112.562 0.579 . . . . 0.0 112.562 -173.068 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -85.09 -23.8 28.35 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.725 -0.39 . . . . 0.0 110.7 -176.451 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 74' ' ' GLU . . . . . 0.529 ' HA ' ' CE1' ' B' ' 23' ' ' TYR . 39.9 tt0 -71.92 -29.89 64.78 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-O 121.181 0.515 . . . . 0.0 109.772 178.261 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . 0.419 ' HB2' HG13 ' B' ' 70' ' ' VAL . . . -57.51 -38.06 74.02 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-N 115.348 -0.842 . . . . 0.0 111.397 177.331 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 76' ' ' LEU . . . . . 0.511 HD23 ' HB3' ' B' ' 118' ' ' TYR . 2.6 tm? -55.88 -51.4 67.71 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.045 0.45 . . . . 0.0 109.827 179.617 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 77' ' ' ILE . . . . . 0.643 ' O ' ' HG ' ' B' ' 81' ' ' LEU . 35.5 mm -62.19 -52.7 57.14 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 115.562 -0.745 . . . . 0.0 111.099 -176.197 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 78' ' ' GLN . . . . . 0.449 ' HB2' ' HB1' ' B' ' 26' ' ' ALA . 29.9 tt0 -57.95 -47.99 81.26 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 121.017 -0.273 . . . . 0.0 110.648 179.68 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -59.19 -41.46 88.55 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.914 0.388 . . . . 0.0 110.903 -178.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 80' ' ' LEU . . . . . 0.694 ' O ' ' HG ' ' B' ' 84' ' ' LEU . 3.6 mm? -67.18 -43.52 81.97 Favored 'General case' 0 C--O 1.22 -0.451 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.249 178.273 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . 0.673 HD22 HG11 ' A' ' 115' ' ' VAL . 13.3 mt -66.23 -41.74 89.64 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.926 0.393 . . . . 0.0 111.261 -176.717 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 91.6 mt-10 -63.43 -37.0 85.59 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.403 0.621 . . . . 0.0 109.882 174.427 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 83' ' ' LEU . . . . . 0.529 ' HG ' HG12 ' B' ' 58' ' ' ILE . 3.4 tm? -62.31 -44.46 96.47 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.121 175.888 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 84' ' ' LEU . . . . . 0.694 ' HG ' ' O ' ' B' ' 80' ' ' LEU . 14.0 mt -63.1 -17.92 62.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.852 -178.087 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 27.8 m -89.38 -30.39 18.41 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 120.788 0.327 . . . . 0.0 110.75 -175.47 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -68.59 -42.91 77.55 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.311 0.576 . . . . 0.0 110.558 -177.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 87' ' ' LEU . . . . . 0.566 HD12 ' N ' ' B' ' 88' ' ' VAL . 1.8 pp -81.2 -25.46 36.73 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 112.885 0.698 . . . . 0.0 112.885 -172.126 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 88' ' ' VAL . . . . . 0.566 ' N ' HD12 ' B' ' 87' ' ' LEU . 17.8 m -83.7 -22.16 8.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 C-N-CA 120.243 -0.583 . . . . 0.0 110.509 176.672 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 89' ' ' HIS . . . . . . . . . . . . . 72.1 t60 -68.71 -39.72 80.31 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.202 178.299 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 90' ' ' VAL . . . . . 0.562 HG22 ' O ' ' B' ' 87' ' ' LEU . 17.7 m -62.51 -26.57 40.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.533 -175.872 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 91' ' ' LEU . . . . . 0.64 ' HA ' ' HB3' ' B' ' 94' ' ' ALA . 3.0 mm? -63.11 -23.38 67.42 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.239 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 27.9 t -58.19 -31.24 67.11 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.884 178.819 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 63.9 m -125.53 20.6 7.92 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-O 121.159 0.504 . . . . 0.0 110.698 179.027 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 94' ' ' ALA . . . . . 0.64 ' HB3' ' HA ' ' B' ' 91' ' ' LEU . . . -110.62 99.38 8.35 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.407 177.546 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 8.6 t -76.57 85.43 3.25 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.202 -0.454 . . . . 0.0 109.92 179.549 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 96' ' ' ILE . . . . . 0.627 HD13 ' HB1' ' A' ' 47' ' ' ALA . 15.2 tt -65.48 137.67 24.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.876 179.268 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 97' ' ' GLY . . . . . . . . . . . . . . . -84.34 -88.01 0.85 Allowed Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.535 -0.841 . . . . 0.0 112.463 -177.81 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 98' ' ' ASN . . . . . . . . . . . . . 9.3 t30 -151.35 113.69 4.58 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.79 0.329 . . . . 0.0 110.648 -178.316 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 99' ' ' VAL . . . . . 0.485 HG11 ' HA ' ' A' ' 90' ' ' VAL . 7.2 m -102.69 140.43 21.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.556 -177.338 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 100' ' ' SER . . . . . . . . . . . . . 25.0 m -110.1 161.16 15.82 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.259 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 101' ' ' SER . . . . . 0.47 ' CB ' ' HB2' ' A' ' 40' ' ' SER . 3.4 p -82.59 6.56 17.26 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.128 0.489 . . . . 0.0 111.68 -177.606 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 54.8 t -92.11 113.9 28.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.696 -179.082 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . 114.82 -6.68 22.13 Favored Glycine 0 N--CA 1.448 -0.519 0 CA-C-N 115.662 -0.699 . . . . 0.0 112.661 174.642 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 104' ' ' VAL . . . . . . . . . . . . . 23.5 t -64.25 -32.87 59.23 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.152 0 N-CA-C 110.068 -0.345 . . . . 0.0 110.068 178.83 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -49.14 -41.68 36.97 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.945 179.316 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 14.9 m -75.33 -27.84 59.39 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.463 -178.44 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 24.7 m -73.46 -29.43 62.53 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.993 0.425 . . . . 0.0 110.22 -175.693 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 108' ' ' LEU . . . . . 0.663 HD12 ' HB3' ' A' ' 30' ' ' LEU . 4.1 mm? -59.98 -39.81 87.0 Favored 'General case' 0 C--O 1.223 -0.32 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.522 175.421 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 109' ' ' ASN . . . . . . . . . . . . . 12.7 m-80 -65.1 -25.32 67.73 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.376 -178.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 110' ' ' VAL . . . . . . . . . . . . . 25.9 t -84.83 -36.05 10.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.912 0.387 . . . . 0.0 110.978 -178.191 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 111' ' ' VAL . . . . . 0.653 HG12 ' O ' ' B' ' 108' ' ' LEU . 10.0 p -65.12 -30.37 50.11 Favored 'Isoleucine or valine' 0 C--O 1.234 0.269 0 CA-C-O 121.255 0.55 . . . . 0.0 109.902 178.797 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 112' ' ' GLN . . . . . 0.615 ' HG3' ' O ' ' B' ' 108' ' ' LEU . 24.3 mt-30 -65.24 -28.51 69.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.428 -0.806 . . . . 0.0 110.534 178.653 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 113' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -82.66 -29.9 29.67 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.554 -176.152 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 114' ' ' SER . . . . . 0.439 ' OG ' ' HD3' ' B' ' 55' ' ' PRO . 13.3 m -78.73 -47.64 16.46 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.146 -0.933 . . . . 0.0 111.54 -173.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 115' ' ' VAL . . . . . 0.431 HG12 ' O ' ' B' ' 111' ' ' VAL . 11.7 p -109.3 -17.2 8.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 121.082 0.468 . . . . 0.0 111.309 -173.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 116' ' ' GLY . . . . . . . . . . . . . . . -59.38 -25.61 60.71 Favored Glycine 0 C--O 1.229 -0.186 0 CA-C-N 116.034 -0.53 . . . . 0.0 112.905 -178.732 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -88.7 5.8 41.55 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.556 0.217 . . . . 0.0 111.517 -179.018 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 118' ' ' TYR . . . . . 0.511 ' HB3' HD23 ' B' ' 76' ' ' LEU . 65.2 m-85 -117.62 -27.08 6.39 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.12 0.486 . . . . 0.0 109.827 177.201 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 119' ' ' VAL . . . . . 0.465 ' O ' ' HB3' ' A' ' 22' ' ' SER . 31.0 m -87.8 0.15 7.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.067 173.127 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.23 0 CA-C-O 118.199 -1.334 . . . . 0.0 110.879 175.711 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 34.8 m . . . . . 0 N--CA 1.446 -0.671 0 N-CA-C 110.083 -0.34 . . . . 0.0 110.083 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.674 ' CE1' ' HA ' ' A' ' 74' ' ' GLU . 0.0 OUTLIER -156.73 120.71 4.33 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.032 -177.434 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.85 -22.62 49.62 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.368 -179.741 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.413 ' HA2' HD22 ' A' ' 28' ' ' ASN . . . -62.0 -32.71 83.14 Favored Glycine 0 N--CA 1.453 -0.225 0 C-N-CA 120.959 -0.639 . . . . 0.0 111.916 -178.616 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.496 ' HB1' ' HB2' ' A' ' 78' ' ' GLN . . . -69.19 -15.56 63.42 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.11 0.481 . . . . 0.0 110.418 179.381 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.426 HG12 ' HG2' ' B' ' 112' ' ' GLN . 2.9 t -93.94 -42.83 13.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.431 -178.208 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.413 HD22 ' HA2' ' A' ' 25' ' ' GLY . 51.6 m-80 -64.39 -34.5 78.32 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 121.045 0.45 . . . . 0.0 110.881 -177.044 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 71.1 ttt180 -63.33 -19.15 64.37 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.416 -178.097 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.759 ' HB3' HD12 ' B' ' 108' ' ' LEU . 89.5 mt -61.92 -30.32 70.82 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.965 -176.688 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 28.3 p -78.96 5.42 11.67 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.01 0.433 . . . . 0.0 111.528 -176.1 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 50.2 m -95.04 160.48 14.55 Favored 'General case' 0 N--CA 1.441 -0.904 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 174.559 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.65 -17.0 53.62 Favored 'General case' 0 N--CA 1.466 0.363 0 N-CA-C 112.586 0.587 . . . . 0.0 112.586 -175.259 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -56.74 -61.09 2.67 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.592 -0.276 . . . . 0.0 111.132 -179.354 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.683 ' O ' HG23 ' A' ' 39' ' ' VAL . . . -56.6 -59.98 4.21 Favored 'General case' 0 CA--C 1.515 -0.389 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.772 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -47.07 -34.91 6.33 Favored 'General case' 0 C--N 1.33 -0.243 0 O-C-N 123.543 0.527 . . . . 0.0 112.252 -175.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 9.6 t -67.8 -32.75 73.52 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.484 -178.379 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 84.6 mtt-85 -95.08 -36.42 11.52 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.382 0.611 . . . . 0.0 109.817 -177.006 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.683 HG23 ' O ' ' A' ' 35' ' ' ALA . 41.5 t -61.14 -46.08 97.32 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-N 115.227 -0.897 . . . . 0.0 110.664 178.844 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 80.8 p -74.67 -6.17 47.26 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.541 -178.481 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 38.0 t -92.41 -11.23 35.41 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.589 179.322 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 42.9 m-80 -118.67 0.36 11.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.967 0.413 . . . . 0.0 111.064 -176.533 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.453 HG13 ' N ' ' A' ' 44' ' ' ALA . 4.6 pt -61.35 -40.32 85.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.022 177.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.453 ' N ' HG13 ' A' ' 43' ' ' ILE . . . -81.1 -3.96 53.73 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.086 0.47 . . . . 0.0 111.032 -178.139 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -86.72 -52.5 5.48 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.28 0.562 . . . . 0.0 109.673 176.635 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 50.4 mt -65.04 -36.03 76.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.632 179.806 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.653 ' HB1' HD13 ' B' ' 96' ' ' ILE . . . -64.87 -14.05 58.33 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.729 -178.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 29.8 t -103.66 -28.04 11.93 Favored 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 121.027 -0.269 . . . . 0.0 111.469 -178.191 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -109.49 -21.77 7.07 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.33 -0.938 . . . . 0.0 113.359 -175.619 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 74.86 -80.45 0.93 Allowed Glycine 0 N--CA 1.447 -0.588 0 N-CA-C 111.204 -0.758 . . . . 0.0 111.204 -178.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -114.08 -23.21 9.64 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-O 121.203 0.525 . . . . 0.0 110.177 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 8.9 t -78.84 3.04 17.97 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.502 -176.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.42 ' O ' HG23 ' A' ' 57' ' ' VAL . . . -101.63 -20.15 15.15 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.184 177.359 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.432 ' N ' ' HD2' ' A' ' 55' ' ' PRO . 54.9 mt -52.54 -57.97 13.62 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 115.679 -0.692 . . . . 0.0 111.978 -175.713 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.432 ' HD2' ' N ' ' A' ' 54' ' ' LEU . 18.1 Cg_endo -61.37 -23.73 77.36 Favored 'Trans proline' 0 C--N 1.353 0.784 0 C-N-CA 122.075 1.85 . . . . 0.0 112.419 -176.558 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 20.8 m -87.41 -38.15 16.4 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.901 -178.446 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.42 HG23 ' O ' ' A' ' 53' ' ' ALA . 78.4 t -77.99 -40.48 26.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.034 -175.743 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.5 HG12 HD22 ' A' ' 83' ' ' LEU . 69.8 mt -56.68 -42.73 77.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.114 174.41 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 32.9 t -67.89 -37.73 82.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.427 -178.345 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 86.8 m-20 -58.12 -55.79 30.39 Favored 'General case' 0 CA--C 1.516 -0.346 0 CA-C-O 121.347 0.594 . . . . 0.0 110.237 177.609 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.502 ' O ' HG23 ' A' ' 65' ' ' VAL . 57.7 mt -69.44 -47.24 73.65 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-N 115.178 -0.919 . . . . 0.0 111.554 -176.197 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.474 ' O ' HG23 ' A' ' 66' ' ' VAL . 53.7 t80 -51.83 -59.56 4.17 Favored 'General case' 0 N--CA 1.466 0.354 0 O-C-N 123.061 0.225 . . . . 0.0 111.393 -177.402 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 17.9 t -62.34 -26.77 68.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.093 0.473 . . . . 0.0 110.739 -177.026 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -71.25 -45.43 48.71 Favored Glycine 0 N--CA 1.447 -0.594 0 C-N-CA 120.868 -0.682 . . . . 0.0 111.543 177.185 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.654 HG12 HG11 ' A' ' 70' ' ' VAL . 58.7 t -68.72 -41.14 82.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.686 -0.257 . . . . 0.0 111.09 -179.736 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.474 HG23 ' O ' ' A' ' 62' ' ' TYR . 84.3 t -59.07 -43.81 90.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.979 0.419 . . . . 0.0 110.339 178.784 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -75.24 -0.27 18.94 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.302 179.364 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.444 ' HB3' ' O ' ' A' ' 65' ' ' VAL . 48.2 t -90.43 -11.57 40.04 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.76 178.263 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 104.81 21.33 9.17 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.104 -1.046 . . . . 0.0 113.342 177.633 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.654 HG11 HG12 ' A' ' 65' ' ' VAL . 7.3 p -86.95 163.94 2.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 177.218 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 9.0 t -70.79 153.92 42.32 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 174.521 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 8.4 p -57.37 -62.44 1.77 Allowed 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 112.678 0.621 . . . . 0.0 112.678 -171.386 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -71.76 -28.44 63.65 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.048 0.451 . . . . 0.0 110.369 -176.734 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.674 ' HA ' ' CE1' ' A' ' 23' ' ' TYR . 39.1 tt0 -64.53 -28.83 69.91 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.257 179.506 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.438 ' HB2' ' CG1' ' A' ' 70' ' ' VAL . . . -63.02 -32.45 73.82 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.339 -0.846 . . . . 0.0 111.423 177.878 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -58.29 -48.66 79.78 Favored 'General case' 0 CA--C 1.518 -0.276 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 179.157 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.725 ' O ' ' HG ' ' A' ' 81' ' ' LEU . 30.8 mm -62.77 -55.71 22.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.92 -178.897 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . 0.496 ' HB2' ' HB1' ' A' ' 26' ' ' ALA . 9.2 tt0 -56.96 -48.07 79.22 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 121.072 -0.251 . . . . 0.0 111.465 179.314 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.16 -38.01 81.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.704 0.288 . . . . 0.0 111.04 -178.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.727 ' O ' ' HG ' ' A' ' 84' ' ' LEU . 10.0 mt -69.11 -44.26 72.79 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.894 176.584 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.725 ' HG ' ' O ' ' A' ' 77' ' ' ILE . 61.2 mt -61.4 -37.83 84.86 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.84 0.353 . . . . 0.0 110.849 179.712 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -68.69 -25.7 64.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.937 175.207 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.5 HD22 HG12 ' A' ' 58' ' ' ILE . 26.3 tp -77.64 -40.86 40.4 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.038 0.447 . . . . 0.0 110.256 175.746 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.727 ' HG ' ' O ' ' A' ' 80' ' ' LEU . 15.7 mt -63.44 -16.23 59.99 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.383 -0.826 . . . . 0.0 111.366 -176.177 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.4 p -96.83 -23.59 16.3 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.706 0.289 . . . . 0.0 111.372 -176.701 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -74.75 -45.42 44.05 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.423 0.63 . . . . 0.0 110.371 -179.607 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.509 HD12 ' N ' ' A' ' 88' ' ' VAL . 1.3 pp -77.47 -22.13 51.82 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.384 -0.826 . . . . 0.0 112.66 -172.673 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.509 ' N ' HD12 ' A' ' 87' ' ' LEU . 14.4 m -85.69 -22.78 7.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 C-N-CA 120.26 -0.576 . . . . 0.0 110.817 177.873 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 72.6 t60 -71.34 -37.69 71.69 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.178 178.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.453 HG22 ' O ' ' A' ' 87' ' ' LEU . 22.5 m -65.17 -26.71 40.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.484 -174.885 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.591 ' HA ' ' HB3' ' A' ' 94' ' ' ALA . 3.9 mm? -65.99 -21.07 66.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.566 -0.288 . . . . 0.0 111.409 179.026 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 32.4 t -66.55 -26.69 67.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.947 0.403 . . . . 0.0 110.572 179.2 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . 0.623 ' HB2' HG12 ' B' ' 99' ' ' VAL . 61.1 m -108.89 -17.61 13.88 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.677 0.751 . . . . 0.0 110.131 -179.224 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.591 ' HB3' ' HA ' ' A' ' 91' ' ' LEU . . . -83.91 100.24 10.88 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.09 -0.959 . . . . 0.0 111.182 179.828 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 9.2 t -80.52 91.4 5.77 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 177.506 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.674 HD11 HG13 ' A' ' 99' ' ' VAL . 9.2 tt -64.68 147.55 12.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.419 -0.81 . . . . 0.0 112.248 -178.246 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -89.75 -89.72 1.25 Allowed Glycine 0 N--CA 1.45 -0.41 0 CA-C-N 115.895 -0.593 . . . . 0.0 112.29 176.055 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 8.5 t30 -147.61 108.51 4.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.955 0.377 . . . . 0.0 111.125 -178.336 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.674 HG13 HD11 ' A' ' 96' ' ' ILE . 3.2 m -91.61 147.34 5.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.286 179.551 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 57.7 m -117.45 158.33 24.69 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.447 -179.739 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 4.2 p -76.4 -10.95 59.78 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.231 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 23.8 t -81.74 109.21 15.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.956 -176.488 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 123.15 -15.78 8.2 Favored Glycine 0 N--CA 1.448 -0.524 0 CA-C-N 115.606 -0.724 . . . . 0.0 112.819 174.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 37.0 t -58.27 -33.31 46.95 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.194 0 CA-C-O 120.876 0.37 . . . . 0.0 110.112 179.271 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -49.0 -45.24 42.08 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.313 -0.858 . . . . 0.0 111.156 179.573 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 35.4 t -73.88 -26.06 60.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.784 -179.349 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 14.1 m -71.42 -30.25 65.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.271 0.557 . . . . 0.0 109.544 -178.091 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.558 HD12 ' HB3' ' B' ' 30' ' ' LEU . 4.1 mm? -62.79 -32.06 73.16 Favored 'General case' 0 C--O 1.223 -0.308 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.832 175.542 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . 0.492 HD22 ' N ' ' A' ' 109' ' ' ASN . 0.9 OUTLIER -71.12 -29.84 65.76 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.945 0.403 . . . . 0.0 110.28 -178.07 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 23.2 t -80.92 -39.08 17.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.965 -176.364 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.556 HG12 ' O ' ' A' ' 108' ' ' LEU . 9.8 p -60.81 -29.49 45.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 121.175 0.512 . . . . 0.0 110.639 -178.3 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . 0.515 ' HG3' ' O ' ' A' ' 108' ' ' LEU . 26.0 mt-30 -65.38 -35.55 81.31 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.622 -179.463 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -66.07 -36.34 82.94 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.164 -0.926 . . . . 0.0 110.812 -175.57 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 4.0 m -78.39 -34.54 48.06 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.225 -0.898 . . . . 0.0 112.515 -170.625 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.675 HG11 HD22 ' B' ' 81' ' ' LEU . 14.9 p -113.35 -23.88 4.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 N-CA-C 112.344 0.498 . . . . 0.0 112.344 -170.037 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -56.15 -30.41 57.72 Favored Glycine 0 C--N 1.332 0.361 0 C-N-CA 121.386 -0.435 . . . . 0.0 113.407 -175.419 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . 0.407 HE21 ' HB2' ' A' ' 117' ' ' GLN . 0.0 OUTLIER -79.33 -5.28 54.17 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 111.971 0.36 . . . . 0.0 111.971 -176.577 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 80.5 m-85 -108.78 -33.52 6.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.772 0.32 . . . . 0.0 110.848 178.697 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.4 ' O ' ' HB3' ' B' ' 22' ' ' SER . 29.6 m . . . . . 0 C--N 1.327 -0.41 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.374 -179.44 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 22' ' ' SER . . . . . 0.4 ' HB3' ' O ' ' A' ' 119' ' ' VAL . 15.1 m . . . . . 0 N--CA 1.452 -0.369 0 CA-C-O 120.927 0.394 . . . . 0.0 111.639 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -151.71 130.0 12.02 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.859 -0.61 . . . . 0.0 109.819 179.459 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -84.51 -22.89 30.03 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.829 0.347 . . . . 0.0 110.966 176.78 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.56 -28.12 73.28 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.831 -0.699 . . . . 0.0 112.492 -178.403 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 26' ' ' ALA . . . . . 0.496 ' HB1' ' HB2' ' B' ' 78' ' ' GLN . . . -68.43 -16.78 64.03 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.48 0.657 . . . . 0.0 110.255 177.318 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 27' ' ' VAL . . . . . 0.485 HG22 ' CD1' ' B' ' 81' ' ' LEU . 2.9 t -94.78 -37.35 7.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.045 179.462 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 66.0 m-20 -76.88 -10.46 59.39 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.584 -0.735 . . . . 0.0 111.257 -174.696 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 79.8 ttt180 -90.47 -3.3 57.75 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.406 0.622 . . . . 0.0 110.193 178.63 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . 0.558 ' HB3' HD12 ' A' ' 108' ' ' LEU . 90.6 mt -74.59 -29.34 61.28 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.899 -176.226 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 5.1 p -71.73 -8.96 57.35 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.049 0.452 . . . . 0.0 111.32 -179.083 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 71.1 m -74.39 154.99 38.57 Favored 'General case' 0 N--CA 1.442 -0.851 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.776 176.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.4 -20.44 63.06 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.924 178.545 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -49.93 -60.82 2.56 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.734 177.239 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 35' ' ' ALA . . . . . 0.643 ' O ' HG23 ' B' ' 39' ' ' VAL . . . -63.49 -54.28 38.82 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.947 -179.086 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -48.83 -33.47 10.59 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 112.466 0.543 . . . . 0.0 112.466 -176.326 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 33.9 m -76.32 -23.71 54.28 Favored 'General case' 0 CA--C 1.536 0.405 0 N-CA-C 112.025 0.379 . . . . 0.0 112.025 -179.114 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 38' ' ' ARG . . . . . 0.418 HH11 ' HD3' ' B' ' 38' ' ' ARG . 53.0 mtm-85 -96.07 -43.4 7.79 Favored 'General case' 0 CA--C 1.514 -0.427 0 CA-C-O 121.604 0.716 . . . . 0.0 109.725 -177.67 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 39' ' ' VAL . . . . . 0.643 HG23 ' O ' ' B' ' 35' ' ' ALA . 36.0 t -59.62 -42.29 87.82 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.847 0 CA-C-N 114.681 -1.145 . . . . 0.0 110.848 -179.544 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 40' ' ' SER . . . . . 0.472 ' O ' HG12 ' B' ' 43' ' ' ILE . 69.8 p -74.09 -13.02 60.77 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.627 -178.42 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 22.2 t -88.34 -12.99 41.83 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.191 0.519 . . . . 0.0 110.021 -178.388 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 42.7 m-80 -115.94 -3.29 12.16 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.19 -175.036 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 43' ' ' ILE . . . . . 0.486 HG13 ' N ' ' B' ' 44' ' ' ALA . 4.3 pt -60.54 -42.55 91.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 120.904 0.383 . . . . 0.0 111.093 178.803 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 44' ' ' ALA . . . . . 0.486 ' N ' HG13 ' B' ' 43' ' ' ILE . . . -77.07 -11.75 59.85 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.098 0.475 . . . . 0.0 110.87 -177.099 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -83.69 -53.29 5.75 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.952 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 46' ' ' ILE . . . . . 0.45 ' HA ' ' HB3' ' B' ' 53' ' ' ALA . 46.1 mt -64.65 -36.3 77.1 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.238 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.546 179.858 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.83 -21.84 66.22 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.699 -178.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 33.1 t -93.67 -40.44 10.25 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.132 -177.606 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -96.26 -19.88 26.92 Favored Glycine 0 CA--C 1.52 0.344 0 C-N-CA 120.449 -0.882 . . . . 0.0 113.261 -175.702 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 72.31 -75.16 0.82 Allowed Glycine 0 N--CA 1.451 -0.325 0 N-CA-C 111.498 -0.641 . . . . 0.0 111.498 -178.22 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -117.95 -23.12 7.58 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-O 120.986 0.422 . . . . 0.0 110.494 179.17 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 46.7 m -71.44 -14.44 62.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.968 -177.821 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . 0.45 ' HB3' ' HA ' ' B' ' 46' ' ' ILE . . . -89.52 -17.55 28.4 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.899 -178.511 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 54' ' ' LEU . . . . . 0.473 HD11 HG11 ' A' ' 88' ' ' VAL . 46.8 mt -53.65 -57.31 17.88 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 115.911 -0.586 . . . . 0.0 112.08 -176.494 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 55' ' ' PRO . . . . . 0.411 ' HD2' ' N ' ' B' ' 54' ' ' LEU . 36.0 Cg_endo -65.94 -7.04 15.68 Favored 'Trans proline' 0 C--N 1.354 0.817 0 C-N-CA 122.186 1.924 . . . . 0.0 112.9 -175.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 20.1 m -104.36 -37.13 7.34 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.969 0.414 . . . . 0.0 110.747 177.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 55.4 t -80.52 -39.43 18.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.406 -174.69 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 58' ' ' ILE . . . . . 0.596 HG12 HD22 ' B' ' 83' ' ' LEU . 54.6 mt -61.0 -38.68 80.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.877 177.889 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 22.8 t -66.99 -39.71 87.21 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.182 179.688 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 96.7 m-20 -58.09 -53.82 53.89 Favored 'General case' 0 CA--C 1.518 -0.286 0 CA-C-O 121.425 0.631 . . . . 0.0 110.643 178.595 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . 0.459 ' O ' HG23 ' B' ' 65' ' ' VAL . 54.8 mt -70.56 -46.34 70.43 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 115.205 -0.907 . . . . 0.0 111.4 -176.306 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 62' ' ' TYR . . . . . 0.561 ' O ' HG23 ' B' ' 66' ' ' VAL . 67.6 t80 -54.33 -59.32 4.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.078 -178.127 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 7.6 t -65.11 -27.15 68.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.482 -177.097 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -65.62 -42.99 95.2 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.874 -0.679 . . . . 0.0 111.566 177.358 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 65' ' ' VAL . . . . . 0.66 HG12 HG11 ' B' ' 70' ' ' VAL . 52.3 t -71.3 -42.71 74.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 120.874 0.369 . . . . 0.0 110.527 177.659 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 66' ' ' VAL . . . . . 0.561 HG23 ' O ' ' B' ' 62' ' ' TYR . 99.1 t -58.01 -33.73 47.06 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.249 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.033 -179.525 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.25 -23.48 64.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.7 178.836 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 40.1 t -74.32 -11.17 60.19 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 116.582 -0.281 . . . . 0.0 111.169 -178.794 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 95.06 25.77 13.8 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.604 -0.808 . . . . 0.0 112.199 178.275 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . 0.66 HG11 HG12 ' B' ' 65' ' ' VAL . 14.9 p -90.38 155.12 3.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 N-CA-C 109.94 -0.393 . . . . 0.0 109.94 179.77 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 36.9 t -60.12 137.73 58.04 Favored 'General case' 0 N--CA 1.453 -0.325 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 174.545 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 27.1 m -54.96 -39.76 69.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.87 0.367 . . . . 0.0 111.763 -176.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -72.21 -37.38 69.23 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.752 -177.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -71.6 -34.96 70.32 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 176.72 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . 0.604 ' HB2' HG13 ' B' ' 70' ' ' VAL . . . -61.05 -40.32 93.18 Favored 'General case' 0 C--O 1.224 -0.265 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.742 175.318 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 76' ' ' LEU . . . . . 0.465 HD23 ' HB3' ' B' ' 118' ' ' TYR . 3.3 tm? -51.02 -53.16 35.94 Favored 'General case' 0 CA--C 1.519 -0.232 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.852 177.866 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 77' ' ' ILE . . . . . 0.727 ' O ' ' HG ' ' B' ' 81' ' ' LEU . 36.1 mm -60.96 -53.72 45.3 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-N 115.306 -0.861 . . . . 0.0 111.104 -178.199 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 78' ' ' GLN . . . . . 0.496 ' HB2' ' HB1' ' B' ' 26' ' ' ALA . 49.7 tt0 -57.79 -48.41 79.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.861 0.362 . . . . 0.0 111.029 -179.202 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.26 -39.8 94.1 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.294 -177.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 80' ' ' LEU . . . . . 0.712 ' O ' ' HG ' ' B' ' 84' ' ' LEU . 2.8 mm? -62.42 -38.41 89.57 Favored 'General case' 0 C--O 1.221 -0.446 0 C-N-CA 121.068 -0.253 . . . . 0.0 110.627 175.48 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . 0.727 ' HG ' ' O ' ' B' ' 77' ' ' ILE . 26.8 mt -74.75 -35.48 62.61 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 120.84 0.352 . . . . 0.0 111.0 -178.095 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -66.13 -23.85 66.57 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.357 0.599 . . . . 0.0 110.121 171.563 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 83' ' ' LEU . . . . . 0.596 HD22 HG12 ' B' ' 58' ' ' ILE . 40.2 tp -79.27 -43.73 23.12 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.666 176.01 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 84' ' ' LEU . . . . . 0.712 ' HG ' ' O ' ' B' ' 80' ' ' LEU . 13.6 mt -66.08 -9.17 28.5 Favored 'General case' 0 C--O 1.223 -0.341 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.362 -175.028 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 1.6 p -99.27 -26.62 14.11 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.127 179.827 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 86' ' ' ALA . . . . . 0.423 ' O ' HG13 ' B' ' 90' ' ' VAL . . . -72.45 -44.94 61.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.415 0.626 . . . . 0.0 110.469 -178.389 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 87' ' ' LEU . . . . . 0.481 HD12 HG13 ' B' ' 88' ' ' VAL . 1.2 pp -80.48 -12.53 59.53 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.358 -0.837 . . . . 0.0 112.608 -172.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 88' ' ' VAL . . . . . 0.481 HG13 HD12 ' B' ' 87' ' ' LEU . 16.3 m -97.29 -24.31 4.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 C-N-CA 120.516 -0.474 . . . . 0.0 110.675 176.355 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 89' ' ' HIS . . . . . . . . . . . . . 68.2 t60 -69.05 -31.15 69.72 Favored 'General case' 0 N--CA 1.449 -0.511 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 177.661 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 90' ' ' VAL . . . . . 0.659 ' HA ' HG11 ' A' ' 99' ' ' VAL . 21.8 m -64.22 -27.2 42.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 C-N-CA 120.63 -0.428 . . . . 0.0 110.98 -177.248 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 91' ' ' LEU . . . . . 0.541 ' HA ' ' HB3' ' B' ' 94' ' ' ALA . 4.0 mm? -65.75 -20.14 66.16 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.977 179.139 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 34.8 t -62.42 -25.91 68.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.894 178.696 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 21.0 t -129.87 12.82 5.77 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.183 0.516 . . . . 0.0 110.436 179.655 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 94' ' ' ALA . . . . . 0.541 ' HB3' ' HA ' ' B' ' 91' ' ' LEU . . . -106.11 92.23 4.06 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.192 178.138 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 1.4 m -64.22 93.03 0.09 Allowed 'General case' 0 N--CA 1.429 -1.502 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.51 176.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 96' ' ' ILE . . . . . 0.653 HD13 ' HB1' ' A' ' 47' ' ' ALA . 18.7 tt -78.92 147.2 6.97 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.627 0 CA-C-O 120.818 0.342 . . . . 0.0 110.77 -179.195 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 97' ' ' GLY . . . . . . . . . . . . . . . -92.56 -112.07 1.99 Allowed Glycine 0 N--CA 1.446 -0.67 0 C-N-CA 120.5 -0.857 . . . . 0.0 111.849 178.846 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 98' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -125.41 103.71 8.05 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 110.165 -0.309 . . . . 0.0 110.165 -179.738 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 99' ' ' VAL . . . . . 0.623 HG12 ' HB2' ' A' ' 93' ' ' SER . 14.3 m -82.73 141.68 14.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-O 121.095 0.474 . . . . 0.0 110.766 179.872 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 100' ' ' SER . . . . . . . . . . . . . 15.0 m -108.72 155.08 21.14 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.948 -178.702 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 46.7 m -83.9 31.6 0.48 Allowed 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 120.954 0.407 . . . . 0.0 110.971 -178.492 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 40.3 t -118.81 117.43 54.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.584 -0.28 . . . . 0.0 110.445 -177.816 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . 115.62 -14.68 17.51 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 121.011 -0.614 . . . . 0.0 112.388 176.674 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 104' ' ' VAL . . . . . 0.429 ' O ' HD23 ' B' ' 108' ' ' LEU . 17.8 t -60.16 -31.68 48.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.889 0.376 . . . . 0.0 110.036 -179.604 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -52.53 -42.98 64.84 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.761 179.554 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 23.3 t -77.56 -23.2 50.11 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.487 -179.084 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 14.2 m -71.96 -32.73 67.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.918 0.39 . . . . 0.0 110.461 -178.848 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 108' ' ' LEU . . . . . 0.759 HD12 ' HB3' ' A' ' 30' ' ' LEU . 4.5 mm? -59.8 -34.36 72.94 Favored 'General case' 0 C--O 1.224 -0.257 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.969 177.599 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 109' ' ' ASN . . . . . . . . . . . . . 18.6 m-80 -69.5 -20.01 63.72 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.603 -178.221 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 110' ' ' VAL . . . . . . . . . . . . . 25.0 t -90.9 -38.22 10.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.995 -177.756 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 111' ' ' VAL . . . . . 0.574 HG12 ' O ' ' B' ' 108' ' ' LEU . 10.6 p -60.94 -30.67 47.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 121.135 0.493 . . . . 0.0 110.617 -178.681 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 112' ' ' GLN . . . . . 0.435 ' HG3' ' O ' ' B' ' 108' ' ' LEU . 26.0 mt-30 -65.34 -30.04 70.84 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.699 -179.693 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 113' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -77.33 -31.69 54.72 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.134 -0.939 . . . . 0.0 111.076 -173.253 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 13.7 m -85.11 -36.77 20.92 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.715 -0.675 . . . . 0.0 112.263 -170.775 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 115' ' ' VAL . . . . . 0.411 HG12 ' O ' ' B' ' 111' ' ' VAL . 7.2 p -113.82 -21.27 5.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 N-CA-C 111.953 0.353 . . . . 0.0 111.953 -174.783 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 116' ' ' GLY . . . . . . . . . . . . . . . -63.08 -20.07 62.2 Favored Glycine 0 CA--C 1.518 0.265 0 C-N-CA 120.946 -0.645 . . . . 0.0 113.074 -175.809 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.3 3.33 40.13 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 111.622 0.23 . . . . 0.0 111.622 -178.712 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 118' ' ' TYR . . . . . 0.465 ' HB3' HD23 ' B' ' 76' ' ' LEU . 84.4 m-85 -112.52 -34.46 5.84 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.843 0.354 . . . . 0.0 110.45 177.782 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 119' ' ' VAL . . . . . . . . . . . . . 33.5 m -77.5 -4.82 6.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.072 179.5 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.743 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 178.178 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 11.7 m . . . . . 0 N--CA 1.447 -0.583 0 CA-C-O 120.675 0.274 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.459 ' CE1' ' HA ' ' A' ' 74' ' ' GLU . 0.1 OUTLIER -151.42 125.43 9.21 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 179.545 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -86.29 -22.14 26.95 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 112.328 0.492 . . . . 0.0 112.328 -176.104 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.462 ' HA2' HD22 ' A' ' 28' ' ' ASN . . . -63.94 -29.87 76.08 Favored Glycine 0 CA--C 1.506 -0.487 0 N-CA-C 111.87 -0.492 . . . . 0.0 111.87 -178.614 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.552 ' HB1' ' HB2' ' A' ' 78' ' ' GLN . . . -67.52 -10.96 56.57 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 114.939 -0.63 . . . . 0.0 110.411 176.226 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.518 HG22 ' CD1' ' A' ' 81' ' ' LEU . 3.1 t -103.09 -42.38 8.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.581 -179.65 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.462 HD22 ' HA2' ' A' ' 25' ' ' GLY . 45.8 m-80 -65.91 -33.13 75.13 Favored 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 120.55 -0.46 . . . . 0.0 110.972 -177.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 73.2 ttt180 -67.45 -8.59 34.54 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.358 -178.246 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.514 ' HB3' HD22 ' B' ' 108' ' ' LEU . 84.6 mt -68.78 -19.95 64.33 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.88 0.372 . . . . 0.0 111.208 179.788 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 65.6 p -83.12 5.7 21.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.274 0.559 . . . . 0.0 110.694 179.522 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 45.9 t -87.59 158.72 18.81 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.266 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.83 -26.63 68.84 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.59 177.67 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -53.05 -59.37 4.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.675 178.561 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.661 ' O ' HG23 ' A' ' 39' ' ' VAL . . . -60.23 -59.51 5.3 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.322 -0.854 . . . . 0.0 110.82 179.017 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -48.15 -38.11 17.22 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 111.921 0.341 . . . . 0.0 111.921 -175.422 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 22.7 t -72.31 -27.43 62.44 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 112.272 0.471 . . . . 0.0 112.272 -179.232 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 87.5 mtt-85 -96.65 -38.57 9.88 Favored 'General case' 0 CA--C 1.514 -0.414 0 CA-C-O 121.406 0.622 . . . . 0.0 110.373 -176.063 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.661 HG23 ' O ' ' A' ' 35' ' ' ALA . 32.9 t -63.98 -38.68 83.03 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.866 0 CA-C-N 114.986 -1.006 . . . . 0.0 110.35 179.128 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.474 ' O ' HG12 ' A' ' 43' ' ' ILE . 88.1 p -77.97 -11.67 59.92 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.273 0.558 . . . . 0.0 110.956 179.585 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 44.8 t -82.9 -23.19 33.67 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.283 0.564 . . . . 0.0 110.099 179.516 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 32.4 m-80 -111.63 -0.48 16.06 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.528 -172.435 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.474 HG12 ' O ' ' A' ' 40' ' ' SER . 3.4 pt -59.8 -42.23 88.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.927 0.394 . . . . 0.0 110.705 176.453 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.435 ' N ' HG13 ' A' ' 43' ' ' ILE . . . -75.78 -15.61 60.23 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.888 -176.857 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -79.69 -51.8 8.77 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.145 -179.098 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 46.2 mt -64.89 -36.82 78.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.149 179.138 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.73 ' HB1' HD13 ' B' ' 96' ' ' ILE . . . -65.17 -15.85 62.87 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.446 -179.757 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 28.6 m -112.81 -1.15 14.73 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.394 -177.54 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -126.85 -25.97 1.18 Allowed Glycine 0 CA--C 1.518 0.28 0 C-N-CA 120.524 -0.846 . . . . 0.0 112.929 -179.249 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 77.27 -76.41 1.66 Allowed Glycine 0 N--CA 1.448 -0.535 0 N-CA-C 111.377 -0.689 . . . . 0.0 111.377 179.312 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -126.02 -18.89 4.93 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-O 120.908 0.385 . . . . 0.0 110.61 178.583 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 33.0 t -75.79 -8.46 56.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.883 0.373 . . . . 0.0 110.718 -176.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -95.67 -16.15 22.22 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.753 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.49 HD11 HG11 ' B' ' 88' ' ' VAL . 65.2 mt -53.19 -58.88 10.67 Favored Pre-proline 0 CA--C 1.534 0.353 0 CA-C-N 116.116 -0.493 . . . . 0.0 112.045 -176.849 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.424 ' HD2' ' N ' ' A' ' 54' ' ' LEU . 24.7 Cg_endo -62.26 -20.9 71.6 Favored 'Trans proline' 0 C--N 1.352 0.723 0 C-N-CA 122.273 1.982 . . . . 0.0 112.344 -176.366 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 14.1 m -90.86 -37.37 13.63 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.93 -178.799 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 62.3 t -77.56 -38.98 26.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 121.051 0.453 . . . . 0.0 109.908 -176.549 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.493 HG12 HD22 ' A' ' 83' ' ' LEU . 79.7 mt -57.39 -39.24 67.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.661 -0.7 . . . . 0.0 109.603 173.775 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 42.4 t -66.76 -41.1 88.29 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.006 -179.099 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 93.0 m-20 -60.44 -44.77 95.47 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.075 179.777 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.463 HG21 ' HB2' ' A' ' 82' ' ' GLU . 56.9 mt -80.24 -46.03 22.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.59 -177.084 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.472 ' O ' HG23 ' A' ' 66' ' ' VAL . 62.0 t80 -53.83 -54.28 40.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.431 -177.144 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 10.2 t -62.54 -29.53 70.63 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.914 0.388 . . . . 0.0 110.127 -178.475 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -68.3 -41.78 84.79 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.942 -0.647 . . . . 0.0 111.781 179.151 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.657 HG12 HG11 ' A' ' 70' ' ' VAL . 43.6 t -70.98 -43.75 76.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 121.024 0.44 . . . . 0.0 110.622 178.769 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.472 HG23 ' O ' ' A' ' 62' ' ' TYR . 98.1 t -59.8 -34.32 55.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.905 -179.627 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.36 -17.05 63.35 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.869 179.233 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 33.0 t -76.2 -18.84 58.88 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.027 0.441 . . . . 0.0 110.558 179.742 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 96.84 37.09 4.8 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.661 -0.781 . . . . 0.0 111.873 -177.687 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.657 HG11 HG12 ' A' ' 65' ' ' VAL . 15.0 p -96.9 161.92 2.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 N-CA-C 109.77 -0.456 . . . . 0.0 109.77 178.77 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 41.9 t -65.08 144.18 57.42 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 174.094 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 10.6 t -60.66 -41.9 95.94 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.643 0.258 . . . . 0.0 111.339 -176.379 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -72.57 -33.27 66.65 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.06 0.457 . . . . 0.0 109.944 -176.884 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.459 ' HA ' ' CE1' ' A' ' 23' ' ' TYR . 35.8 tt0 -74.95 -33.47 61.93 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.178 179.274 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.471 ' HB2' HG13 ' A' ' 70' ' ' VAL . . . -62.01 -36.74 82.45 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.251 178.199 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.474 HD23 ' HB3' ' A' ' 118' ' ' TYR . 3.0 tm? -55.07 -45.07 75.32 Favored 'General case' 0 N--CA 1.463 0.188 0 O-C-N 123.316 0.385 . . . . 0.0 110.042 178.64 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.705 ' O ' ' HG ' ' A' ' 81' ' ' LEU . 40.2 mm -62.41 -56.91 14.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.866 -178.881 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . 0.552 ' HB2' ' HB1' ' A' ' 26' ' ' ALA . 49.1 tt0 -59.13 -49.4 78.0 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.699 0.285 . . . . 0.0 111.074 -178.627 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.11 -34.43 73.48 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.182 -177.224 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.6 ' O ' HD23 ' A' ' 84' ' ' LEU . 5.2 mt -70.76 -41.52 71.66 Favored 'General case' 0 N--CA 1.449 -0.499 0 C-N-CA 120.692 -0.403 . . . . 0.0 110.722 176.149 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.705 ' HG ' ' O ' ' A' ' 77' ' ' ILE . 20.0 mt -69.26 -33.34 73.1 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 120.998 0.428 . . . . 0.0 110.631 -177.437 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.463 ' HB2' HG21 ' A' ' 61' ' ' ILE . 41.9 mt-10 -67.24 -21.04 65.75 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.636 171.745 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.515 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 37.0 tp -84.47 -41.83 16.2 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.013 0.435 . . . . 0.0 110.43 175.478 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.681 HD21 HD21 ' B' ' 84' ' ' LEU . 4.1 mm? -65.05 -9.52 22.81 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.555 -0.748 . . . . 0.0 112.048 -177.544 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.9 p -100.82 -25.86 13.97 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 120.846 0.355 . . . . 0.0 110.99 179.591 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -73.21 -46.8 48.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.459 0.647 . . . . 0.0 110.577 -178.646 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.515 ' HG ' ' O ' ' A' ' 83' ' ' LEU . 1.1 pp -77.98 -14.33 59.56 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.348 -0.842 . . . . 0.0 112.877 -171.652 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.462 HG13 HD12 ' A' ' 87' ' ' LEU . 17.6 m -96.2 -21.63 5.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 C-N-CA 120.442 -0.503 . . . . 0.0 110.654 176.249 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 65.5 t60 -69.26 -33.96 74.03 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 176.715 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.477 ' HA ' HG11 ' B' ' 99' ' ' VAL . 23.2 m -64.96 -25.63 38.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.424 -176.346 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.704 ' HA ' ' HB3' ' A' ' 94' ' ' ALA . 3.9 mm? -63.88 -22.55 66.97 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.006 -179.286 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 25.9 t -57.21 -31.44 65.49 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.964 178.616 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 9.4 t -123.44 13.26 9.46 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-O 121.587 0.708 . . . . 0.0 109.842 -178.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.704 ' HB3' ' HA ' ' A' ' 91' ' ' LEU . . . -103.77 92.99 4.66 Favored 'General case' 0 N--CA 1.445 -0.708 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.131 178.846 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 21.4 t -72.61 91.48 1.44 Allowed 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.659 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.793 HD13 ' HB1' ' B' ' 47' ' ' ALA . 20.4 tt -73.82 142.79 14.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.429 -179.029 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -87.54 -98.69 0.88 Allowed Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.052 179.216 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 8.6 t30 -138.6 111.52 7.81 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.825 0.345 . . . . 0.0 110.249 177.675 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.634 HG13 HD11 ' A' ' 96' ' ' ILE . 7.4 m -85.91 148.64 4.6 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.019 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 43.7 t -109.55 146.64 34.32 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.868 -0.605 . . . . 0.0 109.83 -179.055 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 54.8 m -76.51 -6.8 53.39 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.22 0.534 . . . . 0.0 110.411 176.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 60.3 t -93.02 108.61 20.6 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.432 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.625 -178.402 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 130.72 -16.27 5.36 Favored Glycine 0 N--CA 1.453 -0.182 0 C-N-CA 120.853 -0.689 . . . . 0.0 112.998 176.507 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.403 HG22 ' CD2' ' B' ' 89' ' ' HIS . 21.6 t -58.36 -28.33 35.3 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.378 0 C-N-CA 122.139 0.176 . . . . 0.0 111.112 -178.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -49.65 -46.43 49.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.465 178.212 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 18.6 m -74.65 -36.37 62.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.66 -176.461 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 9.6 m -64.32 -27.12 68.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.615 0.722 . . . . 0.0 110.094 178.59 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.633 HD21 HG21 ' B' ' 39' ' ' VAL . 2.7 mt -71.7 -16.45 62.24 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.506 -0.77 . . . . 0.0 111.64 177.477 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . 0.534 HD22 ' N ' ' A' ' 109' ' ' ASN . 0.8 OUTLIER -82.54 -30.06 29.96 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 120.701 0.286 . . . . 0.0 110.763 -179.741 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 7.3 p -85.51 -29.68 6.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 120.793 0.33 . . . . 0.0 111.258 -177.846 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 14.4 p -62.77 -31.73 53.29 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.346 0 CA-C-O 121.203 0.525 . . . . 0.0 110.232 178.073 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . 0.498 ' HG3' ' O ' ' A' ' 108' ' ' LEU . 26.8 mt-30 -63.95 -32.57 74.15 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.945 -178.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -81.13 -19.9 42.54 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.575 -0.738 . . . . 0.0 110.429 -175.701 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . 0.401 ' OG ' ' HD3' ' A' ' 55' ' ' PRO . 15.0 m -83.43 -41.32 18.23 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.441 -175.264 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.692 HG11 HD22 ' B' ' 81' ' ' LEU . 12.3 p -112.64 -22.42 4.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.716 -173.454 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -57.84 -27.32 59.13 Favored Glycine 0 C--N 1.331 0.292 0 C-N-CA 121.458 -0.401 . . . . 0.0 113.366 -176.122 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.27 0.89 43.6 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 111.619 0.229 . . . . 0.0 111.619 -178.059 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . 0.474 ' HB3' HD23 ' A' ' 76' ' ' LEU . 92.9 m-85 -114.06 -32.22 6.11 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.181 0.515 . . . . 0.0 110.293 177.871 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.49 ' O ' ' HB3' ' B' ' 22' ' ' SER . 30.9 m . . . . . 0 C--N 1.326 -0.454 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.065 178.254 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 22' ' ' SER . . . . . 0.49 ' HB3' ' O ' ' A' ' 119' ' ' VAL . 7.1 m . . . . . 0 CA--C 1.514 -0.413 0 CA-C-O 120.603 0.239 . . . . 0.0 110.741 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 23' ' ' TYR . . . . . 0.451 ' OH ' ' HB3' ' B' ' 73' ' ' ASN . 0.3 OUTLIER -147.31 136.28 22.26 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.258 -177.835 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . 0.427 ' HA ' HG23 ' B' ' 27' ' ' VAL . . . -101.34 -13.37 18.05 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.927 -178.155 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -67.52 -31.48 76.64 Favored Glycine 0 CA--C 1.509 -0.291 0 C-N-CA 120.456 -0.878 . . . . 0.0 111.594 -178.341 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 26' ' ' ALA . . . . . 0.468 ' HB1' ' HB2' ' B' ' 78' ' ' GLN . . . -64.78 -20.59 66.46 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.349 0.595 . . . . 0.0 110.809 175.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 27' ' ' VAL . . . . . 0.444 HG22 ' CD1' ' B' ' 81' ' ' LEU . 2.3 t -91.18 -44.33 14.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.176 -178.471 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 59.3 m-20 -68.92 -15.26 63.44 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.348 -0.842 . . . . 0.0 111.491 -173.333 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 68.4 ttt180 -88.22 -6.02 58.05 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.828 -178.471 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . 0.607 HD11 ' HB3' ' B' ' 81' ' ' LEU . 87.0 mt -71.38 -25.73 62.49 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.233 -176.478 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 10.3 p -79.09 1.3 24.66 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.983 0.42 . . . . 0.0 111.113 179.463 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 55.6 m -89.12 152.66 21.51 Favored 'General case' 0 N--CA 1.442 -0.835 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.472 177.587 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.73 -21.02 65.5 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.239 -179.606 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -52.74 -58.4 6.99 Favored 'General case' 0 CA--C 1.52 -0.186 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.271 176.548 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 35' ' ' ALA . . . . . 0.666 ' O ' HG23 ' B' ' 39' ' ' VAL . . . -60.42 -55.96 27.24 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.562 179.086 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -47.54 -36.36 10.34 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 115.945 -0.571 . . . . 0.0 112.141 -176.175 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 23.1 t -68.08 -32.82 73.42 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.331 -0.395 . . . . 0.0 112.064 -178.546 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 38' ' ' ARG . . . . . 0.435 ' NH1' ' HA3' ' B' ' 64' ' ' GLY . 49.3 mtt-85 -96.99 -37.5 10.15 Favored 'General case' 0 CA--C 1.516 -0.336 0 CA-C-O 121.384 0.611 . . . . 0.0 110.572 -175.237 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 39' ' ' VAL . . . . . 0.666 HG23 ' O ' ' B' ' 35' ' ' ALA . 24.2 t -61.94 -39.2 82.75 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.868 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.181 178.736 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 91.2 p -78.15 -6.75 55.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.974 0.416 . . . . 0.0 111.07 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 48.5 t -90.3 -15.32 31.45 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.321 0.581 . . . . 0.0 110.177 179.786 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 42' ' ' ASN . . . . . 0.4 ' HB3' HG13 ' B' ' 57' ' ' VAL . 39.8 m-80 -117.65 -3.63 11.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.215 -175.094 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 43' ' ' ILE . . . . . 0.499 HG23 ' O ' ' B' ' 39' ' ' VAL . 6.4 pt -57.8 -43.62 84.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.971 0.415 . . . . 0.0 111.086 177.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 44' ' ' ALA . . . . . 0.497 ' N ' HG13 ' B' ' 43' ' ' ILE . . . -77.13 -12.04 59.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.84 -175.559 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -79.89 -51.82 8.64 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.839 -0.618 . . . . 0.0 109.76 178.341 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 46' ' ' ILE . . . . . 0.42 HG21 ' HB3' ' B' ' 87' ' ' LEU . 37.3 mt -66.98 -35.32 74.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.264 -179.635 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . 0.793 ' HB1' HD13 ' A' ' 96' ' ' ILE . . . -63.54 -19.92 65.19 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.445 178.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 44.1 m -104.68 -35.18 7.89 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.548 -176.795 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -95.86 -19.31 29.45 Favored Glycine 0 CA--C 1.519 0.313 0 C-N-CA 120.463 -0.875 . . . . 0.0 113.191 -177.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 73.39 -75.46 0.99 Allowed Glycine 0 C--O 1.225 -0.43 0 N-CA-C 111.721 -0.552 . . . . 0.0 111.721 179.635 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -124.58 -21.1 4.93 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.478 -0.361 . . . . 0.0 110.794 -179.292 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 15.3 t -75.3 -13.02 60.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.097 0.475 . . . . 0.0 110.223 -178.364 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -87.85 -19.4 27.46 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.606 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 54' ' ' LEU . . . . . 0.446 HD11 HG11 ' A' ' 88' ' ' VAL . 49.5 mt -52.98 -57.98 14.07 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.979 -176.481 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 55' ' ' PRO . . . . . 0.44 ' HD2' ' N ' ' B' ' 54' ' ' LEU . 20.5 Cg_endo -61.34 -25.12 79.82 Favored 'Trans proline' 0 C--N 1.352 0.74 0 C-N-CA 122.157 1.904 . . . . 0.0 112.453 -177.42 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 48.5 m -84.23 -39.59 19.12 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.788 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . 0.4 HG13 ' HB3' ' B' ' 42' ' ' ASN . 63.1 t -76.22 -39.08 34.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.094 -174.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 58' ' ' ILE . . . . . 0.495 HG12 HD22 ' B' ' 83' ' ' LEU . 62.2 mt -57.03 -43.64 81.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.031 174.766 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 32.6 t -67.43 -39.53 85.46 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.571 -177.774 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 81.9 m-20 -61.01 -43.81 98.33 Favored 'General case' 0 CA--C 1.519 -0.224 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.095 179.119 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . 0.458 ' O ' HG23 ' B' ' 65' ' ' VAL . 63.2 mt -79.54 -48.36 21.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 115.714 -0.676 . . . . 0.0 111.428 -178.315 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 62' ' ' TYR . . . . . 0.495 ' O ' HG23 ' B' ' 66' ' ' VAL . 45.7 t80 -55.22 -54.39 44.03 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.566 -0.288 . . . . 0.0 110.894 -176.05 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 19.6 m -60.94 -29.75 69.81 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.83 -179.232 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . 0.435 ' HA3' ' NH1' ' B' ' 38' ' ' ARG . . . -73.21 -44.42 35.23 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.947 -0.644 . . . . 0.0 111.799 178.413 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 65' ' ' VAL . . . . . 0.681 HG12 HG11 ' B' ' 70' ' ' VAL . 85.7 t -65.17 -42.56 94.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-O 120.874 0.369 . . . . 0.0 111.083 179.841 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 66' ' ' VAL . . . . . 0.495 HG23 ' O ' ' B' ' 62' ' ' TYR . 90.1 t -60.58 -46.3 95.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.746 179.661 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.91 -14.92 63.35 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.313 178.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 27.8 t -78.22 -15.5 58.74 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.848 -179.105 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 101.28 27.91 7.05 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.216 -0.992 . . . . 0.0 113.211 176.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . 0.681 HG11 HG12 ' B' ' 65' ' ' VAL . 11.6 p -80.31 166.36 2.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 N-CA-C 110.25 -0.278 . . . . 0.0 110.25 177.787 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 71' ' ' SER . . . . . 0.443 ' N ' HG22 ' B' ' 70' ' ' VAL . 47.2 t -69.38 151.32 46.29 Favored 'General case' 0 N--CA 1.454 -0.255 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 172.616 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 7.2 p -56.5 -64.02 1.0 Allowed 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.985 0.735 . . . . 0.0 112.985 -170.426 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 73' ' ' ASN . . . . . 0.451 ' HB3' ' OH ' ' B' ' 23' ' ' TYR . 3.2 t30 -76.72 -18.53 58.45 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 120.634 -0.426 . . . . 0.0 110.818 -176.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 74' ' ' GLU . . . . . 0.403 ' HB3' ' HB3' ' B' ' 71' ' ' SER . 38.6 tt0 -74.27 -23.41 59.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.143 0.497 . . . . 0.0 109.855 177.725 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.26 -39.9 88.44 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.538 176.036 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 76' ' ' LEU . . . . . 0.479 HD23 ' HB3' ' B' ' 118' ' ' TYR . 2.8 tm? -56.0 -48.3 76.16 Favored 'General case' 0 CA--C 1.516 -0.335 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.628 177.496 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 77' ' ' ILE . . . . . 0.624 ' O ' ' HG ' ' B' ' 81' ' ' LEU . 40.2 mm -64.27 -53.75 39.47 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-N 115.399 -0.819 . . . . 0.0 111.242 -177.547 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 78' ' ' GLN . . . . . 0.468 ' HB2' ' HB1' ' B' ' 26' ' ' ALA . 14.3 tt0 -58.4 -46.74 85.82 Favored 'General case' 0 N--CA 1.465 0.32 0 C-N-CA 121.176 -0.21 . . . . 0.0 111.024 179.533 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -59.82 -41.02 90.36 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.037 0.446 . . . . 0.0 110.451 -179.702 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 80' ' ' LEU . . . . . 0.611 ' O ' HD23 ' B' ' 84' ' ' LEU . 2.2 mm? -64.99 -45.65 84.71 Favored 'General case' 0 N--CA 1.446 -0.673 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.073 176.215 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . 0.692 HD22 HG11 ' A' ' 115' ' ' VAL . 14.0 mt -68.17 -36.72 80.06 Favored 'General case' 0 C--N 1.322 -0.591 0 O-C-N 122.238 -0.288 . . . . 0.0 111.613 -175.645 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -64.8 -27.2 68.72 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.091 0.472 . . . . 0.0 110.785 172.608 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 83' ' ' LEU . . . . . 0.55 ' O ' ' HG ' ' B' ' 87' ' ' LEU . 35.1 tp -76.97 -43.25 35.75 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.035 0.445 . . . . 0.0 110.56 174.586 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 84' ' ' LEU . . . . . 0.681 HD21 HD21 ' A' ' 84' ' ' LEU . 4.0 mm? -63.46 -11.66 25.32 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.518 -0.765 . . . . 0.0 112.053 -177.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 1.5 p -101.11 -27.59 13.16 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 120.645 0.259 . . . . 0.0 110.909 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -70.64 -46.73 62.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.293 0.568 . . . . 0.0 110.554 -178.752 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 87' ' ' LEU . . . . . 0.55 ' HG ' ' O ' ' B' ' 83' ' ' LEU . 1.1 pp -77.2 -17.13 58.75 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.485 -0.779 . . . . 0.0 112.822 -172.783 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 88' ' ' VAL . . . . . 0.49 HG11 HD11 ' A' ' 54' ' ' LEU . 18.7 m -93.02 -24.61 5.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 C-N-CA 120.3 -0.56 . . . . 0.0 110.812 176.702 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 89' ' ' HIS . . . . . 0.403 ' CD2' HG22 ' A' ' 104' ' ' VAL . 73.5 t60 -67.55 -32.74 73.72 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.106 178.006 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 90' ' ' VAL . . . . . 0.476 ' HA ' HG11 ' A' ' 99' ' ' VAL . 19.1 m -64.79 -27.86 43.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.201 -177.031 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 91' ' ' LEU . . . . . 0.63 ' HA ' ' HB3' ' B' ' 94' ' ' ALA . 3.7 mm? -62.48 -25.49 68.03 Favored 'General case' 0 CA--C 1.52 -0.199 0 CA-C-O 120.983 0.42 . . . . 0.0 110.641 178.508 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 48.8 m -60.87 -22.57 64.39 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.272 179.677 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 23.2 t -130.01 18.63 5.53 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-O 121.201 0.524 . . . . 0.0 110.037 177.146 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 94' ' ' ALA . . . . . 0.63 ' HB3' ' HA ' ' B' ' 91' ' ' LEU . . . -115.19 90.65 3.39 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.286 178.569 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 8.6 t -73.09 94.48 1.92 Allowed 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 179.174 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 96' ' ' ILE . . . . . 0.73 HD13 ' HB1' ' A' ' 47' ' ' ALA . 20.4 tt -69.01 146.72 12.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.679 -175.78 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 97' ' ' GLY . . . . . . . . . . . . . . . -89.95 -86.83 1.32 Allowed Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 121.08 -0.581 . . . . 0.0 112.8 -179.181 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 98' ' ' ASN . . . . . . . . . . . . . 9.3 t30 -150.47 111.68 4.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.733 0.267 . . . . 0.0 110.702 -176.429 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 99' ' ' VAL . . . . . 0.532 ' CG1' HD11 ' B' ' 96' ' ' ILE . 8.4 m -103.25 148.65 8.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 120.969 0.414 . . . . 0.0 111.465 -178.031 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 100' ' ' SER . . . . . . . . . . . . . 50.5 m -123.19 162.84 21.78 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.375 -178.725 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 101' ' ' SER . . . . . 0.453 ' CB ' ' HB2' ' A' ' 40' ' ' SER . 6.7 p -82.55 24.48 0.7 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.853 -176.831 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 43.3 t -109.29 114.32 46.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 120.769 0.318 . . . . 0.0 110.995 -174.285 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . 111.61 -8.2 28.1 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 121.085 -0.579 . . . . 0.0 112.543 175.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 104' ' ' VAL . . . . . . . . . . . . . 33.5 t -60.96 -34.01 58.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 178.683 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -50.07 -48.11 53.23 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.233 -0.894 . . . . 0.0 110.284 175.435 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 39.9 m -78.21 -32.85 50.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.49 -0.777 . . . . 0.0 111.506 -177.292 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 28.0 m -59.5 -36.4 75.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.379 0.609 . . . . 0.0 109.998 175.216 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 108' ' ' LEU . . . . . 0.613 ' O ' ' HG3' ' B' ' 112' ' ' GLN . 3.3 mt -62.52 -28.38 69.81 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.345 -0.843 . . . . 0.0 111.424 177.684 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 109' ' ' ASN . . . . . 0.484 ' N ' HD22 ' B' ' 109' ' ' ASN . 0.9 OUTLIER -68.63 -28.94 67.35 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.229 0.538 . . . . 0.0 110.215 178.818 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 110' ' ' VAL . . . . . . . . . . . . . 23.1 t -82.69 -37.34 14.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.888 -177.831 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 111' ' ' VAL . . . . . 0.545 HG12 ' O ' ' B' ' 108' ' ' LEU . 7.8 p -64.31 -31.83 55.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-O 121.128 0.489 . . . . 0.0 110.038 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 112' ' ' GLN . . . . . 0.613 ' HG3' ' O ' ' B' ' 108' ' ' LEU . 27.2 mt-30 -65.3 -32.79 74.63 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.381 178.568 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 113' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -73.35 -34.49 65.64 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.289 -0.869 . . . . 0.0 110.789 -178.136 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 15.3 m -76.84 -37.58 55.38 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.312 -0.858 . . . . 0.0 112.204 -170.126 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 115' ' ' VAL . . . . . 0.69 HG11 HD22 ' A' ' 81' ' ' LEU . 14.7 p -118.87 -19.89 5.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 C-N-CA 120.779 -0.369 . . . . 0.0 111.98 -173.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 116' ' ' GLY . . . . . . . . . . . . . . . -61.51 -17.48 53.58 Favored Glycine 0 C--O 1.228 -0.269 0 C-N-CA 121.218 -0.515 . . . . 0.0 113.027 -176.842 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.75 1.76 56.94 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.664 0.269 . . . . 0.0 111.236 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 118' ' ' TYR . . . . . 0.479 ' HB3' HD23 ' B' ' 76' ' ' LEU . 77.9 m-85 -112.99 -32.35 6.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.043 0.449 . . . . 0.0 110.163 177.522 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 119' ' ' VAL . . . . . . . . . . . . . 33.8 m -88.16 -2.47 8.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.35 178.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.215 0 CA-C-O 118.262 -1.299 . . . . 0.0 112.055 179.859 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.508 ' HB3' ' O ' ' B' ' 119' ' ' VAL . 26.7 m . . . . . 0 N--CA 1.444 -0.769 0 N-CA-C 109.941 -0.392 . . . . 0.0 109.941 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -149.54 129.22 13.2 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.262 -177.784 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -89.41 -14.0 36.44 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.071 -179.685 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.544 ' HA2' HD21 ' A' ' 28' ' ' ASN . . . -66.17 -32.37 82.04 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.814 -0.707 . . . . 0.0 112.236 -178.767 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.58 ' HB1' ' HB2' ' A' ' 78' ' ' GLN . . . -77.71 -3.29 40.4 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.0 0.429 . . . . 0.0 111.18 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.2 t -100.65 -51.87 9.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 C-N-CA 120.762 -0.375 . . . . 0.0 110.655 -176.151 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.544 HD21 ' HA2' ' A' ' 25' ' ' GLY . 7.6 p30 -68.11 -18.42 64.64 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.027 0.441 . . . . 0.0 110.774 -176.823 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 10.9 ttt85 -72.95 -14.65 61.5 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.053 178.287 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.782 HD11 ' HB3' ' A' ' 81' ' ' LEU . 92.3 mt -65.13 -27.15 68.54 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.804 -178.434 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 63.7 p -75.25 1.87 12.47 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.938 0.399 . . . . 0.0 111.232 -177.191 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 39.0 t -84.58 151.44 24.53 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 177.276 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.87 -19.79 53.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.289 -178.839 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.462 ' HB3' ' NH2' ' A' ' 38' ' ' ARG . 30.0 mt-10 -54.1 -56.63 16.21 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.558 -0.747 . . . . 0.0 110.885 178.141 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.451 ' O ' HG23 ' A' ' 39' ' ' VAL . . . -59.9 -48.13 82.95 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.552 179.009 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.07 -7.02 7.43 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.047 -0.524 . . . . 0.0 112.165 -176.844 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 49.6 m -99.94 -22.64 15.2 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.647 0.261 . . . . 0.0 111.506 176.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.462 ' NH2' ' HB3' ' A' ' 34' ' ' GLU . 49.6 mtt180 -94.8 -53.13 3.97 Favored 'General case' 0 CA--C 1.512 -0.489 0 N-CA-C 108.979 -0.749 . . . . 0.0 108.979 -179.404 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.513 ' O ' HG23 ' A' ' 43' ' ' ILE . 52.0 t -54.85 -36.8 38.76 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 114.04 -1.437 . . . . 0.0 111.273 -179.106 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.405 ' O ' HG12 ' A' ' 43' ' ' ILE . 48.7 p -74.09 -10.92 60.11 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.778 -177.673 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 22.7 t -97.22 -10.71 25.29 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.747 0.784 . . . . 0.0 109.066 177.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 14.0 m120 -99.24 -25.17 14.59 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.038 -0.983 . . . . 0.0 109.746 -175.289 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.587 HG13 ' N ' ' A' ' 44' ' ' ALA . 7.1 pt -54.97 -41.75 60.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.138 -0.937 . . . . 0.0 111.363 179.403 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.587 ' N ' HG13 ' A' ' 43' ' ' ILE . . . -81.63 -5.14 57.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.148 0.499 . . . . 0.0 111.121 -175.422 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -95.68 -51.91 4.32 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.102 178.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.424 HG21 ' HB3' ' A' ' 87' ' ' LEU . 53.3 mt -66.37 -34.78 72.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.649 -179.114 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.692 ' HB1' HD13 ' B' ' 96' ' ' ILE . . . -63.26 -20.29 65.33 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.293 179.439 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 14.0 t -95.85 -39.88 9.6 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.154 -176.317 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -100.26 -20.26 16.25 Favored Glycine 0 CA--C 1.519 0.32 0 C-N-CA 120.627 -0.797 . . . . 0.0 113.55 -174.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 75.7 -79.66 1.1 Allowed Glycine 0 N--CA 1.447 -0.596 0 N-CA-C 111.399 -0.68 . . . . 0.0 111.399 -179.054 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -117.97 -19.67 9.06 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-O 121.058 0.456 . . . . 0.0 110.386 178.679 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 16.0 m -71.06 -14.99 62.51 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.458 -179.024 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -92.27 -13.68 30.03 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.835 -179.191 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.449 ' N ' ' HD2' ' A' ' 55' ' ' PRO . 45.5 mt -56.2 -57.91 19.71 Favored Pre-proline 0 C--N 1.326 -0.416 0 CA-C-N 116.089 -0.505 . . . . 0.0 112.069 -176.419 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.449 ' HD2' ' N ' ' A' ' 54' ' ' LEU . 18.2 Cg_endo -60.26 -26.59 82.98 Favored 'Trans proline' 0 C--N 1.351 0.672 0 C-N-CA 121.967 1.778 . . . . 0.0 112.191 -176.682 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 9.0 m -82.6 -41.09 19.95 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.03 -178.623 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 75.6 t -80.04 -38.06 18.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.731 -172.57 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.549 HG12 HD22 ' A' ' 83' ' ' LEU . 66.0 mt -57.25 -43.14 81.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.323 176.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 6.1 t -67.49 -36.84 81.88 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.035 -177.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 90.7 m-20 -61.25 -54.26 46.32 Favored 'General case' 0 CA--C 1.518 -0.252 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.982 178.234 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.465 ' O ' HG23 ' A' ' 65' ' ' VAL . 38.9 mt -66.76 -43.62 89.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.191 -177.522 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.479 ' O ' HG23 ' A' ' 66' ' ' VAL . 46.6 t80 -57.18 -55.56 33.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.891 -176.723 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 23.2 m -59.14 -34.01 71.56 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.647 179.405 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -65.71 -42.02 95.52 Favored Glycine 0 N--CA 1.453 -0.221 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.909 178.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.672 HG12 HG11 ' A' ' 70' ' ' VAL . 79.3 t -73.03 -42.4 59.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-O 120.566 0.222 . . . . 0.0 111.191 -179.395 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.479 HG23 ' O ' ' A' ' 62' ' ' TYR . 85.1 t -59.77 -39.2 79.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 121.065 0.46 . . . . 0.0 110.854 -179.876 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -74.13 -2.12 23.2 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.537 179.444 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 14.5 t -94.16 -6.06 45.7 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.607 -179.575 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 92.92 26.62 16.09 Favored Glycine 0 CA--C 1.521 0.408 0 C-N-CA 120.601 -0.809 . . . . 0.0 112.943 176.737 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.672 HG11 HG12 ' A' ' 65' ' ' VAL . 9.9 p -80.82 160.77 3.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 N-CA-C 110.307 -0.257 . . . . 0.0 110.307 178.561 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 42.0 t -64.59 145.11 56.65 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 172.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 16.4 p -53.62 -63.13 1.25 Allowed 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 112.599 0.592 . . . . 0.0 112.599 -171.703 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -69.96 -24.92 63.42 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.945 0.402 . . . . 0.0 110.626 -176.186 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -73.77 -23.78 59.77 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.04 0.448 . . . . 0.0 110.526 -179.226 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.65 -36.05 75.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.85 -0.613 . . . . 0.0 111.021 178.142 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.451 HD23 ' HB3' ' A' ' 118' ' ' TYR . 2.3 tm? -59.44 -47.18 86.47 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 178.071 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.721 ' O ' ' HG ' ' A' ' 81' ' ' LEU . 41.1 mm -63.7 -56.37 17.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.787 -179.263 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . 0.58 ' HB2' ' HB1' ' A' ' 26' ' ' ALA . 30.5 tp60 -53.8 -48.38 69.9 Favored 'General case' 0 N--CA 1.466 0.337 0 O-C-N 123.166 0.291 . . . . 0.0 111.032 179.294 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.47 -39.86 94.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.127 -179.011 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.552 ' O ' HD23 ' A' ' 84' ' ' LEU . 6.6 mt -69.18 -41.44 77.17 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.936 178.092 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.782 ' HB3' HD11 ' A' ' 30' ' ' LEU . 84.4 mt -60.98 -40.23 92.64 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.055 0.455 . . . . 0.0 110.438 179.234 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.461 ' OE1' ' HD2' ' A' ' 38' ' ' ARG . 44.3 mt-10 -67.85 -35.35 78.41 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.611 174.554 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.549 HD22 HG12 ' A' ' 58' ' ' ILE . 54.0 tp -67.73 -44.39 77.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.022 0.439 . . . . 0.0 110.764 178.66 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.697 HD21 HD21 ' B' ' 84' ' ' LEU . 4.2 mm? -63.15 -11.71 22.43 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.419 -179.005 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.417 ' OG ' HD13 ' B' ' 108' ' ' LEU . 41.4 m -94.13 -31.7 14.06 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.843 0.354 . . . . 0.0 110.912 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.434 ' HB2' HG13 ' A' ' 39' ' ' VAL . . . -70.29 -43.15 70.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.232 0.539 . . . . 0.0 110.724 -176.702 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.463 HD12 HG13 ' A' ' 88' ' ' VAL . 1.2 pp -81.59 -15.82 53.53 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.56 -0.745 . . . . 0.0 112.889 -172.439 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.463 HG13 HD12 ' A' ' 87' ' ' LEU . 18.1 m -94.56 -23.88 5.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 C-N-CA 120.478 -0.489 . . . . 0.0 110.636 175.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 73.7 t60 -65.44 -35.43 80.91 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.792 177.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 26.9 m -65.88 -27.9 42.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.697 -175.611 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.62 ' HA ' ' HB3' ' A' ' 94' ' ' ALA . 3.4 mm? -64.56 -23.05 67.14 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.214 -178.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 44.3 t -59.31 -30.43 68.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.002 0.429 . . . . 0.0 110.944 -179.82 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 9.5 t -121.42 9.9 10.41 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.458 0.647 . . . . 0.0 109.992 -178.509 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.62 ' HB3' ' HA ' ' A' ' 91' ' ' LEU . . . -104.94 93.04 4.5 Favored 'General case' 0 N--CA 1.447 -0.615 0 CA-C-N 115.833 -0.622 . . . . 0.0 110.377 -179.703 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 10.7 t -73.18 88.71 1.49 Allowed 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 178.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.639 HD13 ' HB1' ' B' ' 47' ' ' ALA . 19.6 tt -66.89 144.83 14.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 115.465 -0.789 . . . . 0.0 111.668 -177.829 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -88.22 -110.93 1.07 Allowed Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.072 178.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -125.46 111.81 15.53 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.931 0.396 . . . . 0.0 110.851 -179.747 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.51 HG11 ' HA ' ' B' ' 90' ' ' VAL . 4.2 m -94.29 136.35 25.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.996 179.502 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 20.7 m -91.47 147.63 22.89 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 115.901 -0.59 . . . . 0.0 109.878 179.108 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 13.5 m -86.52 7.62 25.33 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.227 0.537 . . . . 0.0 110.563 -179.411 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 5.8 p -109.82 123.5 65.76 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.659 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.91 -178.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 116.02 -11.56 17.57 Favored Glycine 0 N--CA 1.448 -0.512 0 CA-C-N 115.635 -0.711 . . . . 0.0 112.158 179.414 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 61.7 t -58.51 -32.24 45.29 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-O 120.666 0.27 . . . . 0.0 110.658 178.729 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -46.69 -42.03 15.89 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.261 178.114 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 46.8 m -73.54 -25.65 60.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.736 -0.666 . . . . 0.0 111.546 -177.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 14.3 m -72.53 -28.72 63.03 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.408 0.623 . . . . 0.0 109.766 179.001 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.506 HD11 HG21 ' B' ' 39' ' ' VAL . 4.3 mm? -65.1 -24.75 67.53 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.567 175.05 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . 0.446 HD22 ' N ' ' A' ' 109' ' ' ASN . 0.9 OUTLIER -74.17 -36.9 64.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.007 -179.003 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 10.7 p -83.55 -27.13 7.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.768 0.318 . . . . 0.0 111.639 -174.289 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.439 HG12 ' O ' ' A' ' 108' ' ' LEU . 8.8 p -67.27 -28.46 42.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 121.379 0.609 . . . . 0.0 110.238 178.859 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . 0.524 ' HG2' HG12 ' B' ' 27' ' ' VAL . 24.7 mt-30 -70.89 -20.59 62.49 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.843 179.5 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -83.32 -34.0 25.78 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.622 -173.474 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . 0.417 ' HB2' HD12 ' A' ' 58' ' ' ILE . 14.3 p -84.11 -46.89 11.47 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.277 -0.874 . . . . 0.0 112.034 -171.449 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.509 HG11 HD22 ' B' ' 81' ' ' LEU . 13.8 p -106.09 -14.11 9.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-O 121.121 0.486 . . . . 0.0 111.179 -174.785 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -63.86 -16.69 59.7 Favored Glycine 0 N--CA 1.452 -0.295 0 CA-C-N 115.885 -0.598 . . . . 0.0 112.726 -178.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -96.75 9.29 42.16 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.824 0.345 . . . . 0.0 110.837 178.726 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . 0.451 ' HB3' HD23 ' A' ' 76' ' ' LEU . 61.3 m-85 -119.98 -31.09 4.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.964 0.412 . . . . 0.0 110.24 176.877 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.443 HG21 HG21 ' B' ' 27' ' ' VAL . 30.9 m . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.132 176.096 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 8.3 m . . . . . 0 N--CA 1.444 -0.764 0 CA-C-O 120.629 0.252 . . . . 0.0 110.532 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 23' ' ' TYR . . . . . 0.421 ' CE1' ' HA ' ' B' ' 74' ' ' GLU . 0.3 OUTLIER -148.57 117.45 6.71 Favored 'General case' 0 N--CA 1.446 -0.644 0 CA-C-N 116.123 -0.49 . . . . 0.0 109.693 -178.038 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -87.16 -15.34 38.65 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.574 -177.551 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -70.54 -18.8 75.83 Favored Glycine 0 CA--C 1.506 -0.486 0 C-N-CA 120.818 -0.706 . . . . 0.0 111.999 179.05 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 26' ' ' ALA . . . . . 0.748 ' HB1' ' HB2' ' B' ' 78' ' ' GLN . . . -88.33 6.37 37.48 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-O 121.294 0.569 . . . . 0.0 110.144 177.165 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 27' ' ' VAL . . . . . 0.531 HG13 HD13 ' B' ' 81' ' ' LEU . 2.6 t -114.95 -50.68 4.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.398 -179.522 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 11.3 p30 -72.08 -1.21 13.96 Favored 'General case' 0 N--CA 1.465 0.283 0 N-CA-C 112.25 0.463 . . . . 0.0 112.25 -175.271 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -104.33 8.55 35.95 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.517 -0.473 . . . . 0.0 110.2 174.689 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . 0.542 HD11 ' HB3' ' B' ' 81' ' ' LEU . 75.7 mt -72.13 -32.35 66.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.589 176.663 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 14.1 p -73.82 3.46 6.58 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.936 179.214 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 35.8 t -85.69 157.78 20.22 Favored 'General case' 0 N--CA 1.45 -0.464 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 175.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -58.97 -22.88 61.09 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.256 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -50.98 -55.68 16.13 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.131 -179.744 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 35' ' ' ALA . . . . . 0.43 ' O ' HG23 ' B' ' 39' ' ' VAL . . . -69.81 -49.16 55.4 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.247 -179.072 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.36 -13.51 13.53 Favored 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 112.248 0.462 . . . . 0.0 112.248 -177.632 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 50.8 m -89.98 -20.31 23.43 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.635 0.255 . . . . 0.0 111.454 175.731 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 61.0 mtm-85 -101.91 -51.95 3.29 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 -177.601 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 39' ' ' VAL . . . . . 0.506 HG21 HD11 ' A' ' 108' ' ' LEU . 59.2 t -53.1 -42.8 46.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 114.784 -1.098 . . . . 0.0 111.629 -178.866 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 4.5 m -72.27 -6.98 46.86 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.846 -176.618 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 21.4 t -99.3 -7.16 26.74 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.735 0.779 . . . . 0.0 109.183 176.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -100.14 -24.78 14.49 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.318 -0.856 . . . . 0.0 109.765 -176.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 43' ' ' ILE . . . . . 0.593 HG13 ' N ' ' B' ' 44' ' ' ALA . 6.2 pt -55.73 -40.51 61.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 114.898 -1.046 . . . . 0.0 111.76 -177.881 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 44' ' ' ALA . . . . . 0.593 ' N ' HG13 ' B' ' 43' ' ' ILE . . . -81.47 -11.0 59.37 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.193 0.521 . . . . 0.0 110.912 -176.069 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -89.86 -49.57 6.54 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.097 -178.603 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 56.2 mt -67.26 -36.11 75.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.556 -179.736 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . 0.639 ' HB1' HD13 ' A' ' 96' ' ' ILE . . . -64.84 -15.05 61.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.496 -178.678 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 25.4 t -108.98 -5.8 15.94 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.174 -177.356 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -126.78 -31.08 0.78 Allowed Glycine 0 CA--C 1.518 0.276 0 C-N-CA 120.274 -0.965 . . . . 0.0 113.444 -176.283 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 80.72 -78.27 1.9 Allowed Glycine 0 N--CA 1.446 -0.677 0 N-CA-C 111.307 -0.717 . . . . 0.0 111.307 -179.343 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -121.24 -19.09 7.19 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-O 121.245 0.545 . . . . 0.0 110.455 179.543 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 4.6 m -70.79 -18.86 62.74 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.87 -176.62 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -90.64 -16.15 29.16 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.971 -176.493 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 54' ' ' LEU . . . . . 0.45 HD11 HG11 ' A' ' 88' ' ' VAL . 55.5 mt -53.75 -58.09 14.68 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.984 -175.052 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 55' ' ' PRO . . . . . 0.432 ' HD2' ' N ' ' B' ' 54' ' ' LEU . 18.7 Cg_endo -60.59 -25.96 81.87 Favored 'Trans proline' 0 C--N 1.351 0.703 0 C-N-CA 122.095 1.863 . . . . 0.0 112.439 -176.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 18.6 m -87.1 -34.07 19.25 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.145 0.498 . . . . 0.0 111.107 -177.537 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 73.1 t -82.18 -41.08 17.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.43 -175.701 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 58' ' ' ILE . . . . . 0.537 HG12 HD22 ' B' ' 83' ' ' LEU . 85.4 mt -55.91 -40.5 62.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-O 121.1 0.476 . . . . 0.0 110.303 175.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 8.0 t -64.54 -43.15 94.89 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.245 -178.44 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -63.88 -47.6 80.02 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.596 -0.729 . . . . 0.0 111.482 -179.501 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 44.9 mt -67.27 -47.05 82.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.108 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 62' ' ' TYR . . . . . 0.496 ' O ' HG23 ' B' ' 66' ' ' VAL . 44.5 t80 -55.66 -52.28 64.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.567 -177.522 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 22.6 t -60.17 -33.9 72.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.017 0.437 . . . . 0.0 110.335 179.144 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -67.78 -38.81 89.88 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.971 -0.633 . . . . 0.0 112.14 179.732 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 65' ' ' VAL . . . . . 0.672 HG12 HG11 ' B' ' 70' ' ' VAL . 69.2 t -73.72 -41.67 54.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-O 120.958 0.409 . . . . 0.0 111.001 178.63 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 66' ' ' VAL . . . . . 0.496 HG23 ' O ' ' B' ' 62' ' ' TYR . 93.4 t -61.8 -35.79 69.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.99 -178.893 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.28 -12.18 59.44 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.727 177.197 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 68' ' ' SER . . . . . 0.456 ' HB3' ' O ' ' B' ' 65' ' ' VAL . 43.8 t -83.62 -8.98 59.19 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.856 -179.783 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 88.67 30.45 15.46 Favored Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.582 -0.818 . . . . 0.0 112.338 179.272 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . 0.672 HG11 HG12 ' B' ' 65' ' ' VAL . 13.3 p -82.1 161.5 3.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 N-CA-C 109.998 -0.371 . . . . 0.0 109.998 179.099 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 36.4 t -68.29 154.16 42.31 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 175.611 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 5.7 p -57.11 -63.57 1.17 Allowed 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.421 0.526 . . . . 0.0 112.421 -172.855 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -72.13 -21.93 61.4 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.082 0.468 . . . . 0.0 110.514 -176.739 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 74' ' ' GLU . . . . . 0.421 ' HA ' ' CE1' ' B' ' 23' ' ' TYR . 42.5 tt0 -72.0 -30.19 64.98 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.378 178.878 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.97 -33.59 72.14 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.135 178.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 76' ' ' LEU . . . . . 0.441 HD23 ' HB3' ' B' ' 118' ' ' TYR . 2.0 tm? -58.06 -52.57 64.99 Favored 'General case' 0 C--N 1.332 -0.154 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 179.062 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 77' ' ' ILE . . . . . 0.699 ' O ' ' HG ' ' B' ' 81' ' ' LEU . 37.8 mm -60.94 -55.06 27.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.432 -0.803 . . . . 0.0 110.734 -178.833 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 78' ' ' GLN . . . . . 0.748 ' HB2' ' HB1' ' B' ' 26' ' ' ALA . 37.2 tp60 -54.06 -48.16 70.87 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.447 -179.357 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.05 -38.88 89.45 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.184 -178.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 80' ' ' LEU . . . . . 0.566 ' O ' HD23 ' B' ' 84' ' ' LEU . 5.3 mt -68.87 -42.83 76.49 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.908 -0.317 . . . . 0.0 111.198 179.843 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . 0.699 ' HG ' ' O ' ' B' ' 77' ' ' ILE . 59.5 mt -60.87 -35.03 75.54 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.13 0.49 . . . . 0.0 110.487 -179.619 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -66.96 -41.37 87.02 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.83 173.443 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 83' ' ' LEU . . . . . 0.537 HD22 HG12 ' B' ' 58' ' ' ILE . 49.2 tp -64.35 -42.03 96.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.0 0.429 . . . . 0.0 110.463 178.368 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 84' ' ' LEU . . . . . 0.697 HD21 HD21 ' A' ' 84' ' ' LEU . 4.3 mm? -63.01 -12.4 25.7 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.46 -179.781 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 85' ' ' SER . . . . . 0.407 ' OG ' HD13 ' A' ' 108' ' ' LEU . 39.2 m -95.15 -34.66 12.18 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.802 0.334 . . . . 0.0 110.678 179.595 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 86' ' ' ALA . . . . . 0.442 ' HB2' HG13 ' B' ' 39' ' ' VAL . . . -66.5 -43.55 85.0 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.239 0.542 . . . . 0.0 110.856 -176.264 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 87' ' ' LEU . . . . . 0.537 ' HG ' ' O ' ' B' ' 83' ' ' LEU . 1.2 pp -82.34 -17.45 45.65 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.553 -0.749 . . . . 0.0 112.838 -172.108 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 88' ' ' VAL . . . . . 0.455 HG13 HD12 ' B' ' 87' ' ' LEU . 16.9 m -91.58 -27.35 4.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 C-N-CA 120.213 -0.595 . . . . 0.0 110.874 177.218 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 89' ' ' HIS . . . . . . . . . . . . . 61.9 t60 -64.71 -37.69 88.45 Favored 'General case' 0 N--CA 1.455 -0.215 0 CA-C-O 120.855 0.36 . . . . 0.0 110.032 178.174 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 90' ' ' VAL . . . . . 0.51 ' HA ' HG11 ' A' ' 99' ' ' VAL . 31.7 m -65.2 -26.19 39.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.418 -175.844 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 91' ' ' LEU . . . . . 0.625 ' HA ' ' HB3' ' B' ' 94' ' ' ALA . 3.4 mm? -65.6 -21.52 66.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.194 -179.616 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 22.3 t -64.86 -25.99 68.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.967 0.413 . . . . 0.0 110.529 -179.658 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 93' ' ' SER . . . . . 0.46 ' HB3' HG12 ' A' ' 99' ' ' VAL . 22.6 t -120.86 13.4 11.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.376 0.608 . . . . 0.0 110.05 178.576 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 94' ' ' ALA . . . . . 0.625 ' HB3' ' HA ' ' B' ' 91' ' ' LEU . . . -110.28 92.64 4.13 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.243 178.752 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 21.5 t -75.93 91.46 3.03 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.41 179.244 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 96' ' ' ILE . . . . . 0.692 HD13 ' HB1' ' A' ' 47' ' ' ALA . 20.5 tt -63.98 146.18 13.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.254 -0.885 . . . . 0.0 111.64 -177.258 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 97' ' ' GLY . . . . . . . . . . . . . . . -92.07 -110.4 1.78 Allowed Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 120.925 -0.655 . . . . 0.0 112.296 179.317 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 98' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -115.2 108.55 16.75 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.689 0.28 . . . . 0.0 111.035 -178.408 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 99' ' ' VAL . . . . . 0.521 ' CG1' HD11 ' B' ' 96' ' ' ILE . 2.7 m -104.03 128.62 57.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 120.908 0.385 . . . . 0.0 110.631 174.485 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 100' ' ' SER . . . . . . . . . . . . . 70.9 m -105.99 147.6 28.66 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.523 -179.779 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 101' ' ' SER . . . . . 0.4 ' HB3' ' HB2' ' A' ' 40' ' ' SER . 36.9 m -76.6 56.5 1.14 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.11 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 9.1 p -146.17 135.97 17.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 116.074 -0.512 . . . . 0.0 109.919 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . 92.46 -1.34 72.37 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 121.05 -0.595 . . . . 0.0 112.128 179.048 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 104' ' ' VAL . . . . . . . . . . . . . 29.1 t -63.46 -31.8 54.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.576 0.227 . . . . 0.0 110.566 179.527 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -49.44 -45.22 46.26 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.332 -179.117 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 54.1 m -70.21 -23.73 62.99 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.606 -178.342 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 13.2 m -72.49 -32.0 65.82 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.201 0.524 . . . . 0.0 109.616 177.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 108' ' ' LEU . . . . . 0.534 ' O ' ' HG3' ' B' ' 112' ' ' GLN . 4.3 mm? -63.87 -27.67 69.32 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.512 175.637 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 109' ' ' ASN . . . . . 0.456 ' N ' HD22 ' B' ' 109' ' ' ASN . 0.9 OUTLIER -72.09 -39.32 69.02 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.321 -178.036 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 110' ' ' VAL . . . . . . . . . . . . . 11.7 p -80.66 -31.57 12.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 C-N-CA 120.901 -0.32 . . . . 0.0 111.373 -174.094 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 111' ' ' VAL . . . . . 0.504 HG12 ' O ' ' B' ' 108' ' ' LEU . 8.5 p -62.47 -31.24 51.21 Favored 'Isoleucine or valine' 0 C--O 1.235 0.293 0 CA-C-O 121.239 0.542 . . . . 0.0 110.258 -179.783 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 112' ' ' GLN . . . . . 0.534 ' HG3' ' O ' ' B' ' 108' ' ' LEU . 27.8 mt-30 -62.8 -30.59 71.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.434 -0.803 . . . . 0.0 111.142 -178.884 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 113' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -80.96 -32.75 34.31 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.383 -175.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 9.0 m -75.16 -40.15 59.8 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.192 -0.913 . . . . 0.0 112.125 -172.594 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 115' ' ' VAL . . . . . . . . . . . . . 8.1 p -116.01 -17.87 7.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-O 121.013 0.435 . . . . 0.0 111.592 -174.66 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 116' ' ' GLY . . . . . . . . . . . . . . . -60.91 -24.73 63.07 Favored Glycine 0 C--O 1.228 -0.253 0 C-N-CA 121.182 -0.533 . . . . 0.0 113.277 -177.635 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.84 9.12 28.7 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.816 0.341 . . . . 0.0 111.057 -179.493 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 118' ' ' TYR . . . . . 0.441 ' HB3' HD23 ' B' ' 76' ' ' LEU . 96.9 m-85 -117.31 -27.08 6.52 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.116 0.484 . . . . 0.0 109.93 177.779 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 119' ' ' VAL . . . . . 0.508 ' O ' ' HB3' ' A' ' 22' ' ' SER . 34.6 m -87.05 1.25 6.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.026 172.685 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.019 0 CA-C-N 115.086 -0.961 . . . . 0.0 110.953 177.25 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.415 ' HB3' ' O ' ' B' ' 119' ' ' VAL . 25.1 m . . . . . 0 N--CA 1.449 -0.492 0 CA-C-O 120.629 0.252 . . . . 0.0 111.426 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.427 ' OH ' ' HB3' ' A' ' 73' ' ' ASN . 0.3 OUTLIER -152.03 122.19 7.17 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 174.943 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -76.27 -22.64 54.85 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-O 121.274 0.559 . . . . 0.0 110.649 176.472 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.413 ' HA2' HD22 ' A' ' 28' ' ' ASN . . . -67.3 -27.45 73.51 Favored Glycine 0 N--CA 1.449 -0.453 0 CA-C-N 115.893 -0.594 . . . . 0.0 112.176 -178.655 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -74.88 -0.17 17.62 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.333 0.587 . . . . 0.0 109.991 177.427 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.516 HG22 ' CD1' ' A' ' 81' ' ' LEU . 3.2 t -109.31 -45.32 6.59 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.645 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.439 178.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.413 HD22 ' HA2' ' A' ' 25' ' ' GLY . 42.3 m-80 -64.05 -34.29 77.69 Favored 'General case' 0 N--CA 1.465 0.285 0 C-N-CA 120.718 -0.393 . . . . 0.0 110.609 -178.835 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 30.1 ttp180 -63.22 -12.22 26.97 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.74 -179.277 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.662 ' HB3' HD12 ' B' ' 108' ' ' LEU . 85.3 mt -69.64 -26.02 64.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.429 -179.768 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 62.0 p -75.92 -7.02 53.58 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.144 0.497 . . . . 0.0 111.143 -176.567 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 39.1 t -81.88 166.89 19.53 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.017 179.223 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.27 -14.44 49.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.185 179.124 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -55.92 -63.08 1.29 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.869 178.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.453 ' O ' HG23 ' A' ' 39' ' ' VAL . . . -61.28 -51.69 67.84 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.615 -0.721 . . . . 0.0 111.46 -177.757 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.59 -13.32 20.89 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.949 0.404 . . . . 0.0 111.861 -177.289 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 34.3 t -89.8 -19.95 24.08 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.464 -0.334 . . . . 0.0 111.559 175.572 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.591 ' HD2' ' OE1' ' A' ' 82' ' ' GLU . 55.3 mtt180 -104.21 -54.14 2.6 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.551 -0.536 . . . . 0.0 109.551 -177.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.482 HG21 HD11 ' B' ' 108' ' ' LEU . 61.9 t -51.23 -43.51 28.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 114.834 -1.075 . . . . 0.0 111.704 -178.732 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.426 ' HB3' ' HB3' ' B' ' 101' ' ' SER . 2.8 m -72.53 -8.04 53.1 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.58 -175.841 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 28.4 t -95.0 -12.97 25.71 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.884 0.85 . . . . 0.0 109.17 174.807 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . 0.463 ' HB3' HG11 ' A' ' 57' ' ' VAL . 12.2 m120 -98.96 -26.55 14.22 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.033 -0.985 . . . . 0.0 110.162 -174.31 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.602 HG13 ' N ' ' A' ' 44' ' ' ALA . 8.9 pt -55.38 -41.58 62.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.309 -0.859 . . . . 0.0 111.285 179.272 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.602 ' N ' HG13 ' A' ' 43' ' ' ILE . . . -80.43 -3.18 48.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.058 0.456 . . . . 0.0 110.841 -176.384 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -100.95 -52.43 3.29 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.394 178.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.467 ' HA ' ' CB ' ' A' ' 53' ' ' ALA . 45.1 mt -64.47 -34.09 67.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.712 -178.797 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.562 ' HB1' HD13 ' B' ' 96' ' ' ILE . . . -63.78 -17.91 63.54 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.733 -179.345 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 32.7 t -98.88 -29.08 13.15 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.192 -176.562 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -105.78 -27.6 5.66 Favored Glycine 0 CA--C 1.518 0.241 0 C-N-CA 120.4 -0.905 . . . . 0.0 113.155 -176.768 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 75.02 -78.84 1.04 Allowed Glycine 0 N--CA 1.447 -0.622 0 N-CA-C 111.315 -0.714 . . . . 0.0 111.315 -177.7 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -110.59 -29.19 8.14 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-O 121.358 0.599 . . . . 0.0 110.226 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 13.9 m -72.21 -11.71 60.85 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.788 -177.6 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.467 ' CB ' ' HA ' ' A' ' 46' ' ' ILE . . . -94.47 -13.72 25.89 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.776 -178.761 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.423 ' HB2' ' HD3' ' A' ' 55' ' ' PRO . 49.7 mt -55.64 -57.82 19.04 Favored Pre-proline 0 CA--C 1.534 0.36 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.696 -178.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.423 ' HD3' ' HB2' ' A' ' 54' ' ' LEU . 36.9 Cg_endo -66.45 -24.25 49.7 Favored 'Trans proline' 0 C--N 1.352 0.749 0 C-N-CA 121.884 1.723 . . . . 0.0 112.342 -179.301 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.9 m -77.74 -31.29 52.04 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.071 0.462 . . . . 0.0 110.74 -179.659 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.463 HG11 ' HB3' ' A' ' 42' ' ' ASN . 68.9 t -96.73 -43.16 12.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.609 -174.105 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.433 HG12 ' HG ' ' A' ' 83' ' ' LEU . 47.2 mt -56.89 -42.08 77.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.699 0.285 . . . . 0.0 110.862 -179.808 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 70.4 m -70.61 -15.24 62.73 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.051 0.453 . . . . 0.0 111.103 -178.403 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 74.7 m-20 -82.54 -49.36 9.97 Favored 'General case' 0 CA--C 1.516 -0.333 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.528 173.542 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.472 ' O ' HG23 ' A' ' 65' ' ' VAL . 34.2 mt -67.47 -46.79 82.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.907 -178.674 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.518 ' O ' HG23 ' A' ' 66' ' ' VAL . 49.4 t80 -54.9 -56.31 20.96 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.686 -177.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 26.0 t -61.47 -29.8 70.2 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.501 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -65.12 -44.68 93.74 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.871 -0.681 . . . . 0.0 111.638 178.195 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.735 HG12 HG11 ' A' ' 70' ' ' VAL . 24.4 t -71.76 -40.2 69.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-O 120.911 0.386 . . . . 0.0 110.548 178.865 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.518 HG23 ' O ' ' A' ' 62' ' ' TYR . 89.6 t -63.96 -31.7 54.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.702 178.673 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -68.32 -12.92 61.82 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.433 -0.348 . . . . 0.0 111.301 176.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 21.9 t -81.87 -14.88 55.61 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.034 0.445 . . . . 0.0 109.858 176.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 90.57 36.36 6.95 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.943 -0.646 . . . . 0.0 112.355 179.125 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.735 HG11 HG12 ' A' ' 65' ' ' VAL . 13.9 p -94.05 163.84 2.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 C-N-CA 122.14 0.176 . . . . 0.0 110.736 -179.521 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.433 ' N ' HG22 ' A' ' 70' ' ' VAL . 40.0 t -65.84 146.54 54.62 Favored 'General case' 0 C--O 1.233 0.21 0 N-CA-C 110.205 -0.294 . . . . 0.0 110.205 175.605 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 13.7 m -55.08 -46.94 75.49 Favored 'General case' 0 CA--C 1.534 0.361 0 N-CA-C 112.433 0.531 . . . . 0.0 112.433 -174.57 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . 0.427 ' HB3' ' OH ' ' A' ' 23' ' ' TYR . 0.2 OUTLIER -76.35 -33.76 58.96 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.747 -0.381 . . . . 0.0 110.74 -174.253 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -69.85 -32.62 71.11 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 178.289 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.563 ' HB2' HG13 ' A' ' 70' ' ' VAL . . . -62.55 -38.84 91.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.671 176.255 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.514 HD23 ' HB3' ' A' ' 118' ' ' TYR . 2.8 tm? -56.45 -53.76 53.63 Favored 'General case' 0 CA--C 1.518 -0.281 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.758 177.729 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.66 ' O ' ' HG ' ' A' ' 81' ' ' LEU . 40.5 mm -61.11 -54.57 33.53 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.013 -178.722 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 33.6 tp60 -52.77 -50.08 64.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.012 179.374 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.64 -40.17 94.98 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.12 -177.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.603 ' O ' HD23 ' A' ' 84' ' ' LEU . 2.3 mm? -63.42 -40.0 96.0 Favored 'General case' 0 C--O 1.22 -0.47 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.977 178.024 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.686 HD22 HG11 ' B' ' 115' ' ' VAL . 25.2 mt -73.32 -33.39 65.11 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 120.816 0.341 . . . . 0.0 111.055 -176.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.591 ' OE1' ' HD2' ' A' ' 38' ' ' ARG . 43.3 mt-10 -68.43 -26.67 65.64 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.493 0.664 . . . . 0.0 110.508 171.115 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.433 ' HG ' HG12 ' A' ' 58' ' ' ILE . 3.4 tm? -76.87 -41.83 42.37 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.649 177.279 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.603 HD23 ' O ' ' A' ' 80' ' ' LEU . 4.0 mm? -70.72 -7.14 42.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.767 -0.651 . . . . 0.0 112.194 -177.648 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -99.62 -30.89 11.86 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 120.989 0.423 . . . . 0.0 110.649 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.506 ' O ' HG13 ' A' ' 90' ' ' VAL . . . -65.26 -46.78 79.15 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.779 -179.049 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.481 ' O ' HG22 ' A' ' 90' ' ' VAL . 1.2 pp -78.52 -13.79 59.66 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 113.275 0.843 . . . . 0.0 113.275 -172.196 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.452 HG11 HD11 ' B' ' 54' ' ' LEU . 15.7 m -94.91 -21.59 5.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 121.926 -0.484 . . . . 0.0 110.676 176.561 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . 0.431 ' CD2' HG22 ' B' ' 104' ' ' VAL . 65.1 t60 -73.8 -29.96 62.47 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 176.388 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.589 ' HA ' HG11 ' B' ' 99' ' ' VAL . 15.1 m -65.76 -27.79 42.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 C-N-CA 120.594 -0.442 . . . . 0.0 111.324 -177.197 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.621 ' HA ' ' HB3' ' A' ' 94' ' ' ALA . 3.7 mm? -65.99 -19.71 65.95 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.203 179.738 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 32.9 t -57.33 -30.06 64.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.284 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 8.9 t -131.96 16.24 4.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.445 0.641 . . . . 0.0 110.126 -179.805 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.621 ' HB3' ' HA ' ' A' ' 91' ' ' LEU . . . -101.38 95.56 6.58 Favored 'General case' 0 N--CA 1.446 -0.627 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.018 176.48 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 26.1 t -71.56 95.68 1.44 Allowed 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.903 -0.589 . . . . 0.0 109.764 179.055 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.799 HD13 ' HB1' ' B' ' 47' ' ' ALA . 15.1 tt -70.56 144.33 13.75 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.506 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.146 179.051 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -98.35 -90.69 1.96 Allowed Glycine 0 N--CA 1.448 -0.512 0 C-N-CA 120.921 -0.657 . . . . 0.0 112.673 -177.553 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -139.92 101.3 4.14 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.814 0.34 . . . . 0.0 111.127 -176.748 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.48 ' CG1' HD11 ' A' ' 96' ' ' ILE . 15.4 m -93.53 142.4 13.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.75 178.253 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 15.4 m -111.65 147.52 35.33 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.264 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 2.8 p -78.8 -0.87 32.21 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.937 0.399 . . . . 0.0 111.691 -178.689 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 44.9 t -97.61 114.38 34.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.473 -177.164 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 121.1 -6.41 10.96 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 121.01 -0.614 . . . . 0.0 112.477 179.081 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 42.9 t -61.82 -30.5 48.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 120.461 0.172 . . . . 0.0 110.901 179.58 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -48.72 -41.03 30.58 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.204 179.524 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 40.9 m -73.83 -27.37 61.06 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.849 -177.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 21.9 m -71.65 -30.96 66.31 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.984 0.421 . . . . 0.0 110.326 -178.062 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.538 ' O ' HG12 ' A' ' 111' ' ' VAL . 4.5 mm? -60.48 -29.87 69.34 Favored 'General case' 0 C--O 1.224 -0.249 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.688 176.397 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 16.2 m-80 -73.5 -19.86 60.82 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.336 -179.494 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 28.3 t -89.83 -36.25 8.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 120.938 0.399 . . . . 0.0 110.865 -176.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.538 HG12 ' O ' ' A' ' 108' ' ' LEU . 11.1 p -63.26 -26.99 42.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 121.43 0.633 . . . . 0.0 110.49 -179.785 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . 0.51 ' HG2' HG12 ' B' ' 27' ' ' VAL . 22.7 mt-30 -69.13 -21.72 64.0 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.972 179.783 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -81.53 -39.72 24.24 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.807 -176.332 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . 0.416 ' HB2' HD12 ' A' ' 58' ' ' ILE . 10.0 p -78.93 -39.32 35.03 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.418 -0.81 . . . . 0.0 112.318 -169.067 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 12.7 p -114.73 -18.97 7.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-O 120.822 0.344 . . . . 0.0 111.812 -173.861 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -61.45 -26.0 65.82 Favored Glycine 0 N--CA 1.453 -0.179 0 C-N-CA 120.874 -0.679 . . . . 0.0 112.648 -177.318 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.4 9.28 18.54 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.662 0.267 . . . . 0.0 111.43 -178.441 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . 0.514 ' HB3' HD23 ' A' ' 76' ' ' LEU . 75.7 m-85 -120.67 -31.3 4.29 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.746 0.308 . . . . 0.0 111.094 176.631 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 28.9 m . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 0.0 112.079 -178.755 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 14.6 m . . . . . 0 N--CA 1.443 -0.815 0 CA-C-O 120.608 0.242 . . . . 0.0 111.432 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 23' ' ' TYR . . . . . 0.578 ' CE1' ' HA ' ' B' ' 74' ' ' GLU . 0.2 OUTLIER -150.89 128.95 11.8 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 171.032 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -76.82 -32.82 57.86 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 120.799 0.333 . . . . 0.0 111.148 179.7 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 25' ' ' GLY . . . . . 0.402 ' HA2' HD22 ' B' ' 28' ' ' ASN . . . -59.32 -30.48 67.84 Favored Glycine 0 N--CA 1.453 -0.217 0 C-N-CA 121.386 -0.435 . . . . 0.0 112.809 -179.458 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -72.17 -15.32 61.96 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.585 0.707 . . . . 0.0 110.013 179.162 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 27' ' ' VAL . . . . . 0.51 HG12 ' HG2' ' A' ' 112' ' ' GLN . 3.9 t -94.19 -40.01 11.05 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 CA-C-N 115.571 -0.741 . . . . 0.0 110.626 -177.759 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 28' ' ' ASN . . . . . 0.402 HD22 ' HA2' ' B' ' 25' ' ' GLY . 57.9 m-80 -64.27 -28.47 69.75 Favored 'General case' 0 N--CA 1.465 0.3 0 N-CA-C 111.846 0.313 . . . . 0.0 111.846 -176.8 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 14.2 ptt180 -89.0 14.78 9.79 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.994 0.426 . . . . 0.0 111.145 -175.761 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . 0.651 HD11 ' HB3' ' B' ' 81' ' ' LEU . 96.1 mt -80.07 -26.7 39.52 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.59 177.619 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 56.0 p -71.99 -6.36 41.63 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.369 0.604 . . . . 0.0 110.536 179.793 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 67.9 m -76.96 153.01 35.01 Favored 'General case' 0 N--CA 1.441 -0.919 0 CA-C-N 115.569 -0.741 . . . . 0.0 111.052 179.84 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.09 -20.43 53.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.28 179.419 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -51.6 -58.29 6.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.446 176.608 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 35' ' ' ALA . . . . . 0.57 ' O ' HG23 ' B' ' 39' ' ' VAL . . . -63.88 -52.19 61.09 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.436 -0.802 . . . . 0.0 111.096 -178.521 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -57.79 -22.26 46.33 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 112.014 0.376 . . . . 0.0 112.014 -175.786 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 24.1 t -86.48 -12.41 49.02 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 111.752 0.278 . . . . 0.0 111.752 179.138 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 38' ' ' ARG . . . . . 0.56 ' HD2' ' OE1' ' B' ' 82' ' ' GLU . 59.9 mtt180 -104.21 -52.61 2.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.592 0.711 . . . . 0.0 109.112 178.689 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 39' ' ' VAL . . . . . 0.57 HG23 ' O ' ' B' ' 35' ' ' ALA . 39.6 t -55.27 -37.89 45.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 114.139 -1.391 . . . . 0.0 111.814 -176.421 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 40' ' ' SER . . . . . 0.425 ' O ' HG12 ' B' ' 43' ' ' ILE . 63.9 p -71.75 -11.58 60.89 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.917 0.389 . . . . 0.0 111.773 -177.834 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 12.8 t -94.67 -14.71 24.6 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.595 0.712 . . . . 0.0 109.335 178.012 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 11.3 m120 -93.44 -25.58 17.58 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.186 -0.915 . . . . 0.0 109.926 -174.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 43' ' ' ILE . . . . . 0.58 HG13 ' N ' ' B' ' 44' ' ' ALA . 4.9 pt -56.99 -37.34 54.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 114.978 -1.01 . . . . 0.0 111.108 -179.697 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 44' ' ' ALA . . . . . 0.58 ' N ' HG13 ' B' ' 43' ' ' ILE . . . -82.19 -2.49 52.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.614 -175.759 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -102.13 -51.12 3.46 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.962 0.411 . . . . 0.0 110.636 178.794 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 46' ' ' ILE . . . . . 0.471 ' HA ' ' CB ' ' B' ' 53' ' ' ALA . 38.1 mt -66.27 -32.68 59.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.615 -178.258 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . 0.799 ' HB1' HD13 ' A' ' 96' ' ' ILE . . . -60.22 -26.48 66.44 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.224 179.322 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 73.8 m -98.39 -42.27 7.43 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.923 -176.606 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -87.11 -22.12 46.53 Favored Glycine 0 CA--C 1.518 0.239 0 C-N-CA 120.568 -0.825 . . . . 0.0 113.198 -175.576 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 72.88 -78.2 0.77 Allowed Glycine 0 N--CA 1.448 -0.508 0 N-CA-C 111.968 -0.453 . . . . 0.0 111.968 179.839 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -117.28 -30.07 5.7 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-O 121.053 0.454 . . . . 0.0 110.592 -178.788 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 39.7 m -73.57 -7.33 51.45 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.315 0.579 . . . . 0.0 110.428 -179.342 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . 0.471 ' CB ' ' HA ' ' B' ' 46' ' ' ILE . . . -84.12 -25.25 29.84 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.381 179.049 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 54' ' ' LEU . . . . . 0.501 ' O ' HG13 ' B' ' 58' ' ' ILE . 52.3 mt -52.44 -58.52 11.42 Favored Pre-proline 0 CA--C 1.535 0.395 0 CA-C-N 115.882 -0.599 . . . . 0.0 112.223 -176.504 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 55' ' ' PRO . . . . . 0.428 ' HD3' ' HB2' ' B' ' 54' ' ' LEU . 36.2 Cg_endo -66.24 -13.58 40.5 Favored 'Trans proline' 0 C--N 1.352 0.714 0 C-N-CA 121.988 1.792 . . . . 0.0 112.573 -176.766 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 16.1 m -96.02 -18.25 20.36 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.798 -179.129 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . 0.402 HG23 ' O ' ' B' ' 53' ' ' ALA . 68.9 t -104.61 -40.52 6.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.36 -175.463 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 58' ' ' ILE . . . . . 0.603 HG12 HD22 ' B' ' 83' ' ' LEU . 43.6 mt -56.27 -43.81 77.79 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.227 0 CA-C-O 120.857 0.36 . . . . 0.0 110.822 -179.07 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 22.5 t -67.5 -29.03 68.34 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.681 -177.325 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 63.9 m-20 -69.14 -49.57 55.74 Favored 'General case' 0 CA--C 1.517 -0.313 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.727 178.343 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 33.8 mt -67.59 -43.76 86.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.803 179.37 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 62' ' ' TYR . . . . . 0.478 ' O ' HG23 ' B' ' 66' ' ' VAL . 39.5 t80 -54.4 -56.44 18.65 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.715 -178.679 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 14.1 t -61.46 -30.87 70.87 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.495 -179.111 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -62.5 -44.9 96.93 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 121.199 -0.524 . . . . 0.0 111.991 178.751 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 65' ' ' VAL . . . . . 0.626 HG11 ' HG2' ' B' ' 78' ' ' GLN . 21.1 t -75.98 -39.76 37.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 120.834 0.35 . . . . 0.0 110.928 -179.345 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 66' ' ' VAL . . . . . 0.478 HG23 ' O ' ' B' ' 62' ' ' TYR . 84.5 t -58.4 -40.43 78.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.923 0.392 . . . . 0.0 110.823 179.509 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -69.64 -11.18 60.64 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.651 179.557 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 15.3 t -84.05 -22.15 31.34 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.729 0.299 . . . . 0.0 110.47 -179.359 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 105.9 31.91 4.01 Favored Glycine 0 C--N 1.33 0.206 0 C-N-CA 120.636 -0.792 . . . . 0.0 112.595 -179.227 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . 0.519 HG11 HG12 ' B' ' 65' ' ' VAL . 11.6 p -85.46 160.36 3.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 178.139 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 46.9 t -64.89 142.84 58.3 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 174.04 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 3.7 m -51.39 -51.72 52.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 112.171 -174.436 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -80.14 -23.81 40.89 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.93 0.395 . . . . 0.0 110.555 -174.578 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 74' ' ' GLU . . . . . 0.578 ' HA ' ' CE1' ' B' ' 23' ' ' TYR . 38.4 tt0 -72.79 -27.17 61.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.222 179.034 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.63 -36.68 81.47 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.387 179.527 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -58.9 -48.98 79.51 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.795 0.331 . . . . 0.0 110.266 179.338 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 77' ' ' ILE . . . . . 0.727 ' O ' ' HG ' ' B' ' 81' ' ' LEU . 32.9 mm -63.06 -55.42 23.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.872 -179.397 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 78' ' ' GLN . . . . . 0.626 ' HG2' HG11 ' B' ' 65' ' ' VAL . 28.5 tp60 -53.88 -50.11 67.05 Favored 'General case' 0 C--N 1.33 -0.267 0 O-C-N 123.326 0.391 . . . . 0.0 111.313 179.536 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.28 -36.78 83.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.135 -178.226 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 80' ' ' LEU . . . . . 0.591 ' O ' HD23 ' B' ' 84' ' ' LEU . 6.8 mt -69.75 -42.41 73.93 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.864 -0.334 . . . . 0.0 110.831 177.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . 0.727 ' HG ' ' O ' ' B' ' 77' ' ' ILE . 61.0 mt -57.29 -43.21 82.97 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.19 0.519 . . . . 0.0 110.433 178.647 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 82' ' ' GLU . . . . . 0.56 ' OE1' ' HD2' ' B' ' 38' ' ' ARG . 43.4 mt-10 -65.77 -38.25 88.54 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.717 176.649 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 83' ' ' LEU . . . . . 0.603 HD22 HG12 ' B' ' 58' ' ' ILE . 38.9 tp -64.21 -43.13 95.97 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.184 0.516 . . . . 0.0 110.573 178.587 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 84' ' ' LEU . . . . . 0.591 HD23 ' O ' ' B' ' 80' ' ' LEU . 4.2 mm? -65.78 -8.02 19.15 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.355 -0.839 . . . . 0.0 111.707 -178.211 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 85' ' ' SER . . . . . 0.429 ' OG ' HD13 ' A' ' 108' ' ' LEU . 20.5 m -97.91 -27.36 14.31 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 120.819 0.343 . . . . 0.0 110.871 179.136 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 86' ' ' ALA . . . . . 0.443 ' HB2' HG13 ' B' ' 39' ' ' VAL . . . -74.71 -45.31 45.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.406 0.622 . . . . 0.0 110.669 -177.088 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 87' ' ' LEU . . . . . 0.48 HD12 ' N ' ' B' ' 88' ' ' VAL . 1.1 pp -78.15 -18.86 55.04 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.402 -0.817 . . . . 0.0 112.687 -172.634 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 88' ' ' VAL . . . . . 0.48 ' N ' HD12 ' B' ' 87' ' ' LEU . 17.0 m -89.62 -26.63 5.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 C-N-CA 120.383 -0.527 . . . . 0.0 110.73 177.586 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 89' ' ' HIS . . . . . . . . . . . . . 45.6 t60 -67.72 -35.43 78.77 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.051 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 90' ' ' VAL . . . . . 0.467 ' HA ' HG11 ' A' ' 99' ' ' VAL . 27.5 m -66.44 -26.01 36.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.591 -175.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 91' ' ' LEU . . . . . 0.631 ' HA ' ' HB3' ' B' ' 94' ' ' ALA . 3.3 mm? -66.28 -22.57 66.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.673 -0.239 . . . . 0.0 110.934 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 31.2 t -57.7 -31.78 66.72 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.412 179.295 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 10.4 t -123.51 19.84 9.58 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-O 121.593 0.711 . . . . 0.0 109.889 -179.602 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 94' ' ' ALA . . . . . 0.631 ' HB3' ' HA ' ' B' ' 91' ' ' LEU . . . -110.53 94.81 5.19 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.096 176.433 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 22.7 t -76.47 94.02 3.62 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.223 0.535 . . . . 0.0 109.868 -179.199 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 96' ' ' ILE . . . . . 0.562 HD13 ' HB1' ' A' ' 47' ' ' ALA . 12.8 tt -72.28 149.86 8.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.124 177.868 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 97' ' ' GLY . . . . . . . . . . . . . . . -84.53 -86.82 0.89 Allowed Glycine 0 N--CA 1.451 -0.339 0 N-CA-C 110.651 -0.979 . . . . 0.0 110.651 172.736 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 98' ' ' ASN . . . . . . . . . . . . . 57.7 t30 -153.3 149.87 28.34 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 108.814 -0.81 . . . . 0.0 108.814 169.766 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 99' ' ' VAL . . . . . 0.589 HG11 ' HA ' ' A' ' 90' ' ' VAL . 3.6 m -127.12 120.45 55.41 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.834 0 CA-C-O 121.168 0.508 . . . . 0.0 110.602 178.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 100' ' ' SER . . . . . . . . . . . . . 48.5 m -84.51 156.22 21.79 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.679 -0.692 . . . . 0.0 110.927 -177.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 101' ' ' SER . . . . . 0.426 ' HB3' ' HB3' ' A' ' 40' ' ' SER . 16.9 m -77.83 38.39 0.26 Allowed 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.686 -176.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 56.8 t -124.66 120.44 58.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.13 -176.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . 106.84 -9.84 40.6 Favored Glycine 0 N--CA 1.447 -0.575 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.559 178.443 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 104' ' ' VAL . . . . . 0.431 HG22 ' CD2' ' A' ' 89' ' ' HIS . 21.9 t -63.26 -31.99 54.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 120.631 0.253 . . . . 0.0 110.392 179.856 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -48.46 -45.15 36.24 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.54 179.745 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 12.8 m -74.73 -23.74 58.61 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.198 -0.91 . . . . 0.0 111.616 -177.775 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 25.1 m -75.57 -31.89 60.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.024 0.44 . . . . 0.0 109.944 -178.089 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 108' ' ' LEU . . . . . 0.662 HD12 ' HB3' ' A' ' 30' ' ' LEU . 3.9 mm? -57.34 -38.06 73.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.516 175.388 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 109' ' ' ASN . . . . . . . . . . . . . 20.0 m-80 -66.29 -24.32 66.53 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.199 -178.727 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 110' ' ' VAL . . . . . . . . . . . . . 29.0 t -81.79 -42.56 19.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.953 0.406 . . . . 0.0 110.587 -178.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 111' ' ' VAL . . . . . 0.6 HG12 ' O ' ' B' ' 108' ' ' LEU . 9.8 p -62.71 -28.37 44.76 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.269 0 CA-C-O 121.296 0.57 . . . . 0.0 110.387 -177.87 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 112' ' ' GLN . . . . . 0.565 ' HG3' ' O ' ' B' ' 108' ' ' LEU . 26.2 mt-30 -66.4 -29.39 69.54 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.991 179.883 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 113' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -73.25 -34.89 66.1 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.479 -175.07 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 5.9 m -82.63 -35.89 26.57 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.412 -0.813 . . . . 0.0 112.184 -170.358 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 115' ' ' VAL . . . . . 0.686 HG11 HD22 ' A' ' 81' ' ' LEU . 12.5 p -108.66 -23.22 4.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 C-N-CA 120.917 -0.313 . . . . 0.0 111.783 -172.138 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 116' ' ' GLY . . . . . . . . . . . . . . . -59.2 -25.56 60.23 Favored Glycine 0 C--N 1.332 0.361 0 C-N-CA 121.383 -0.437 . . . . 0.0 113.163 -175.528 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.16 2.25 44.44 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 112.041 0.385 . . . . 0.0 112.041 -177.784 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 118' ' ' TYR . . . . . . . . . . . . . 71.6 m-85 -117.55 -30.52 5.48 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.721 0.296 . . . . 0.0 110.989 177.23 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 119' ' ' VAL . . . . . 0.42 HG21 HG21 ' A' ' 27' ' ' VAL . 29.6 m -85.77 -2.3 7.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.318 179.605 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.255 1.467 0 N-CA-C 109.983 -1.247 . . . . 0.0 109.983 177.029 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.846 0 N-CA-C 111.867 -0.493 . . . . 0.0 111.867 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 35.2 p -149.8 -31.65 0.21 Allowed 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.82 0.343 . . . . 0.0 111.277 -178.286 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . 86.46 -53.88 4.61 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.851 -0.69 . . . . 0.0 111.814 -177.272 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' -2' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -67.64 97.26 0.6 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.955 0.407 . . . . 0.0 110.619 177.613 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 15.9 m -100.27 135.77 41.19 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 176.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 38.8 t -125.84 -76.35 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 120.751 0.31 . . . . 0.0 110.867 -177.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 10.5 t -171.74 171.3 5.29 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 -176.743 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.5 p -161.35 147.95 14.54 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.734 0.302 . . . . 0.0 110.791 -178.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -93.92 175.16 35.03 Favored Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.686 -0.769 . . . . 0.0 111.87 178.61 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -78.36 64.26 3.53 Favored Glycine 0 N--CA 1.453 -0.184 0 C-N-CA 120.974 -0.632 . . . . 0.0 112.643 -179.232 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.467 ' HA ' HG22 ' A' ' 10' ' ' THR . 35.0 p90 -167.95 -179.02 3.99 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 179.234 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 78.67 -72.71 2.36 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.859 -0.686 . . . . 0.0 112.709 177.058 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.495 ' CE2' ' HB ' ' B' ' 2' ' ' THR . 64.6 m-85 -73.51 -29.45 62.5 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.379 0.609 . . . . 0.0 109.887 -179.763 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -170.37 132.37 2.48 Favored Glycine 0 N--CA 1.442 -0.937 0 CA-C-N 115.077 -0.965 . . . . 0.0 111.288 178.288 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.467 HG22 ' HA ' ' A' ' 6' ' ' TYR . 38.0 p -122.45 -70.33 0.78 Allowed 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.681 -0.488 . . . . 0.0 109.681 177.505 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 34.8 p -158.17 165.77 34.1 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.544 -0.753 . . . . 0.0 109.15 175.558 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.443 ' H ' ' C ' ' B' ' 120' ' ' GLY . . . 65.86 53.14 1.17 Allowed 'General case' 0 N--CA 1.463 0.205 0 O-C-N 123.677 0.61 . . . . 0.0 110.612 -176.372 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -128.64 177.92 6.69 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.299 -176.129 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -84.73 -48.27 9.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.003 179.416 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.582 ' HA3' ' H ' ' A' ' 25' ' ' GLY . . . 126.56 -163.57 20.43 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.181 -1.009 . . . . 0.0 113.227 175.533 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 63.9 85.0 0.14 Allowed 'General case' 0 C--O 1.232 0.145 0 C-N-CA 123.244 0.617 . . . . 0.0 111.457 -179.785 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 57.96 53.91 41.66 Favored Glycine 0 CA--C 1.521 0.459 0 CA-C-N 115.558 -0.746 . . . . 0.0 113.094 -179.029 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.441 ' CG2' ' HA ' ' A' ' 23' ' ' TYR . 0.2 OUTLIER -93.27 -59.51 3.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 N-CA-C 111.869 0.322 . . . . 0.0 111.869 179.003 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -108.33 -174.16 2.45 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 110.086 -0.339 . . . . 0.0 110.086 -178.512 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -69.33 -46.71 66.43 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.127 -177.621 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.492 ' CA ' ' HA3' ' B' ' 21' ' ' GLY . . . -133.58 7.82 4.94 Favored Glycine 0 CA--C 1.506 -0.47 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.098 179.485 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.435 ' O ' HG23 ' A' ' 18' ' ' VAL . 18.8 m -117.55 127.75 54.28 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-O 120.893 0.377 . . . . 0.0 110.977 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.441 ' HA ' ' CG2' ' A' ' 18' ' ' VAL . 0.2 OUTLIER -147.15 125.78 12.53 Favored 'General case' 0 N--CA 1.447 -0.582 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.787 178.072 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.449 ' HB2' ' HA3' ' B' ' 120' ' ' GLY . . . -86.21 -16.84 36.46 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 111.99 0.367 . . . . 0.0 111.99 -175.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.582 ' H ' ' HA3' ' A' ' 15' ' ' GLY . . . -64.58 -30.6 78.35 Favored Glycine 0 CA--C 1.511 -0.17 0 C-N-CA 120.597 -0.811 . . . . 0.0 111.533 -178.299 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.572 ' HB1' ' HB2' ' A' ' 78' ' ' GLN . . . -67.89 -16.88 64.29 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 114.942 -0.629 . . . . 0.0 110.949 176.44 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.524 HG22 ' CD1' ' A' ' 81' ' ' LEU . 2.9 t -95.44 -41.66 11.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.868 -175.432 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 31.7 m-80 -68.25 -20.06 64.77 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.278 -0.569 . . . . 0.0 110.526 -178.345 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 65.9 ttt180 -77.25 -5.62 50.02 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.095 179.68 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.572 HD11 ' HB3' ' A' ' 81' ' ' LEU . 72.9 mt -76.38 -27.71 56.48 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.211 -178.871 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 43.3 p -81.18 9.27 7.13 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.56 0.695 . . . . 0.0 110.207 178.558 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 44.2 t -97.46 152.75 18.66 Favored 'General case' 0 N--CA 1.444 -0.753 0 CA-C-N 115.012 -0.995 . . . . 0.0 109.227 177.527 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.32 -18.35 61.17 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.05 0.452 . . . . 0.0 111.381 -177.195 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.409 ' H ' ' HG3' ' A' ' 34' ' ' GLU . 28.7 mt-10 -54.3 -58.09 8.73 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.663 178.547 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.613 ' O ' HG23 ' A' ' 39' ' ' VAL . . . -59.95 -51.98 67.34 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.478 177.735 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -51.26 -34.03 30.89 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.971 -0.558 . . . . 0.0 111.925 -176.174 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 50.2 m -72.69 -24.62 61.04 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.96 -178.36 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.505 ' HD2' ' OE1' ' A' ' 82' ' ' GLU . 73.3 mtt180 -98.2 -45.12 6.32 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.799 0.809 . . . . 0.0 109.437 -176.483 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.613 HG23 ' O ' ' A' ' 35' ' ' ALA . 42.0 t -61.97 -43.47 97.61 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.851 0 CA-C-N 114.293 -1.321 . . . . 0.0 111.278 -176.477 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.473 ' O ' HG12 ' A' ' 43' ' ' ILE . 96.6 p -75.16 -11.26 60.04 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.012 0.434 . . . . 0.0 111.07 -178.167 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 35.8 t -87.5 -17.64 31.66 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.069 0.461 . . . . 0.0 110.082 -179.727 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 41.8 m-80 -114.43 -1.63 13.43 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.29 -174.14 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.473 HG12 ' O ' ' A' ' 40' ' ' SER . 4.2 pt -57.92 -41.31 79.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.931 176.526 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.467 ' N ' HG13 ' A' ' 43' ' ' ILE . . . -78.01 -11.79 59.93 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.993 -176.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -84.47 -53.1 5.66 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.226 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.423 HG21 ' HB3' ' A' ' 87' ' ' LEU . 50.2 mt -64.48 -33.78 65.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.34 179.517 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.784 ' HB1' HD13 ' B' ' 96' ' ' ILE . . . -62.84 -24.65 67.89 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.493 179.642 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 33.1 t -95.08 -42.66 8.49 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.263 -177.446 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -88.91 -22.73 37.8 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.488 -0.863 . . . . 0.0 113.205 -175.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 73.43 -77.14 0.91 Allowed Glycine 0 N--CA 1.449 -0.469 0 N-CA-C 111.522 -0.631 . . . . 0.0 111.522 -178.113 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -119.97 -20.28 7.55 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-O 121.258 0.552 . . . . 0.0 110.065 178.395 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 12.8 m -74.19 -11.23 60.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.767 -178.298 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.407 ' HB3' ' HA ' ' A' ' 46' ' ' ILE . . . -93.44 -15.65 25.38 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.777 -179.795 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.448 ' N ' ' HD2' ' A' ' 55' ' ' PRO . 54.1 mt -55.52 -57.11 22.66 Favored Pre-proline 0 CA--C 1.535 0.376 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.969 -176.768 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.448 ' HD2' ' N ' ' A' ' 54' ' ' LEU . 17.9 Cg_endo -61.42 -20.34 68.02 Favored 'Trans proline' 0 C--N 1.352 0.733 0 C-N-CA 122.253 1.969 . . . . 0.0 112.484 -177.262 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 15.1 m -89.28 -43.94 10.6 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.96 0.41 . . . . 0.0 110.781 179.628 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 76.7 t -76.58 -39.75 32.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.545 -172.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.457 HG12 ' HG ' ' A' ' 83' ' ' LEU . 57.3 mt -60.27 -36.54 69.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.098 176.362 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 37.8 t -68.87 -39.6 79.75 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 116.136 -0.484 . . . . 0.0 109.94 179.651 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -60.8 -47.69 85.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.655 178.64 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 63.0 mt -74.54 -45.98 43.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 115.659 -0.7 . . . . 0.0 111.752 -175.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.417 ' O ' HG23 ' A' ' 66' ' ' VAL . 61.7 t80 -54.54 -50.74 67.18 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.657 -0.247 . . . . 0.0 111.308 -177.392 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 32.9 t -60.56 -31.38 70.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.941 0.401 . . . . 0.0 110.456 179.69 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -69.04 -38.72 84.45 Favored Glycine 0 N--CA 1.448 -0.544 0 C-N-CA 120.757 -0.735 . . . . 0.0 111.587 -179.471 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.738 HG12 HG11 ' A' ' 70' ' ' VAL . 48.7 t -72.43 -46.0 57.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 120.892 0.377 . . . . 0.0 110.94 179.301 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.417 HG23 ' O ' ' A' ' 62' ' ' TYR . 59.0 t -62.24 -30.72 49.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.898 -178.76 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.01 -19.32 62.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.956 -0.565 . . . . 0.0 112.017 179.284 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 22.9 m -75.79 -21.67 57.15 Favored 'General case' 0 N--CA 1.445 -0.691 0 CA-C-O 120.936 0.398 . . . . 0.0 111.237 178.727 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 93.0 42.34 4.4 Favored Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 120.628 -0.796 . . . . 0.0 111.721 -175.756 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.738 HG11 HG12 ' A' ' 65' ' ' VAL . 9.8 p -100.02 157.9 3.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 179.065 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 42.0 t -57.81 140.59 51.36 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 110.309 -0.256 . . . . 0.0 110.309 176.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 4.4 m -53.46 -44.83 69.24 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.964 0.412 . . . . 0.0 111.845 -176.086 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -76.47 -32.93 58.67 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.717 -174.561 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -75.21 -30.28 60.56 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.045 0.45 . . . . 0.0 109.859 177.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.635 ' HB2' HG13 ' A' ' 70' ' ' VAL . . . -61.76 -39.7 92.53 Favored 'General case' 0 CA--C 1.519 -0.247 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.61 175.173 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.487 HD23 ' HB3' ' A' ' 118' ' ' TYR . 2.9 tm? -54.24 -49.3 69.79 Favored 'General case' 0 CA--C 1.517 -0.301 0 CA-C-N 115.802 -0.636 . . . . 0.0 109.494 177.094 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.684 ' O ' ' HG ' ' A' ' 81' ' ' LEU . 41.6 mm -62.3 -55.13 25.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 115.51 -0.768 . . . . 0.0 111.227 -177.669 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . 0.572 ' HB2' ' HB1' ' A' ' 26' ' ' ALA . 53.5 tt0 -56.22 -50.13 72.14 Favored 'General case' 0 CA--C 1.52 -0.188 0 CA-C-O 120.885 0.374 . . . . 0.0 110.858 -178.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.11 -40.1 88.53 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.58 -0.736 . . . . 0.0 111.124 -178.279 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.683 ' O ' ' HG ' ' A' ' 84' ' ' LEU . 3.3 mm? -65.1 -43.35 92.36 Favored 'General case' 0 C--O 1.221 -0.398 0 CA-C-N 116.635 -0.257 . . . . 0.0 110.594 175.455 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.684 ' HG ' ' O ' ' A' ' 77' ' ' ILE . 45.2 mt -65.72 -40.04 91.79 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.519 0.199 . . . . 0.0 111.329 -178.094 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.505 ' OE1' ' HD2' ' A' ' 38' ' ' ARG . 51.3 mt-10 -61.68 -40.23 94.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.215 0.531 . . . . 0.0 109.751 172.827 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.457 ' HG ' HG12 ' A' ' 58' ' ' ILE . 3.4 tm? -62.31 -43.56 98.53 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.393 177.501 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.683 ' HG ' ' O ' ' A' ' 80' ' ' LEU . 13.3 mt -63.53 -16.16 59.98 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.274 -177.19 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 36.3 m -92.74 -29.62 15.94 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 120.836 0.351 . . . . 0.0 111.234 -173.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -69.27 -43.37 74.02 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.322 0.582 . . . . 0.0 110.659 -177.441 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.481 HD12 HG13 ' A' ' 88' ' ' VAL . 1.3 pp -82.39 -16.55 48.67 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.464 -0.789 . . . . 0.0 112.948 -172.107 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.491 HG11 HD11 ' B' ' 54' ' ' LEU . 15.8 m -91.02 -23.61 5.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 C-N-CA 120.094 -0.642 . . . . 0.0 110.485 177.756 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 60.1 t60 -72.53 -35.61 68.1 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.106 178.383 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 33.2 m -65.74 -27.13 40.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.208 -176.346 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.582 ' HA ' ' HB3' ' A' ' 94' ' ' ALA . 3.0 mm? -65.92 -22.84 66.52 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.651 0.262 . . . . 0.0 111.523 -179.498 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 27.0 t -63.98 -30.19 71.28 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.3 0.571 . . . . 0.0 110.354 179.472 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.532 ' HB2' HG12 ' B' ' 99' ' ' VAL . 23.8 m -106.1 -25.84 11.86 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.079 -179.376 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.582 ' HB3' ' HA ' ' A' ' 91' ' ' LEU . . . -72.47 100.24 2.67 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.45 -0.795 . . . . 0.0 111.149 -179.658 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 5.2 p -71.76 89.29 1.03 Allowed 'General case' 0 N--CA 1.424 -1.751 0 CA-C-N 115.196 -0.911 . . . . 0.0 110.155 176.292 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.772 HD13 ' HB1' ' B' ' 47' ' ' ALA . 19.4 tt -70.42 142.78 15.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-O 120.918 0.389 . . . . 0.0 111.43 -177.51 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -92.21 -104.28 1.5 Allowed Glycine 0 N--CA 1.446 -0.652 0 C-N-CA 120.805 -0.712 . . . . 0.0 111.891 177.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -129.3 117.29 20.43 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.944 0.402 . . . . 0.0 110.532 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.551 HG13 HD11 ' A' ' 96' ' ' ILE . 6.2 m -97.32 137.45 24.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.989 178.542 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 12.8 m -93.44 152.82 18.85 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.169 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 14.9 m -86.72 28.58 0.87 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.979 0.419 . . . . 0.0 110.839 -179.58 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 7.2 p -127.86 137.66 56.94 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.484 0 CA-C-O 121.05 0.452 . . . . 0.0 110.256 -176.328 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 98.98 -8.59 61.22 Favored Glycine 0 N--CA 1.449 -0.497 0 CA-C-N 115.756 -0.656 . . . . 0.0 112.253 179.107 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 24.9 t -57.0 -37.26 53.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 175.679 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -51.76 -45.37 63.7 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.159 -0.928 . . . . 0.0 110.476 176.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 14.7 m -73.84 -37.56 64.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.439 -0.8 . . . . 0.0 111.118 -177.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 24.0 m -60.95 -38.58 86.35 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-O 121.171 0.51 . . . . 0.0 110.176 178.618 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.591 ' O ' ' HG3' ' A' ' 112' ' ' GLN . 3.6 mt -58.45 -33.38 69.67 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.472 -0.785 . . . . 0.0 111.316 177.288 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . 0.431 HD22 ' N ' ' A' ' 109' ' ' ASN . 0.9 OUTLIER -67.1 -24.32 65.93 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.913 0.387 . . . . 0.0 110.633 179.754 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 38.2 t -85.51 -39.86 14.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.98 -177.039 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.562 HG12 ' O ' ' A' ' 108' ' ' LEU . 9.0 p -61.6 -29.03 45.26 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.304 0 CA-C-O 121.383 0.611 . . . . 0.0 110.195 -178.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . 0.591 ' HG3' ' O ' ' A' ' 108' ' ' LEU . 24.7 mt-30 -66.62 -24.67 66.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.386 -0.824 . . . . 0.0 111.099 -179.511 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -79.27 -37.72 37.19 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.379 -176.048 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 4.3 m -75.8 -45.69 34.7 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.169 -0.923 . . . . 0.0 112.155 -171.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.543 HG11 HD22 ' B' ' 81' ' ' LEU . 11.6 p -109.63 -18.44 7.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-O 120.906 0.384 . . . . 0.0 111.68 -172.81 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -60.31 -26.89 64.62 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 121.024 -0.607 . . . . 0.0 112.553 -178.432 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.1 -3.49 58.12 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 111.456 0.169 . . . . 0.0 111.456 -179.285 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . 0.487 ' HB3' HD23 ' A' ' 76' ' ' LEU . 67.7 m-85 -106.68 -32.4 8.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.951 0.405 . . . . 0.0 110.282 178.161 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 32.8 m -88.38 -5.99 10.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.462 176.655 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.603 0 C-N-CA 120.979 -0.629 . . . . 0.0 112.136 177.565 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 N-CA-C 111.882 -0.487 . . . . 0.0 111.882 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' -4' ' ' SER . . . . . . . . . . . . . 5.7 p -104.89 6.32 33.64 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.152 0.501 . . . . 0.0 111.085 -179.684 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' -3' ' ' GLY . . . . . . . . . . . . . . . 89.66 -61.15 3.51 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 120.798 -0.715 . . . . 0.0 111.54 -176.578 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' -2' ' ' ASN . . . . . . . . . . . . . 27.1 p30 -110.36 160.42 16.58 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 110.083 -0.34 . . . . 0.0 110.083 175.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' -1' ' ' SER . . . . . . . . . . . . . 64.2 m -146.43 102.93 3.64 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.128 0.489 . . . . 0.0 111.005 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 31.0 t -99.64 147.07 7.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 174.656 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' THR . . . . . 0.495 ' HB ' ' CE2' ' A' ' 8' ' ' TYR . 14.5 t -58.29 153.59 15.06 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.398 0.618 . . . . 0.0 112.664 -173.622 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 16.9 p -149.47 166.17 29.93 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.287 -0.87 . . . . 0.0 109.855 179.259 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -72.03 152.17 48.27 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.987 -0.625 . . . . 0.0 112.42 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -77.9 63.79 3.45 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 121.322 -0.466 . . . . 0.0 113.368 -176.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' TYR . . . . . . . . . . . . . 21.9 p90 -135.52 -173.02 3.23 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 177.45 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . 83.65 -60.56 4.85 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.852 177.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 33.1 m-85 -61.95 -69.58 0.24 Allowed 'General case' 0 C--O 1.234 0.25 0 CA-C-O 121.233 0.54 . . . . 0.0 110.728 -178.226 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -144.08 83.11 0.2 Allowed Glycine 0 N--CA 1.445 -0.719 0 N-CA-C 111.087 -0.805 . . . . 0.0 111.087 176.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 75.0 p -65.42 -43.36 90.75 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.823 0.344 . . . . 0.0 111.564 -174.504 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 32.9 p -160.14 162.24 33.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.516 -178.53 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . 62.42 16.21 8.42 Favored 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 123.291 0.636 . . . . 0.0 111.934 176.028 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -86.35 150.7 24.15 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.972 -176.588 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.75 -43.72 97.62 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.547 -178.525 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' GLY . . . . . 0.574 ' HA3' ' N ' ' B' ' 25' ' ' GLY . . . 132.37 -163.53 24.0 Favored Glycine 0 N--CA 1.447 -0.583 0 C-N-CA 120.224 -0.989 . . . . 0.0 112.903 176.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . 64.62 86.88 0.12 Allowed 'General case' 0 C--O 1.232 0.158 0 C-N-CA 123.126 0.57 . . . . 0.0 111.372 -178.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 56.76 47.71 83.56 Favored Glycine 0 CA--C 1.519 0.331 0 CA-C-N 115.595 -0.73 . . . . 0.0 113.156 179.518 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 1.2 m -87.1 -44.0 16.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 120.798 0.332 . . . . 0.0 111.793 -179.637 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -124.59 175.97 6.83 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 116.276 -0.42 . . . . 0.0 109.925 179.509 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.56 -45.74 89.08 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.236 -178.638 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . 0.492 ' HA3' ' CA ' ' A' ' 21' ' ' GLY . . . -137.55 33.32 2.29 Favored Glycine 0 N--CA 1.448 -0.536 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.082 -178.633 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 10.6 m -146.38 126.52 13.8 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 115.569 -0.315 . . . . 0.0 110.171 179.085 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' TYR . . . . . 0.557 ' CE1' ' HA ' ' B' ' 74' ' ' GLU . 0.1 OUTLIER -149.7 118.53 6.64 Favored 'General case' 0 N--CA 1.447 -0.599 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.213 -178.092 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -78.32 -16.04 58.13 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.912 179.413 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . 0.574 ' N ' ' HA3' ' B' ' 15' ' ' GLY . . . -66.95 -26.84 73.23 Favored Glycine 0 C--N 1.332 0.309 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.808 179.689 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' ALA . . . . . 0.484 ' HB1' ' HB2' ' B' ' 78' ' ' GLN . . . -79.07 -3.49 45.53 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.057 0.456 . . . . 0.0 110.564 178.427 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . 0.499 HG13 HD13 ' B' ' 81' ' ' LEU . 2.7 t -107.89 -48.59 7.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.921 -176.586 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 10.9 p30 -76.46 4.74 8.49 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 121.1 0.476 . . . . 0.0 110.903 -177.045 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 80.0 ttt180 -93.81 -11.76 30.55 Favored 'General case' 0 N--CA 1.447 -0.58 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.856 175.112 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . 0.558 HD11 ' HB3' ' B' ' 81' ' ' LEU . 69.4 mt -71.58 -21.82 61.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.981 -176.416 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 2.9 p -76.99 0.14 22.29 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.142 179.044 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 31.6 t -86.72 157.84 19.55 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.947 178.393 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.59 -21.7 60.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.373 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -51.37 -63.21 1.21 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.802 -0.636 . . . . 0.0 111.085 179.383 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 35' ' ' ALA . . . . . 0.506 ' O ' HG23 ' B' ' 39' ' ' VAL . . . -59.93 -50.61 73.09 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.437 -0.801 . . . . 0.0 111.124 -178.465 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -54.75 -28.17 46.55 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 111.908 0.336 . . . . 0.0 111.908 -176.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 47.7 m -81.98 -20.36 38.67 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.285 -0.416 . . . . 0.0 112.07 -179.409 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 38' ' ' ARG . . . . . 0.434 ' HD2' ' OE1' ' B' ' 82' ' ' GLU . 56.7 mtt180 -98.12 -50.56 4.32 Favored 'General case' 0 CA--C 1.514 -0.427 0 CA-C-O 121.724 0.773 . . . . 0.0 109.093 -179.05 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . 0.521 ' O ' HG23 ' B' ' 43' ' ' ILE . 48.6 t -59.08 -33.2 49.64 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 CA-C-N 114.033 -1.44 . . . . 0.0 111.522 -175.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 56.3 p -73.0 -13.19 61.18 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.12 0.486 . . . . 0.0 111.189 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 29.8 t -91.31 -14.63 30.47 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.693 0.759 . . . . 0.0 109.214 177.18 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 42' ' ' ASN . . . . . 0.413 ' HB3' HG11 ' B' ' 57' ' ' VAL . 11.8 m120 -97.15 -24.96 15.49 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.079 -0.964 . . . . 0.0 110.257 -174.41 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 43' ' ' ILE . . . . . 0.541 HG13 ' N ' ' B' ' 44' ' ' ALA . 4.6 pt -56.33 -42.66 74.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.432 -0.803 . . . . 0.0 111.743 -176.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . 0.541 ' N ' HG13 ' B' ' 43' ' ' ILE . . . -77.06 -19.02 57.64 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.079 0.466 . . . . 0.0 110.704 -176.489 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -83.37 -51.3 7.52 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.572 -176.659 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 46' ' ' ILE . . . . . 0.496 HG21 ' HB3' ' B' ' 87' ' ' LEU . 53.0 mt -65.82 -36.06 76.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.185 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . 0.772 ' HB1' HD13 ' A' ' 96' ' ' ILE . . . -61.03 -28.82 69.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.247 -179.846 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 44.2 m -94.92 -5.66 44.3 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.884 -0.598 . . . . 0.0 112.042 -174.75 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -128.78 -28.9 0.78 Allowed Glycine 0 CA--C 1.517 0.181 0 C-N-CA 120.253 -0.975 . . . . 0.0 113.404 -176.111 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 80.48 -76.89 2.03 Favored Glycine 0 N--CA 1.447 -0.608 0 N-CA-C 111.127 -0.789 . . . . 0.0 111.127 -178.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -121.74 -17.1 7.52 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 121.17 0.509 . . . . 0.0 110.548 179.46 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 23.1 t -75.18 -11.3 60.05 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.841 -176.473 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -95.06 -16.82 22.38 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.048 -178.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 54' ' ' LEU . . . . . 0.491 HD11 HG11 ' A' ' 88' ' ' VAL . 50.0 mt -53.71 -58.49 12.91 Favored Pre-proline 0 C--N 1.326 -0.437 0 CA-C-N 116.177 -0.465 . . . . 0.0 112.092 -175.747 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 55' ' ' PRO . . . . . 0.437 ' HD2' ' N ' ' B' ' 54' ' ' LEU . 18.4 Cg_endo -60.71 -18.83 57.82 Favored 'Trans proline' 0 C--N 1.353 0.798 0 C-N-CA 122.298 1.999 . . . . 0.0 113.018 -176.267 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 20.1 m -96.46 -34.54 11.46 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.903 0.383 . . . . 0.0 111.208 -178.354 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . 0.413 HG11 ' HB3' ' B' ' 42' ' ' ASN . 73.6 t -82.57 -41.22 17.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.459 -176.125 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 58' ' ' ILE . . . . . 0.556 HG12 ' HG ' ' B' ' 83' ' ' LEU . 65.0 mt -56.76 -41.86 76.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.553 177.756 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 17.7 t -66.65 -41.38 88.33 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.337 -178.365 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 63.1 m-20 -58.66 -49.21 78.39 Favored 'General case' 0 CA--C 1.519 -0.238 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.058 178.647 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . 0.447 ' O ' HG23 ' B' ' 65' ' ' VAL . 41.9 mt -68.67 -44.52 82.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.182 -179.797 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 62' ' ' TYR . . . . . 0.45 ' O ' HG23 ' B' ' 66' ' ' VAL . 57.3 t80 -56.0 -50.44 70.87 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.141 -177.05 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 11.0 t -63.07 -29.96 71.22 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.965 0.412 . . . . 0.0 110.073 -179.354 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -70.22 -36.63 71.21 Favored Glycine 0 N--CA 1.45 -0.399 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.981 179.307 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 65' ' ' VAL . . . . . 0.728 HG12 HG11 ' B' ' 70' ' ' VAL . 59.9 t -76.89 -43.77 32.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 120.704 0.288 . . . . 0.0 111.024 -179.592 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 66' ' ' VAL . . . . . 0.45 HG23 ' O ' ' B' ' 62' ' ' TYR . 87.8 t -61.7 -35.89 70.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.904 0.383 . . . . 0.0 111.415 -178.342 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -70.46 -2.95 15.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.585 179.11 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 38.7 t -92.01 0.16 57.47 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.127 -179.532 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 85.08 25.55 40.21 Favored Glycine 0 N--CA 1.454 -0.14 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.212 177.597 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.728 HG11 HG12 ' B' ' 65' ' ' VAL . 9.1 p -88.1 160.2 2.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 -179.305 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 33.2 t -66.71 141.64 57.69 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 176.318 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 7.8 m -55.45 -46.83 76.74 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.007 0.373 . . . . 0.0 112.007 -174.693 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -76.25 -27.54 56.76 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.949 0.404 . . . . 0.0 110.148 -176.882 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 74' ' ' GLU . . . . . 0.557 ' HA ' ' CE1' ' B' ' 23' ' ' TYR . 40.6 tt0 -74.85 -32.73 61.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.173 179.116 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . 0.492 ' HB2' HG13 ' B' ' 70' ' ' VAL . . . -60.09 -36.67 77.92 Favored 'General case' 0 CA--C 1.518 -0.259 0 CA-C-N 115.513 -0.767 . . . . 0.0 111.193 178.047 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 76' ' ' LEU . . . . . 0.516 HD23 ' HB3' ' B' ' 118' ' ' TYR . 3.1 tm? -55.22 -44.04 75.05 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.033 179.078 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 77' ' ' ILE . . . . . 0.668 ' O ' ' HG ' ' B' ' 81' ' ' LEU . 43.5 mm -66.15 -56.31 15.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.835 -178.394 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 78' ' ' GLN . . . . . 0.484 ' HB2' ' HB1' ' B' ' 26' ' ' ALA . 18.4 tt0 -58.03 -46.99 84.42 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-O 120.553 0.216 . . . . 0.0 111.199 -179.497 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.3 -37.19 82.31 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.988 0.423 . . . . 0.0 110.89 -178.589 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 80' ' ' LEU . . . . . 0.498 ' O ' HD23 ' B' ' 84' ' ' LEU . 5.1 mt -73.25 -39.63 65.29 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.105 178.65 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . 0.668 ' HG ' ' O ' ' B' ' 77' ' ' ILE . 35.5 mt -65.89 -38.48 88.88 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 120.695 0.283 . . . . 0.0 110.674 -179.494 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 82' ' ' GLU . . . . . 0.434 ' OE1' ' HD2' ' B' ' 38' ' ' ARG . 52.5 mt-10 -64.31 -35.19 80.06 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.298 172.228 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 83' ' ' LEU . . . . . 0.556 ' HG ' HG12 ' B' ' 58' ' ' ILE . 3.5 tm? -67.46 -43.87 80.01 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-O 121.231 0.539 . . . . 0.0 109.84 177.701 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 84' ' ' LEU . . . . . 0.498 HD23 ' O ' ' B' ' 80' ' ' LEU . 3.9 mm? -67.08 -10.39 49.5 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.458 -0.792 . . . . 0.0 112.008 -178.503 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 49.7 m -93.13 -30.49 15.23 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 120.965 0.412 . . . . 0.0 110.502 -177.671 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 86' ' ' ALA . . . . . 0.463 ' HB2' HG13 ' B' ' 39' ' ' VAL . . . -69.75 -43.11 72.93 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.924 -177.087 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 87' ' ' LEU . . . . . 0.496 ' HB3' HG21 ' B' ' 46' ' ' ILE . 1.2 pp -81.67 -18.67 43.73 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 112.999 0.74 . . . . 0.0 112.999 -171.651 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 88' ' ' VAL . . . . . 0.464 HG13 HD12 ' B' ' 87' ' ' LEU . 17.9 m -91.48 -20.52 6.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 C-N-CA 120.05 -0.66 . . . . 0.0 110.417 176.002 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 89' ' ' HIS . . . . . . . . . . . . . 79.5 t60 -69.79 -36.61 75.84 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.087 176.75 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 90' ' ' VAL . . . . . 0.429 HG22 ' O ' ' B' ' 87' ' ' LEU . 29.5 m -66.57 -26.9 38.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.854 -174.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 91' ' ' LEU . . . . . 0.611 ' HA ' ' HB3' ' B' ' 94' ' ' ALA . 3.5 mm? -65.82 -20.51 66.27 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.634 0.254 . . . . 0.0 111.217 -179.31 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 33.8 t -63.29 -29.02 70.42 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.024 0.44 . . . . 0.0 110.454 179.324 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . 0.472 ' HB2' HG12 ' A' ' 99' ' ' VAL . 18.2 m -121.81 13.55 10.72 Favored 'General case' 0 N--CA 1.448 -0.534 0 CA-C-O 121.345 0.593 . . . . 0.0 110.563 -179.611 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 94' ' ' ALA . . . . . 0.611 ' HB3' ' HA ' ' B' ' 91' ' ' LEU . . . -107.23 99.15 8.71 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.537 179.243 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 11.1 t -74.6 93.58 2.54 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.186 0.517 . . . . 0.0 109.731 178.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 96' ' ' ILE . . . . . 0.784 HD13 ' HB1' ' A' ' 47' ' ' ALA . 21.3 tt -72.26 149.71 8.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.091 178.814 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 97' ' ' GLY . . . . . . . . . . . . . . . -106.61 -88.44 2.03 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.564 -0.826 . . . . 0.0 112.184 179.773 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 98' ' ' ASN . . . . . . . . . . . . . 6.3 t30 -134.95 115.85 14.03 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.668 0.27 . . . . 0.0 110.612 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 99' ' ' VAL . . . . . 0.67 HG13 HD11 ' B' ' 96' ' ' ILE . 6.0 m -95.57 161.73 2.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.643 177.164 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 100' ' ' SER . . . . . . . . . . . . . 33.2 m -117.47 146.05 43.77 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.466 -178.118 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 16.9 m -87.25 7.1 29.97 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.22 0.534 . . . . 0.0 110.591 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 7.5 p -113.21 128.5 69.96 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.615 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.868 -178.64 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . 109.84 -15.15 31.61 Favored Glycine 0 C--N 1.317 -0.487 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.617 -177.598 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 104' ' ' VAL . . . . . 0.417 ' O ' HD12 ' B' ' 108' ' ' LEU . 38.1 t -59.62 -34.79 56.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 120.921 0.391 . . . . 0.0 109.981 175.341 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -54.91 -43.31 73.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.12 -0.945 . . . . 0.0 109.52 177.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 2.1 m -74.95 -38.74 61.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.122 -0.945 . . . . 0.0 111.13 -178.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 44.8 m -58.96 -36.58 75.07 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-O 121.222 0.534 . . . . 0.0 110.488 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 108' ' ' LEU . . . . . 0.527 ' O ' HG12 ' B' ' 111' ' ' VAL . 1.9 mt -61.5 -24.54 66.67 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.354 -0.839 . . . . 0.0 111.985 179.053 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 109' ' ' ASN . . . . . 0.472 ' N ' HD22 ' B' ' 109' ' ' ASN . 0.9 OUTLIER -72.16 -27.96 62.92 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.957 0.408 . . . . 0.0 110.462 179.423 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 110' ' ' VAL . . . . . . . . . . . . . 22.8 t -83.62 -37.34 13.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.095 -175.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 111' ' ' VAL . . . . . 0.527 HG12 ' O ' ' B' ' 108' ' ' LEU . 10.6 p -60.8 -28.17 42.58 Favored 'Isoleucine or valine' 0 C--O 1.236 0.354 0 CA-C-O 121.371 0.605 . . . . 0.0 110.342 -179.259 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 112' ' ' GLN . . . . . 0.518 ' HG2' HG12 ' A' ' 27' ' ' VAL . 25.3 mt-30 -66.66 -24.99 66.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.394 -0.821 . . . . 0.0 111.022 -179.555 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 113' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -81.68 -35.22 30.12 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.3 0.571 . . . . 0.0 110.562 -175.609 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 6.3 m -74.42 -46.11 42.22 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.485 -0.779 . . . . 0.0 111.533 -172.433 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 115' ' ' VAL . . . . . 0.55 HG11 HD22 ' A' ' 81' ' ' LEU . 13.0 p -109.35 -16.64 8.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-O 121.022 0.439 . . . . 0.0 111.251 -174.621 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 116' ' ' GLY . . . . . 0.419 ' HA3' ' O ' ' B' ' 112' ' ' GLN . . . -64.0 -11.43 44.66 Favored Glycine 0 C--O 1.224 -0.525 0 CA-C-N 115.971 -0.559 . . . . 0.0 113.363 -177.873 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -97.71 1.5 48.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.931 0.366 . . . . 0.0 110.891 178.333 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 118' ' ' TYR . . . . . 0.516 ' HB3' HD23 ' B' ' 76' ' ' LEU . 69.8 m-85 -113.84 -28.92 7.24 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.274 0.559 . . . . 0.0 110.126 177.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 119' ' ' VAL . . . . . . . . . . . . . 34.8 m -92.11 -2.89 10.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.079 177.1 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 120' ' ' GLY . . . . . 0.449 ' HA3' ' HB2' ' A' ' 24' ' ' ALA . . . . . . . . 0 C--O 1.25 1.133 0 CA-C-O 118.492 -1.171 . . . . 0.0 112.217 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.529 0 N-CA-C 111.959 -0.456 . . . . 0.0 111.959 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 20.3 m -92.16 145.24 24.66 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 110.168 -0.308 . . . . 0.0 110.168 178.304 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . 148.08 -144.61 12.56 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.579 -0.82 . . . . 0.0 112.348 178.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' -2' ' ' ASN . . . . . . . . . . . . . 6.9 p30 -136.03 117.01 14.25 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.267 0.556 . . . . 0.0 110.512 -179.518 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 20.0 m -150.42 -66.33 0.2 Allowed 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.791 178.15 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 50.7 t -108.1 124.59 64.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.238 179.693 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 2.1 t -150.5 87.48 1.44 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.559 0.695 . . . . 0.0 110.67 178.411 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 61.3 m -156.79 149.12 23.22 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.174 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 107.25 157.93 20.79 Favored Glycine 0 N--CA 1.445 -0.711 0 C-N-CA 120.853 -0.689 . . . . 0.0 111.98 -179.216 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -86.86 54.65 4.61 Favored Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 121.014 -0.612 . . . . 0.0 112.371 -179.104 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 46.6 p90 -151.83 145.33 24.86 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 110.016 -0.365 . . . . 0.0 110.016 179.278 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 149.76 87.79 0.07 OUTLIER Glycine 0 N--CA 1.447 -0.621 0 C-N-CA 120.709 -0.758 . . . . 0.0 111.699 -179.713 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER 68.99 -66.51 0.25 Allowed 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 123.598 0.759 . . . . 0.0 110.795 -177.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -88.98 73.13 2.18 Favored Glycine 0 N--CA 1.449 -0.47 0 N-CA-C 111.48 -0.648 . . . . 0.0 111.48 176.321 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 21.7 p -82.53 -31.27 29.24 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.353 0.597 . . . . 0.0 111.197 -178.4 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 25.5 m -133.06 160.87 35.91 Favored 'General case' 0 N--CA 1.446 -0.63 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.214 -177.484 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -77.95 48.9 0.75 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.127 0.489 . . . . 0.0 110.954 -179.282 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -119.4 0.64 11.13 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.415 179.706 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -144.89 145.45 31.59 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.988 -179.637 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -165.13 89.26 0.1 Allowed Glycine 0 N--CA 1.443 -0.836 0 C-N-CA 120.349 -0.929 . . . . 0.0 113.157 -177.55 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -175.74 92.58 0.05 Allowed 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 173.258 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 58.21 39.77 92.85 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.583 -0.817 . . . . 0.0 111.762 -172.454 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.427 HG23 ' O ' ' A' ' 22' ' ' SER . 0.2 OUTLIER -73.04 -60.6 2.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 N-CA-C 112.104 0.409 . . . . 0.0 112.104 -174.546 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -106.69 -176.21 3.01 Favored 'General case' 0 C--N 1.321 -0.636 0 C-N-CA 120.936 -0.305 . . . . 0.0 111.065 -177.27 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -95.65 28.61 2.94 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.983 0.421 . . . . 0.0 110.143 177.312 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -179.0 -33.18 0.06 OUTLIER Glycine 0 N--CA 1.448 -0.552 0 C-N-CA 120.865 -0.683 . . . . 0.0 112.333 -178.234 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.507 ' HB3' ' O ' ' B' ' 119' ' ' VAL . 57.9 m -106.5 135.55 47.82 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 111.627 0.232 . . . . 0.0 111.627 179.728 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -153.94 134.75 13.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.044 177.733 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -93.43 -20.17 20.57 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.779 0.323 . . . . 0.0 111.095 176.428 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.08 -30.98 79.3 Favored Glycine 0 CA--C 1.508 -0.344 0 C-N-CA 121.043 -0.599 . . . . 0.0 112.316 -178.121 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.582 ' HB1' ' HB2' ' A' ' 78' ' ' GLN . . . -66.95 -16.41 64.33 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.182 0.515 . . . . 0.0 110.614 177.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.454 HG22 HD11 ' A' ' 81' ' ' LEU . 3.1 t -95.73 -42.04 12.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.863 -175.16 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 37.6 m-80 -66.88 -28.04 68.0 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-O 120.955 0.407 . . . . 0.0 110.981 -176.687 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 78.3 ttt180 -72.67 -12.27 60.96 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.277 -176.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.675 HD11 ' HB3' ' A' ' 81' ' ' LEU . 90.6 mt -65.42 -27.23 68.39 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.794 -176.611 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 15.7 p -74.86 -1.95 24.63 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.16 0.505 . . . . 0.0 111.498 -177.099 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 47.7 t -84.32 159.78 20.84 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.222 177.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.27 -16.93 61.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.046 178.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -54.13 -61.38 2.34 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.765 178.212 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.544 ' O ' HG23 ' A' ' 39' ' ' VAL . . . -61.2 -53.68 53.8 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.593 179.216 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.56 -36.49 34.84 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.163 -0.471 . . . . 0.0 112.162 -176.005 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 47.4 t -71.96 -26.21 62.18 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-O 120.833 0.349 . . . . 0.0 111.415 -178.34 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 93.9 mtt-85 -91.41 -47.9 7.19 Favored 'General case' 0 CA--C 1.514 -0.44 0 CA-C-O 121.8 0.809 . . . . 0.0 108.872 -177.761 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.544 HG23 ' O ' ' A' ' 35' ' ' ALA . 61.9 t -59.22 -35.6 58.65 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-N 114.022 -1.444 . . . . 0.0 111.256 -178.5 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.505 ' HB2' ' HB3' ' B' ' 101' ' ' SER . 78.0 p -73.17 -8.76 57.2 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.813 0.34 . . . . 0.0 111.892 -179.348 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 32.6 t -96.37 -17.59 20.53 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.623 0.725 . . . . 0.0 109.249 175.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.435 ' OD1' HD11 ' A' ' 61' ' ' ILE . 9.5 m120 -87.09 -27.6 23.03 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.267 -0.879 . . . . 0.0 109.549 -176.092 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.497 HG13 ' N ' ' A' ' 44' ' ' ALA . 3.0 pt -59.19 -33.49 50.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.085 -0.962 . . . . 0.0 111.074 179.763 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.497 ' N ' HG13 ' A' ' 43' ' ' ILE . . . -89.9 6.37 42.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.108 0.48 . . . . 0.0 111.105 -178.686 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -109.45 -52.96 2.71 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.163 0.506 . . . . 0.0 110.061 177.507 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.43 ' HA ' ' HB3' ' A' ' 53' ' ' ALA . 64.8 mt -64.53 -35.1 73.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.096 -177.669 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.698 ' HB1' HD13 ' B' ' 96' ' ' ILE . . . -66.59 -11.33 52.85 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 112.124 0.416 . . . . 0.0 112.124 -177.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 32.7 t -104.38 -7.52 19.85 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.468 -177.369 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -134.3 -36.01 0.25 Allowed Glycine 0 N--CA 1.453 -0.179 0 C-N-CA 120.306 -0.95 . . . . 0.0 113.356 -175.795 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 85.33 -77.24 2.11 Favored Glycine 0 N--CA 1.444 -0.795 0 N-CA-C 111.165 -0.774 . . . . 0.0 111.165 -177.35 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -112.75 -22.9 10.46 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 121.089 0.471 . . . . 0.0 110.911 -177.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 8.9 p -74.1 -17.53 60.93 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.169 -177.154 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.43 ' HB3' ' HA ' ' A' ' 46' ' ' ILE . . . -88.73 -16.25 32.7 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.659 -178.761 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.428 ' N ' ' HD2' ' A' ' 55' ' ' PRO . 50.8 mt -54.52 -56.4 27.28 Favored Pre-proline 0 CA--C 1.534 0.347 0 CA-C-N 115.877 -0.602 . . . . 0.0 112.025 -176.169 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.428 ' HD2' ' N ' ' A' ' 54' ' ' LEU . 18.5 Cg_endo -62.7 -28.74 76.77 Favored 'Trans proline' 0 C--N 1.352 0.73 0 C-N-CA 121.899 1.733 . . . . 0.0 112.037 -178.028 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 14.5 m -79.01 -34.06 44.37 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.154 0.502 . . . . 0.0 111.002 -178.087 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.412 HG23 ' O ' ' A' ' 53' ' ' ALA . 76.5 t -86.57 -40.66 14.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.894 -173.631 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.517 HG12 HD22 ' A' ' 83' ' ' LEU . 76.5 mt -56.98 -44.13 82.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.344 176.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 11.8 t -64.43 -35.24 80.27 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.252 -176.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -68.38 -47.19 68.0 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.999 179.752 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.435 HD11 ' OD1' ' A' ' 42' ' ' ASN . 47.5 mt -70.11 -45.02 77.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.346 -179.349 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.512 ' O ' HG23 ' A' ' 66' ' ' VAL . 42.2 t80 -53.87 -53.49 51.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.087 -176.494 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 21.0 t -63.29 -29.43 70.75 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.923 0.392 . . . . 0.0 110.56 -179.048 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -66.64 -43.82 91.16 Favored Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.847 -0.692 . . . . 0.0 111.864 178.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.656 HG12 HG11 ' A' ' 70' ' ' VAL . 29.9 t -71.99 -43.54 67.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-O 120.722 0.296 . . . . 0.0 111.047 -179.71 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.512 HG23 ' O ' ' A' ' 62' ' ' TYR . 94.7 t -57.63 -38.27 63.46 Favored 'Isoleucine or valine' 0 C--O 1.234 0.245 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.299 -178.129 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -66.56 -10.54 46.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.017 -0.538 . . . . 0.0 112.192 -178.406 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 29.2 t -87.54 -9.37 54.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.793 0.33 . . . . 0.0 110.997 -179.635 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 89.56 33.42 9.27 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.522 -0.847 . . . . 0.0 112.085 -179.301 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.656 HG11 HG12 ' A' ' 65' ' ' VAL . 13.5 p -80.99 157.91 4.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 177.695 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 2.0 m -65.42 156.26 32.89 Favored 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 110.433 -0.21 . . . . 0.0 110.433 178.527 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.7 m -54.05 -65.59 0.54 Allowed 'General case' 0 CA--C 1.534 0.329 0 N-CA-C 112.806 0.669 . . . . 0.0 112.806 -172.381 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -73.75 -22.48 59.85 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.321 0.581 . . . . 0.0 109.983 -176.42 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -67.97 -31.93 71.99 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.55 -0.75 . . . . 0.0 109.971 178.661 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.462 ' HB2' HG13 ' A' ' 70' ' ' VAL . . . -61.94 -43.29 99.16 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.837 176.128 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.515 HD23 ' HB3' ' A' ' 118' ' ' TYR . 2.8 tm? -56.76 -50.37 72.49 Favored 'General case' 0 CA--C 1.516 -0.355 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.627 176.681 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.745 ' O ' ' HG ' ' A' ' 81' ' ' LEU . 33.7 mm -59.0 -56.51 16.48 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 115.247 -0.888 . . . . 0.0 111.351 -177.052 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . 0.582 ' HB2' ' HB1' ' A' ' 26' ' ' ALA . 44.2 tt0 -59.09 -46.5 88.13 Favored 'General case' 0 N--CA 1.464 0.265 0 C-N-CA 120.878 -0.329 . . . . 0.0 111.288 -178.713 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -58.57 -38.57 78.16 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.837 -179.156 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.615 ' O ' HD23 ' A' ' 84' ' ' LEU . 3.2 mm? -68.12 -42.26 80.48 Favored 'General case' 0 N--CA 1.448 -0.557 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.656 175.386 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.745 ' HG ' ' O ' ' A' ' 77' ' ' ILE . 77.6 mt -60.43 -45.12 94.78 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.734 0.302 . . . . 0.0 111.309 -179.436 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -62.73 -42.7 99.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.895 0.379 . . . . 0.0 110.382 177.758 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.517 HD22 HG12 ' A' ' 58' ' ' ILE . 41.5 tp -58.82 -44.03 90.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.073 0.463 . . . . 0.0 110.921 176.339 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.615 HD23 ' O ' ' A' ' 80' ' ' LEU . 3.5 mm? -66.39 -5.58 11.35 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.617 -0.72 . . . . 0.0 111.871 -177.648 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.41 ' OG ' HD13 ' B' ' 108' ' ' LEU . 20.0 m -98.37 -30.15 12.74 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.895 0.379 . . . . 0.0 110.553 178.096 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.462 ' HB2' HG13 ' A' ' 39' ' ' VAL . . . -71.75 -48.0 49.85 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.335 0.588 . . . . 0.0 110.762 -176.358 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.48 HD12 ' N ' ' A' ' 88' ' ' VAL . 1.1 pp -74.2 -20.7 60.11 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.405 -0.816 . . . . 0.0 112.753 -172.163 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.509 HG11 HD11 ' B' ' 54' ' ' LEU . 16.4 m -89.86 -22.43 6.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 C-N-CA 120.297 -0.561 . . . . 0.0 110.543 177.215 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 54.7 t60 -70.47 -34.52 72.5 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.266 179.258 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.431 HG22 ' O ' ' A' ' 87' ' ' LEU . 20.3 m -66.18 -27.22 40.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.262 -176.127 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.669 ' HA ' ' HB3' ' A' ' 94' ' ' ALA . 4.1 mm? -62.97 -24.63 67.98 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.971 0.415 . . . . 0.0 110.999 178.787 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 60.2 m -56.9 -34.94 68.41 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.02 179.169 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.656 ' HB2' HG12 ' B' ' 99' ' ' VAL . 19.4 m -108.01 -19.28 13.56 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.629 0.728 . . . . 0.0 110.324 -178.878 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.669 ' HB3' ' HA ' ' A' ' 91' ' ' LEU . . . -76.72 96.33 4.2 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.102 -0.954 . . . . 0.0 111.61 -179.233 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 26.4 t -75.26 89.21 2.55 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.21 -0.663 . . . . 0.0 109.21 174.163 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.734 HD13 ' HB1' ' B' ' 47' ' ' ALA . 20.0 tt -68.55 145.4 13.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.453 -177.458 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -92.73 -109.29 1.84 Allowed Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.889 -0.672 . . . . 0.0 112.157 179.152 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -122.83 117.13 24.92 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.708 0.29 . . . . 0.0 110.286 -179.273 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.569 ' CG1' HD11 ' A' ' 96' ' ' ILE . 5.7 m -97.61 155.47 3.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 120.86 0.362 . . . . 0.0 110.946 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 40.0 m -116.63 148.85 40.59 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.474 -178.371 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 2.5 p -84.91 0.43 51.19 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.317 0.58 . . . . 0.0 111.077 179.289 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 45.9 t -94.01 111.76 25.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.06 -174.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 107.82 1.43 34.34 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.837 -0.697 . . . . 0.0 112.828 176.305 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 47.4 t -57.15 -33.0 41.94 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.106 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 174.721 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -49.37 -42.67 42.82 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.303 -0.862 . . . . 0.0 111.572 177.793 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 25.0 m -72.88 -24.98 60.92 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.02 -177.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 22.3 m -72.12 -35.66 69.2 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 177.631 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.584 ' O ' ' HG3' ' A' ' 112' ' ' GLN . 4.5 mm? -57.93 -31.34 66.73 Favored 'General case' 0 C--O 1.221 -0.437 0 CA-C-N 115.321 -0.854 . . . . 0.0 110.308 174.779 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . 0.477 HD22 ' N ' ' A' ' 109' ' ' ASN . 0.9 OUTLIER -73.36 -26.61 61.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.813 0.339 . . . . 0.0 110.78 -179.086 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 41.4 t -82.63 -37.45 14.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.828 -176.478 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.542 HG12 ' O ' ' A' ' 108' ' ' LEU . 8.5 p -62.93 -25.2 37.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 121.436 0.636 . . . . 0.0 110.511 -179.583 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . 0.584 ' HG3' ' O ' ' A' ' 108' ' ' LEU . 21.8 mt-30 -70.48 -21.16 62.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.977 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -82.8 -34.82 26.89 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.683 -174.63 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 13.4 p -80.44 -47.24 14.64 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.45 -0.796 . . . . 0.0 112.007 -172.119 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.641 HG11 HD22 ' B' ' 81' ' ' LEU . 12.7 p -107.76 -16.05 8.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-O 120.922 0.392 . . . . 0.0 111.507 -171.839 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -61.45 -22.53 61.44 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.854 -0.689 . . . . 0.0 112.663 -178.551 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -92.3 6.84 45.33 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.717 0.294 . . . . 0.0 111.337 -179.165 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . 0.515 ' HB3' HD23 ' A' ' 76' ' ' LEU . 70.2 m-85 -116.08 -32.59 5.32 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-O 120.8 0.333 . . . . 0.0 110.297 175.765 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.404 ' O ' ' HB3' ' B' ' 22' ' ' SER . 35.1 m -84.1 -3.02 7.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.732 176.331 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.512 0 C-N-CA 121.048 -0.596 . . . . 0.0 111.882 179.381 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.387 0 N-CA-C 112.351 -0.3 . . . . 0.0 112.351 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' -4' ' ' SER . . . . . . . . . . . . . 35.9 m -143.28 120.89 11.79 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.881 0.372 . . . . 0.0 110.637 178.563 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' -3' ' ' GLY . . . . . . . . . . . . . . . -136.27 140.17 11.3 Favored Glycine 0 N--CA 1.446 -0.673 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.148 -179.394 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' -2' ' ' ASN . . . . . . . . . . . . . 2.5 p-10 -114.5 108.9 17.47 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.477 0.656 . . . . 0.0 110.84 -179.758 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' -1' ' ' SER . . . . . . . . . . . . . 18.1 m -150.14 162.85 39.63 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.828 178.649 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 12.6 m -95.7 105.49 17.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-O 121.408 0.623 . . . . 0.0 110.87 178.565 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 20.9 p -74.38 129.42 37.74 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.228 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 31.1 p -103.16 127.72 50.36 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.609 178.196 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . 157.58 171.58 23.74 Favored Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 120.971 -0.633 . . . . 0.0 111.737 178.174 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -86.86 47.39 3.7 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.255 -179.66 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 6' ' ' TYR . . . . . . . . . . . . . 52.4 p90 -156.84 175.5 13.98 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 -177.69 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . 154.36 -134.01 4.12 Favored Glycine 0 N--CA 1.448 -0.502 0 N-CA-C 111.366 -0.694 . . . . 0.0 111.366 -179.517 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 39.1 t80 -71.81 -35.11 69.85 Favored 'General case' 0 N--CA 1.446 -0.666 0 CA-C-O 121.064 0.459 . . . . 0.0 110.035 179.065 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -122.66 108.45 1.25 Allowed Glycine 0 N--CA 1.447 -0.578 0 C-N-CA 121.081 -0.58 . . . . 0.0 111.782 176.057 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 32.8 p -96.59 -22.95 16.74 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.001 0.429 . . . . 0.0 110.84 -179.736 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 49.4 m -129.1 171.39 12.44 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.465 -178.599 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -78.44 20.21 0.43 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.949 0.404 . . . . 0.0 111.615 -177.738 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -86.78 -28.74 22.8 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.248 0.547 . . . . 0.0 110.36 177.753 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -112.79 135.04 53.99 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.576 -178.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . -149.45 55.48 0.48 Allowed Glycine 0 C--O 1.221 -0.671 0 C-N-CA 120.581 -0.819 . . . . 0.0 112.482 -179.412 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 16' ' ' ALA . . . . . 0.561 ' H ' HG13 ' B' ' 18' ' ' VAL . . . -159.3 109.48 1.95 Allowed 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 -179.296 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 56.57 35.92 68.84 Favored Glycine 0 CA--C 1.518 0.244 0 C-N-CA 120.793 -0.718 . . . . 0.0 111.911 -175.214 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . 0.561 HG13 ' H ' ' B' ' 16' ' ' ALA . 3.3 m -84.62 -21.72 8.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 N-CA-C 112.301 0.482 . . . . 0.0 112.301 -173.86 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -148.56 -173.04 4.23 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.387 176.622 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -100.65 -7.29 24.06 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.827 0.346 . . . . 0.0 110.857 178.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -149.53 21.29 1.18 Allowed Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.946 -0.645 . . . . 0.0 111.983 176.424 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 22' ' ' SER . . . . . 0.404 ' HB3' ' O ' ' A' ' 119' ' ' VAL . 34.6 m -151.71 124.38 8.45 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-O 120.675 0.274 . . . . 0.0 111.24 179.743 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -153.33 129.18 10.19 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 108.503 -0.925 . . . . 0.0 108.503 177.107 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -80.56 -27.03 37.64 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 120.751 0.31 . . . . 0.0 111.485 -178.065 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.15 -28.34 73.43 Favored Glycine 0 CA--C 1.512 -0.136 0 C-N-CA 121.105 -0.569 . . . . 0.0 112.561 -179.4 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 26' ' ' ALA . . . . . 0.424 ' HB1' ' HB2' ' B' ' 78' ' ' GLN . . . -68.77 -17.94 64.12 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.598 0.714 . . . . 0.0 109.749 177.7 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . 0.538 HG12 ' HG2' ' A' ' 112' ' ' GLN . 2.5 t -92.68 -38.05 9.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-N 114.859 -1.064 . . . . 0.0 109.693 177.833 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 76.2 m-20 -75.18 -15.58 60.56 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.097 -174.236 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 77.7 ttt180 -82.34 -11.31 58.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.321 0.582 . . . . 0.0 110.222 178.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . 0.562 ' HB3' HD12 ' A' ' 108' ' ' LEU . 97.6 mt -66.66 -26.39 67.03 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.63 -176.383 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 5.2 p -77.14 -0.4 24.77 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.548 -178.238 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 8.5 t -82.58 161.85 22.13 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.816 -0.439 . . . . 0.0 109.816 179.356 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.11 -15.68 63.3 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.811 0.339 . . . . 0.0 110.798 178.601 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -57.89 -66.37 0.49 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.714 179.151 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 35' ' ' ALA . . . . . 0.501 ' O ' HG23 ' B' ' 39' ' ' VAL . . . -55.9 -50.7 69.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.071 179.745 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -56.88 -20.57 23.82 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.332 0.493 . . . . 0.0 112.332 -177.385 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 44.7 t -85.95 -27.45 24.9 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.779 0.323 . . . . 0.0 111.325 178.768 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 38' ' ' ARG . . . . . 0.603 ' NH1' ' HA ' ' B' ' 61' ' ' ILE . 13.4 mtp180 -95.61 -45.1 7.19 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 -176.191 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . 0.503 HG13 ' HB2' ' B' ' 86' ' ' ALA . 59.6 t -59.36 -34.87 55.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 114.875 -1.057 . . . . 0.0 110.989 179.752 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 33.1 p -72.75 -11.77 60.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.372 179.167 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 47.0 t -91.62 -17.03 26.16 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.701 0.763 . . . . 0.0 109.445 176.194 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 42' ' ' ASN . . . . . 0.427 ' OD1' HD11 ' B' ' 61' ' ' ILE . 10.6 m120 -92.93 -26.51 17.56 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.174 -0.921 . . . . 0.0 110.058 -174.598 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 43' ' ' ILE . . . . . 0.534 HG13 ' N ' ' B' ' 44' ' ' ALA . 3.9 pt -56.41 -40.42 67.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.478 -0.783 . . . . 0.0 111.604 -177.736 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . 0.534 ' N ' HG13 ' B' ' 43' ' ' ILE . . . -79.39 -12.49 59.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.982 0.42 . . . . 0.0 111.159 -176.217 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -90.38 -51.27 5.51 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.234 0.54 . . . . 0.0 110.495 -178.047 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 46' ' ' ILE . . . . . 0.467 HG21 ' HB3' ' B' ' 87' ' ' LEU . 47.7 mt -68.22 -32.49 56.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.725 -178.215 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . 0.734 ' HB1' HD13 ' A' ' 96' ' ' ILE . . . -64.43 -19.69 65.69 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.303 179.58 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 33.7 t -100.45 -47.21 4.97 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.825 -178.095 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -84.22 -24.77 46.57 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.814 -0.708 . . . . 0.0 113.3 -176.451 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 75.83 -74.85 1.54 Allowed Glycine 0 N--CA 1.45 -0.378 0 N-CA-C 111.554 -0.618 . . . . 0.0 111.554 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -122.23 -23.05 5.4 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.09 0.471 . . . . 0.0 110.426 179.16 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 15.2 m -72.52 -10.34 59.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.947 -178.103 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -91.81 -17.01 25.97 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.649 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 54' ' ' LEU . . . . . 0.509 HD11 HG11 ' A' ' 88' ' ' VAL . 50.8 mt -55.67 -58.51 15.31 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 115.904 -0.589 . . . . 0.0 112.282 -176.152 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 55' ' ' PRO . . . . . 0.423 ' HD2' ' N ' ' B' ' 54' ' ' LEU . 18.2 Cg_endo -60.72 -21.57 70.13 Favored 'Trans proline' 0 C--N 1.353 0.767 0 C-N-CA 122.242 1.961 . . . . 0.0 112.436 -176.489 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 14.8 m -89.04 -44.58 10.27 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.049 0.452 . . . . 0.0 110.905 -179.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 78.8 t -74.89 -37.45 41.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.406 -173.55 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 58' ' ' ILE . . . . . 0.577 HG12 HD22 ' B' ' 83' ' ' LEU . 46.7 mt -57.09 -44.1 82.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.241 175.783 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 5.1 t -68.92 -38.58 79.64 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.988 -177.13 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -60.83 -48.68 80.72 Favored 'General case' 0 CA--C 1.52 -0.21 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.703 178.78 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . 0.603 ' HA ' ' NH1' ' B' ' 38' ' ' ARG . 41.4 mt -69.24 -45.37 79.47 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.957 179.107 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 62' ' ' TYR . . . . . 0.491 ' O ' HG23 ' B' ' 66' ' ' VAL . 48.5 t80 -55.41 -55.64 29.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.081 -177.709 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 33.6 t -60.68 -31.66 70.91 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-O 121.093 0.473 . . . . 0.0 110.312 -179.484 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . 0.48 ' HA3' ' NH1' ' B' ' 38' ' ' ARG . . . -65.75 -45.14 90.45 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.839 -0.696 . . . . 0.0 111.936 178.283 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 65' ' ' VAL . . . . . 0.707 HG12 HG11 ' B' ' 70' ' ' VAL . 41.4 t -70.81 -44.14 76.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.76 0.314 . . . . 0.0 110.836 -179.303 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 66' ' ' VAL . . . . . 0.491 HG23 ' O ' ' B' ' 62' ' ' TYR . 93.0 t -57.22 -37.05 54.14 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.328 0 CA-C-O 120.901 0.381 . . . . 0.0 110.961 -179.761 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.07 -7.24 11.25 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 115.941 -0.572 . . . . 0.0 112.238 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 44.6 t -93.17 -2.55 55.17 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.555 0.217 . . . . 0.0 111.513 -178.635 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 83.82 26.99 39.58 Favored Glycine 0 N--CA 1.453 -0.174 0 C-N-CA 120.415 -0.898 . . . . 0.0 111.902 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.707 HG11 HG12 ' B' ' 65' ' ' VAL . 13.8 p -78.58 158.74 4.8 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-N 115.372 -0.414 . . . . 0.0 109.905 179.139 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 1.5 m -68.04 152.55 45.34 Favored 'General case' 0 N--CA 1.448 -0.526 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 178.174 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 24.9 m -49.54 -68.07 0.21 Allowed 'General case' 0 N--CA 1.468 0.469 0 N-CA-C 113.649 0.981 . . . . 0.0 113.649 -171.287 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 47.9 t30 -81.37 -11.69 59.21 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.118 -0.633 . . . . 0.0 110.495 -175.394 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -69.02 -33.42 73.6 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.733 -0.84 . . . . 0.0 108.733 173.023 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . 0.491 ' HB2' HG13 ' B' ' 70' ' ' VAL . . . -62.54 -42.12 99.32 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 114.851 -1.068 . . . . 0.0 110.237 173.886 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 76' ' ' LEU . . . . . 0.533 HD23 ' HB3' ' B' ' 118' ' ' TYR . 2.8 tm? -53.93 -54.67 35.55 Favored 'General case' 0 CA--C 1.518 -0.277 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.567 177.656 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 77' ' ' ILE . . . . . 0.701 ' O ' ' HG ' ' B' ' 81' ' ' LEU . 37.2 mm -59.33 -55.71 21.86 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 115.336 -0.847 . . . . 0.0 111.563 -177.292 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 78' ' ' GLN . . . . . 0.424 ' HB2' ' HB1' ' B' ' 26' ' ' ALA . 48.6 tt0 -57.89 -48.78 78.84 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 120.826 -0.35 . . . . 0.0 110.931 -178.22 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.2 -38.89 84.67 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.809 -178.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 80' ' ' LEU . . . . . 0.613 ' O ' HD23 ' B' ' 84' ' ' LEU . 2.8 mm? -65.41 -41.75 93.3 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.769 175.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . 0.701 ' HG ' ' O ' ' B' ' 77' ' ' ILE . 37.6 mt -68.73 -39.21 80.5 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.601 0.238 . . . . 0.0 111.15 -177.797 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -59.55 -45.6 91.32 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 173.12 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 83' ' ' LEU . . . . . 0.577 HD22 HG12 ' B' ' 58' ' ' ILE . 35.2 tp -58.17 -46.58 85.48 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.398 176.374 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 84' ' ' LEU . . . . . 0.613 HD23 ' O ' ' B' ' 80' ' ' LEU . 3.6 mm? -65.85 -3.73 5.57 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.979 -176.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 85' ' ' SER . . . . . 0.443 ' OG ' HD13 ' A' ' 108' ' ' LEU . 22.8 m -101.73 -27.27 13.14 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.903 0.382 . . . . 0.0 110.57 177.744 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 86' ' ' ALA . . . . . 0.503 ' HB2' HG13 ' B' ' 39' ' ' VAL . . . -72.16 -45.86 58.74 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-O 121.501 0.667 . . . . 0.0 110.587 -177.221 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 87' ' ' LEU . . . . . 0.509 HD12 HG13 ' B' ' 88' ' ' VAL . 1.0 OUTLIER -80.16 -14.02 58.79 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.152 -0.931 . . . . 0.0 112.663 -172.043 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 88' ' ' VAL . . . . . 0.509 HG13 HD12 ' B' ' 87' ' ' LEU . 20.6 m -96.26 -23.57 4.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 C-N-CA 120.459 -0.496 . . . . 0.0 110.882 177.128 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 89' ' ' HIS . . . . . . . . . . . . . 50.6 t60 -68.54 -35.38 77.36 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.86 -0.422 . . . . 0.0 109.86 177.571 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 90' ' ' VAL . . . . . . . . . . . . . 32.9 m -64.6 -26.16 39.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.436 -176.038 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 91' ' ' LEU . . . . . 0.622 ' HA ' ' HB3' ' B' ' 94' ' ' ALA . 3.5 mm? -65.84 -22.85 66.57 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.565 -0.289 . . . . 0.0 111.182 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 33.1 t -61.94 -28.05 69.26 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-O 121.085 0.469 . . . . 0.0 110.666 179.184 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . 0.516 ' HB2' HG12 ' A' ' 99' ' ' VAL . 25.7 m -121.87 13.48 10.66 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-O 121.246 0.546 . . . . 0.0 110.557 -179.811 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 94' ' ' ALA . . . . . 0.622 ' HB3' ' HA ' ' B' ' 91' ' ' LEU . . . -107.73 97.53 7.24 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-N 115.784 -0.643 . . . . 0.0 110.423 179.209 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 22.8 t -73.46 90.05 1.69 Allowed 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 178.302 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 96' ' ' ILE . . . . . 0.698 HD13 ' HB1' ' A' ' 47' ' ' ALA . 20.9 tt -74.1 141.94 15.46 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.679 179.644 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 97' ' ' GLY . . . . . . . . . . . . . . . -88.85 -116.02 1.4 Allowed Glycine 0 N--CA 1.447 -0.569 0 C-N-CA 120.589 -0.815 . . . . 0.0 112.082 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 98' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -119.92 98.54 6.14 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 120.991 0.424 . . . . 0.0 109.894 -178.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 99' ' ' VAL . . . . . 0.656 HG12 ' HB2' ' A' ' 93' ' ' SER . 13.7 m -76.2 164.43 3.55 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.487 177.442 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 100' ' ' SER . . . . . 0.408 ' C ' ' H ' ' B' ' 102' ' ' VAL . 28.7 m -138.39 149.48 45.58 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.177 -178.567 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 101' ' ' SER . . . . . 0.505 ' HB3' ' HB2' ' A' ' 40' ' ' SER . 41.0 m -76.25 29.12 0.12 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.371 -177.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 102' ' ' VAL . . . . . 0.408 ' H ' ' C ' ' B' ' 100' ' ' SER . 60.3 t -108.28 108.98 26.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.75 -175.852 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . 107.49 -0.89 34.61 Favored Glycine 0 N--CA 1.446 -0.695 0 C-N-CA 120.55 -0.833 . . . . 0.0 112.852 176.022 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 104' ' ' VAL . . . . . 0.401 ' O ' HD23 ' B' ' 108' ' ' LEU . 21.5 t -60.21 -36.64 69.56 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.231 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 178.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -50.77 -38.44 48.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.446 -0.797 . . . . 0.0 111.074 179.655 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 14.6 m -75.0 -29.98 61.02 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.034 -178.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 13.1 m -67.42 -34.78 77.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.187 0.518 . . . . 0.0 109.889 -179.452 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 108' ' ' LEU . . . . . 0.553 HD12 ' HB3' ' A' ' 30' ' ' LEU . 4.6 mm? -58.82 -28.14 65.75 Favored 'General case' 0 C--O 1.223 -0.341 0 CA-C-N 115.301 -0.863 . . . . 0.0 110.944 176.659 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 109' ' ' ASN . . . . . 0.494 ' N ' HD22 ' B' ' 109' ' ' ASN . 0.8 OUTLIER -74.66 -24.53 58.83 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.031 0.443 . . . . 0.0 110.448 -178.069 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 110' ' ' VAL . . . . . . . . . . . . . 40.5 t -84.81 -40.78 15.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.987 -176.307 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 111' ' ' VAL . . . . . 0.478 HG12 ' O ' ' B' ' 108' ' ' LEU . 10.8 p -59.8 -28.11 39.84 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.367 0 CA-C-O 121.35 0.595 . . . . 0.0 110.932 -178.029 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 112' ' ' GLN . . . . . 0.446 ' HG3' ' O ' ' B' ' 108' ' ' LEU . 26.0 mt-30 -69.99 -23.97 63.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.056 -178.226 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 113' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -87.35 -25.58 23.8 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.738 -170.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 114' ' ' SER . . . . . 0.478 ' HB2' HD12 ' B' ' 58' ' ' ILE . 13.5 p -87.98 -43.56 11.66 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.857 -0.611 . . . . 0.0 112.186 -173.784 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 115' ' ' VAL . . . . . . . . . . . . . 13.1 p -108.63 -17.8 7.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-O 120.84 0.352 . . . . 0.0 111.385 -174.261 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 116' ' ' GLY . . . . . . . . . . . . . . . -61.8 -19.46 58.56 Favored Glycine 0 C--O 1.228 -0.276 0 C-N-CA 120.903 -0.665 . . . . 0.0 112.75 -178.576 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -97.53 12.13 34.49 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.747 0.308 . . . . 0.0 111.057 179.859 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 118' ' ' TYR . . . . . 0.533 ' HB3' HD23 ' B' ' 76' ' ' LEU . 64.4 m-85 -121.64 -26.66 4.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.97 0.414 . . . . 0.0 110.489 176.004 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 119' ' ' VAL . . . . . 0.507 ' O ' ' HB3' ' A' ' 22' ' ' SER . 29.8 m -84.34 -2.49 7.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.863 174.591 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.017 0 CA-C-O 118.123 -1.376 . . . . 0.0 110.52 177.1 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.664 0 N-CA-C 112.025 -0.43 . . . . 0.0 112.025 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 9.4 m -69.91 141.84 53.06 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.769 0.319 . . . . 0.0 110.666 -179.21 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . -168.36 150.26 15.82 Favored Glycine 0 N--CA 1.446 -0.66 0 C-N-CA 120.605 -0.807 . . . . 0.0 112.12 179.373 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' -2' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -83.31 63.88 7.48 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.201 0.524 . . . . 0.0 110.18 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 41.3 m -152.67 133.43 13.95 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.583 179.451 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 31.6 m -94.61 138.92 19.57 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-O 121.222 0.534 . . . . 0.0 111.547 -176.077 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 31.1 p -137.12 172.72 12.59 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.415 -0.811 . . . . 0.0 109.69 176.065 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.3 p -128.34 65.1 1.4 Allowed 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.08 0.467 . . . . 0.0 110.595 177.509 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 156.13 -152.92 24.31 Favored Glycine 0 N--CA 1.447 -0.569 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.174 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 123.07 174.51 14.31 Favored Glycine 0 N--CA 1.445 -0.726 0 C-N-CA 120.92 -0.657 . . . . 0.0 111.686 -179.253 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.51 ' O ' ' HB ' ' A' ' 10' ' ' THR . 30.7 p90 -68.46 -13.0 62.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.989 0.394 . . . . 0.0 111.184 -179.43 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -93.03 -7.14 62.73 Favored Glycine 0 N--CA 1.448 -0.519 0 C-N-CA 120.676 -0.773 . . . . 0.0 111.616 175.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 83.9 m-85 -133.9 54.08 1.97 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.959 0.409 . . . . 0.0 110.429 -179.326 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 119.17 58.24 0.26 Allowed Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 120.892 -0.67 . . . . 0.0 112.54 178.016 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.51 ' HB ' ' O ' ' A' ' 6' ' ' TYR . 8.9 t -84.46 -24.05 29.66 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.753 0.311 . . . . 0.0 111.205 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 49.9 m -155.31 160.97 41.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.685 0.278 . . . . 0.0 110.626 -178.129 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -96.67 172.57 7.82 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.916 -0.583 . . . . 0.0 109.841 175.692 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 58.15 28.26 16.21 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 121.179 0.514 . . . . 0.0 111.348 -178.648 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -122.83 166.58 14.76 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.023 -179.582 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -155.41 -173.09 23.69 Favored Glycine 0 N--CA 1.446 -0.651 0 C-N-CA 120.592 -0.813 . . . . 0.0 112.018 -178.658 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.408 ' HA ' ' OE2' ' A' ' 74' ' ' GLU . . . 62.98 89.57 0.09 Allowed 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 121.392 0.615 . . . . 0.0 111.164 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 67.16 48.31 59.9 Favored Glycine 0 N--CA 1.453 -0.193 0 CA-C-N 115.437 -0.802 . . . . 0.0 112.62 -177.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.485 ' CG2' ' HA ' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -87.16 -36.65 10.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 120.613 0.244 . . . . 0.0 111.572 178.458 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -141.09 -174.29 3.96 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.486 -0.324 . . . . 0.0 110.729 -178.167 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -100.14 36.43 1.85 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.988 0.423 . . . . 0.0 110.501 179.241 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.456 ' HA3' ' HA3' ' B' ' 21' ' ' GLY . . . 176.84 -41.96 0.1 Allowed Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 120.593 -0.813 . . . . 0.0 113.103 -177.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.451 ' HB3' ' O ' ' B' ' 119' ' ' VAL . 27.0 m -108.12 138.48 44.32 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.684 0.278 . . . . 0.0 111.518 -178.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.485 ' HA ' ' CG2' ' A' ' 18' ' ' VAL . 0.7 OUTLIER -152.43 127.04 9.42 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.116 179.599 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -86.04 -26.29 25.43 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 120.844 0.354 . . . . 0.0 110.911 176.528 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.67 -28.04 67.3 Favored Glycine 0 C--N 1.332 0.319 0 C-N-CA 120.864 -0.684 . . . . 0.0 112.534 -179.582 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.442 ' HB1' ' HB2' ' A' ' 78' ' ' GLN . . . -80.25 8.42 7.43 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.126 0.489 . . . . 0.0 111.107 179.391 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.501 HG22 ' CD1' ' A' ' 81' ' ' LEU . 3.4 t -116.7 -44.17 3.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.871 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 27.1 m-80 -64.9 -23.78 67.33 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-O 120.942 0.401 . . . . 0.0 111.37 -175.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 15.5 ptm180 -86.43 5.44 35.09 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.426 -177.53 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.4 HD11 ' HB3' ' A' ' 81' ' ' LEU . 96.1 mt -75.07 -25.44 58.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.818 0.342 . . . . 0.0 110.692 178.815 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 14.6 p -78.83 -1.2 33.79 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.191 0.52 . . . . 0.0 110.81 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 35.0 t -87.89 170.55 11.06 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.656 177.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.34 -15.38 62.5 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.827 -179.428 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -53.08 -66.0 0.46 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.7 179.529 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.513 ' O ' HG23 ' A' ' 39' ' ' VAL . . . -67.69 -47.15 70.25 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.099 -178.771 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -55.82 -26.13 44.98 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.885 -175.442 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 23.0 t -86.22 -20.01 29.15 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 111.988 0.366 . . . . 0.0 111.988 179.633 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.485 ' HD2' ' OE1' ' A' ' 82' ' ' GLU . 68.6 mtt180 -98.02 -46.8 5.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.735 0.779 . . . . 0.0 109.504 -178.137 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.516 HG21 HD21 ' B' ' 108' ' ' LEU . 59.9 t -59.28 -43.87 90.88 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-N 114.383 -1.28 . . . . 0.0 111.324 -178.454 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.472 ' O ' HG12 ' A' ' 43' ' ' ILE . 77.7 p -69.63 -18.49 63.6 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.335 -176.598 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 41.7 t -84.41 -8.78 58.86 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.956 0.408 . . . . 0.0 110.545 -179.039 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 44.0 m-80 -122.54 -1.79 9.01 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.275 -174.488 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.515 HG13 ' N ' ' A' ' 44' ' ' ALA . 5.2 pt -62.19 -40.54 88.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.943 0.401 . . . . 0.0 110.67 177.868 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.515 ' N ' HG13 ' A' ' 43' ' ' ILE . . . -80.28 -6.65 58.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.202 0.525 . . . . 0.0 110.724 -177.636 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -86.97 -51.76 5.84 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.079 178.2 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.446 HG21 ' HB3' ' A' ' 87' ' ' LEU . 48.7 mt -65.33 -34.69 72.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.465 179.359 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.666 ' HB1' HD13 ' B' ' 96' ' ' ILE . . . -63.53 -16.43 60.72 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.261 178.645 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 35.5 t -108.21 -2.64 19.19 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.258 -176.376 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -132.86 -27.37 0.59 Allowed Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.017 -1.087 . . . . 0.0 113.799 -176.438 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 73.3 -78.09 0.84 Allowed Glycine 0 N--CA 1.447 -0.588 0 N-CA-C 111.447 -0.661 . . . . 0.0 111.447 -178.248 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -119.77 -21.07 7.38 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-O 120.993 0.425 . . . . 0.0 110.34 178.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 17.9 m -74.28 -10.04 59.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.547 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.412 ' HB3' ' HA ' ' A' ' 46' ' ' ILE . . . -95.42 -14.95 23.36 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.947 179.654 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.423 HD11 HG11 ' B' ' 88' ' ' VAL . 53.1 mt -56.21 -58.61 15.5 Favored Pre-proline 0 C--N 1.326 -0.439 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.888 -176.435 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.4 ' HD3' ' HB2' ' A' ' 54' ' ' LEU . 28.0 Cg_endo -63.81 -21.88 69.3 Favored 'Trans proline' 0 C--N 1.35 0.627 0 C-N-CA 121.84 1.693 . . . . 0.0 112.39 -177.532 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 15.4 m -82.34 -41.61 19.81 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 120.896 0.379 . . . . 0.0 110.449 179.02 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 78.2 t -83.56 -40.1 15.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.134 -173.664 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.557 HG12 ' HG ' ' A' ' 83' ' ' LEU . 49.7 mt -58.71 -43.8 88.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-O 121.021 0.439 . . . . 0.0 110.406 177.77 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 58.1 m -69.03 -28.33 66.46 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.751 -179.613 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 92.4 m-20 -64.36 -59.25 4.6 Favored 'General case' 0 CA--C 1.517 -0.315 0 CA-C-O 121.396 0.617 . . . . 0.0 110.453 174.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.486 ' O ' HG23 ' A' ' 65' ' ' VAL . 48.1 mt -65.46 -43.63 94.46 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 115.262 -0.881 . . . . 0.0 111.261 -175.709 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.439 ' O ' HG23 ' A' ' 66' ' ' VAL . 55.5 t80 -55.75 -52.33 64.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.51 -0.314 . . . . 0.0 110.523 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 18.4 t -62.96 -30.24 71.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.228 -179.697 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -65.81 -43.69 93.52 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 121.051 -0.595 . . . . 0.0 112.126 178.77 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.724 HG12 HG11 ' A' ' 70' ' ' VAL . 20.6 t -74.94 -42.32 46.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 120.723 0.297 . . . . 0.0 110.934 -179.248 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.508 ' HA ' HG12 ' A' ' 70' ' ' VAL . 75.1 t -58.7 -37.86 68.29 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.258 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.923 -179.457 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.8 -14.84 56.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.699 179.514 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 9.3 t -88.44 -3.45 58.82 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.608 -0.269 . . . . 0.0 110.955 -178.706 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 88.18 31.54 14.1 Favored Glycine 0 C--N 1.33 0.223 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.711 177.716 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.724 HG11 HG12 ' A' ' 65' ' ' VAL . 8.9 p -87.38 161.65 2.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 N-CA-C 110.231 -0.285 . . . . 0.0 110.231 178.412 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 44.5 t -70.29 156.36 39.38 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 110.399 -0.223 . . . . 0.0 110.399 176.24 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 12.5 m -60.1 -58.78 7.07 Favored 'General case' 0 CA--C 1.533 0.303 0 N-CA-C 112.149 0.426 . . . . 0.0 112.149 -174.743 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -70.25 -30.03 66.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.97 0.414 . . . . 0.0 110.003 -176.345 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.408 ' OE2' ' HA ' ' A' ' 16' ' ' ALA . 33.0 tt0 -68.58 -35.74 77.78 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.111 -0.495 . . . . 0.0 109.988 177.476 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.538 ' HB2' HG13 ' A' ' 70' ' ' VAL . . . -62.95 -41.67 99.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.477 175.437 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.458 HD23 ' HB3' ' A' ' 118' ' ' TYR . 3.0 tm? -56.69 -46.11 81.36 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.909 178.345 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.672 ' O ' ' HG ' ' A' ' 81' ' ' LEU . 44.4 mm -65.16 -57.14 12.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.672 179.78 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . 0.466 ' HG2' HG11 ' A' ' 65' ' ' VAL . 37.4 tp60 -51.81 -51.59 55.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.078 179.064 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.32 -38.6 91.61 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.514 -176.722 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.451 ' O ' HD23 ' A' ' 84' ' ' LEU . 7.7 mt -70.02 -39.86 75.56 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.658 -0.417 . . . . 0.0 111.175 179.814 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.707 HD22 HG11 ' B' ' 115' ' ' VAL . 15.5 mt -65.16 -37.77 88.43 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 120.986 0.422 . . . . 0.0 109.917 179.672 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.485 ' OE1' ' HD2' ' A' ' 38' ' ' ARG . 45.4 mt-10 -64.21 -41.94 96.83 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.346 171.349 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.557 ' HG ' HG12 ' A' ' 58' ' ' ILE . 3.5 tm? -62.44 -45.54 92.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.319 -179.173 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.451 HD23 ' O ' ' A' ' 80' ' ' LEU . 4.6 mm? -72.61 -2.53 20.33 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.645 -177.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 57.8 m -94.9 -35.29 12.09 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.982 0.42 . . . . 0.0 110.381 176.597 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.443 ' HB2' HG13 ' A' ' 39' ' ' VAL . . . -64.43 -45.17 88.67 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.849 -176.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.469 HD12 HG13 ' A' ' 88' ' ' VAL . 1.2 pp -80.23 -17.78 51.32 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 113.073 0.768 . . . . 0.0 113.073 -171.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.469 HG13 HD12 ' A' ' 87' ' ' LEU . 17.5 m -92.83 -22.07 5.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 C-N-CA 120.248 -0.581 . . . . 0.0 110.791 176.677 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 81.9 t60 -68.2 -37.48 80.93 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.036 176.335 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.521 ' HB ' ' CD1' ' B' ' 96' ' ' ILE . 25.6 m -64.56 -26.88 41.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.614 -174.41 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.641 ' HA ' ' HB3' ' A' ' 94' ' ' ALA . 3.5 mm? -64.75 -19.7 65.94 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.097 179.437 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 23.1 t -60.78 -27.1 67.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.089 179.583 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 10.0 t -127.12 10.3 6.88 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.257 0.551 . . . . 0.0 110.237 179.406 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.641 ' HB3' ' HA ' ' A' ' 91' ' ' LEU . . . -101.09 98.02 8.51 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.235 179.63 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 8.1 t -77.5 88.25 3.84 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.216 0.531 . . . . 0.0 109.847 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.718 HD13 ' HB1' ' B' ' 47' ' ' ALA . 18.5 tt -65.97 149.64 11.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.744 -177.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -97.24 -118.16 3.66 Favored Glycine 0 N--CA 1.446 -0.638 0 C-N-CA 120.968 -0.634 . . . . 0.0 111.808 176.103 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -104.0 129.4 51.6 Favored 'General case' 0 C--N 1.321 -0.635 0 O-C-N 122.764 -0.257 . . . . 0.0 110.494 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.434 ' CG1' HD11 ' A' ' 96' ' ' ILE . 2.4 m -125.36 121.95 61.65 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-O 120.947 0.403 . . . . 0.0 110.754 175.137 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 49.8 m -103.3 166.59 10.34 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.858 -179.046 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . 0.404 ' CB ' ' HB2' ' B' ' 40' ' ' SER . 5.7 p -77.47 -11.64 59.87 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.957 -0.565 . . . . 0.0 112.075 -175.75 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 3.5 p -75.65 101.96 2.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-O 121.468 0.651 . . . . 0.0 111.363 -175.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 128.21 -14.85 6.19 Favored Glycine 0 N--CA 1.449 -0.451 0 CA-C-N 115.638 -0.71 . . . . 0.0 113.043 176.022 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.444 ' O ' HD12 ' A' ' 108' ' ' LEU . 23.3 t -58.31 -34.46 50.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.958 0.409 . . . . 0.0 110.018 177.635 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -56.05 -41.59 75.27 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.224 -0.898 . . . . 0.0 110.16 178.58 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 35.1 m -77.03 -39.05 51.57 Favored 'General case' 0 CA--C 1.529 0.138 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.632 -179.417 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 29.2 m -58.07 -35.82 71.92 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 121.237 0.542 . . . . 0.0 110.653 179.573 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.536 ' O ' HG12 ' A' ' 111' ' ' VAL . 1.6 mt -61.18 -24.58 66.42 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.451 -0.795 . . . . 0.0 111.916 178.32 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . 0.49 HD22 ' N ' ' A' ' 109' ' ' ASN . 0.8 OUTLIER -72.07 -26.71 62.27 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.985 0.421 . . . . 0.0 110.373 179.275 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 23.0 t -84.79 -37.36 12.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.065 -176.094 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.536 HG12 ' O ' ' A' ' 108' ' ' LEU . 7.3 p -59.93 -29.2 42.78 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.237 0 CA-C-O 121.369 0.604 . . . . 0.0 110.399 -179.718 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . 0.487 ' HG3' ' O ' ' A' ' 108' ' ' LEU . 24.9 mt-30 -66.1 -21.7 66.37 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.413 -0.812 . . . . 0.0 111.056 -179.346 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -82.49 -37.48 25.25 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.58 -176.065 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 5.3 m -79.7 -41.88 25.85 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.29 -0.868 . . . . 0.0 111.887 -170.708 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.421 HG12 ' O ' ' A' ' 111' ' ' VAL . 8.2 p -110.98 -19.99 6.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-O 120.935 0.398 . . . . 0.0 111.647 -174.039 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -64.24 -16.39 60.13 Favored Glycine 0 CA--C 1.517 0.205 0 C-N-CA 121.223 -0.513 . . . . 0.0 113.12 -177.102 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.46 2.31 54.4 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.597 0.237 . . . . 0.0 111.161 179.493 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . 0.458 ' HB3' HD23 ' A' ' 76' ' ' LEU . 74.2 m-85 -111.15 -29.67 7.77 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.997 0.427 . . . . 0.0 110.614 177.004 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.414 HG21 HG21 ' B' ' 27' ' ' VAL . 32.0 m -84.86 -4.36 8.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.696 177.183 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.434 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.739 179.188 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.524 0 N-CA-C 112.107 -0.397 . . . . 0.0 112.107 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' -4' ' ' SER . . . . . . . . . . . . . 57.6 m -150.18 99.38 2.8 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.056 0.455 . . . . 0.0 111.071 179.239 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' -3' ' ' GLY . . . . . . . . . . . . . . . -97.8 80.68 0.64 Allowed Glycine 0 N--CA 1.443 -0.869 0 N-CA-C 110.38 -1.088 . . . . 0.0 110.38 173.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' -2' ' ' ASN . . . . . . . . . . . . . 17.7 m120 -70.53 87.6 0.66 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.308 0.575 . . . . 0.0 111.616 -172.518 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' -1' ' ' SER . . . . . . . . . . . . . 47.6 m -133.39 122.7 24.14 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.14 -0.936 . . . . 0.0 108.673 171.751 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 49.1 t -63.13 109.07 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.966 -175.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 18.9 p -133.19 170.52 15.3 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.89 179.705 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 2.7 m -91.08 18.74 6.43 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.805 -178.303 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . 98.01 -36.7 3.82 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.94 -0.647 . . . . 0.0 112.264 -177.445 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . 64.72 -128.38 34.93 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 121.101 -0.571 . . . . 0.0 112.481 177.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 6' ' ' TYR . . . . . 0.487 ' O ' ' HB ' ' B' ' 10' ' ' THR . 29.8 p90 -72.29 -11.44 60.71 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.818 0.342 . . . . 0.0 111.159 179.599 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -74.47 -28.32 63.83 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.539 -0.838 . . . . 0.0 111.069 176.309 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 77.1 m-85 -135.6 70.29 1.43 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.346 0.593 . . . . 0.0 109.651 176.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 134.45 52.66 0.07 OUTLIER Glycine 0 N--CA 1.448 -0.518 0 CA-C-N 115.34 -0.845 . . . . 0.0 112.456 177.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . 0.487 ' HB ' ' O ' ' B' ' 6' ' ' TYR . 13.9 t -108.63 5.7 25.2 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.107 0.48 . . . . 0.0 110.792 179.53 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 32.9 m -148.07 144.77 28.11 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.485 -178.151 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -85.39 154.22 22.0 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.113 177.179 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . 54.86 57.45 5.64 Favored 'General case' 0 N--CA 1.463 0.175 0 O-C-N 123.589 0.555 . . . . 0.0 111.222 -177.753 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -107.91 163.95 12.68 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.215 0.531 . . . . 0.0 111.294 -177.205 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . -155.92 148.56 18.83 Favored Glycine 0 N--CA 1.444 -0.794 0 N-CA-C 111.176 -0.77 . . . . 0.0 111.176 179.431 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 16' ' ' ALA . . . . . 0.625 ' HA ' ' OE1' ' B' ' 74' ' ' GLU . . . 67.33 104.19 0.05 OUTLIER 'General case' 0 N--CA 1.463 0.204 0 C-N-CA 123.043 0.537 . . . . 0.0 111.056 -177.359 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 73.76 46.09 25.29 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.718 -0.753 . . . . 0.0 111.88 -176.183 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 46.1 t -92.85 -61.05 2.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-O 120.91 0.386 . . . . 0.0 111.179 -179.448 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -128.74 -164.57 1.4 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.618 -176.663 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -93.96 -13.96 26.47 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.675 0.274 . . . . 0.0 111.098 179.086 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . 0.456 ' HA3' ' HA3' ' A' ' 21' ' ' GLY . . . -153.64 16.02 0.64 Allowed Glycine 0 C--O 1.229 -0.191 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.354 176.873 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 37.5 m -137.48 125.16 22.33 Favored 'General case' 0 N--CA 1.447 -0.608 0 CA-C-O 120.678 0.275 . . . . 0.0 110.81 179.21 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 23' ' ' TYR . . . . . 0.471 ' CE1' ' HA ' ' B' ' 74' ' ' GLU . 1.1 m-85 -151.7 119.24 6.05 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-N 116.233 -0.44 . . . . 0.0 109.906 179.609 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.48 -30.16 53.0 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-O 121.177 0.513 . . . . 0.0 110.824 177.639 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.32 -28.52 67.2 Favored Glycine 0 CA--C 1.518 0.23 0 CA-C-N 116.045 -0.525 . . . . 0.0 112.959 -177.241 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 26' ' ' ALA . . . . . 0.512 ' HB1' ' HB2' ' B' ' 78' ' ' GLN . . . -72.33 -19.82 61.58 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.217 0.532 . . . . 0.0 110.381 179.501 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . 0.459 HG22 HD11 ' B' ' 81' ' ' LEU . 3.1 t -89.56 -39.1 12.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.368 -178.013 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 57.2 m-80 -67.86 -17.61 64.55 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.031 0.382 . . . . 0.0 112.031 -175.502 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 12.8 ptm180 -96.06 11.16 35.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.682 0.277 . . . . 0.0 111.246 -177.517 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . 0.533 HD11 ' HB3' ' B' ' 81' ' ' LEU . 86.8 mt -81.17 -23.65 38.09 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.065 0.46 . . . . 0.0 110.658 -179.805 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 8.5 p -75.39 -3.15 32.02 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.499 0.666 . . . . 0.0 110.265 177.204 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 48.3 t -84.94 154.19 22.35 Favored 'General case' 0 N--CA 1.447 -0.624 0 CA-C-N 115.16 -0.927 . . . . 0.0 110.002 178.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.94 -22.36 62.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.148 -179.292 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -49.52 -58.27 5.51 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.286 -0.87 . . . . 0.0 110.944 178.691 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 35' ' ' ALA . . . . . 0.685 ' O ' HG23 ' B' ' 39' ' ' VAL . . . -63.3 -54.02 43.62 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.276 -0.875 . . . . 0.0 110.666 179.279 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.11 -34.05 20.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.07 -0.514 . . . . 0.0 112.344 -174.59 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 20.1 m -74.86 -20.9 59.54 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 111.852 0.316 . . . . 0.0 111.852 -177.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 38' ' ' ARG . . . . . 0.483 ' HD2' ' OE1' ' B' ' 82' ' ' GLU . 59.3 mtt180 -97.65 -44.66 6.68 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.768 0.794 . . . . 0.0 109.419 -179.087 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . 0.685 HG23 ' O ' ' B' ' 35' ' ' ALA . 21.4 t -62.45 -44.19 99.03 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.827 0 CA-C-N 114.349 -1.296 . . . . 0.0 111.12 -175.787 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 40' ' ' SER . . . . . 0.46 ' O ' HG12 ' B' ' 43' ' ' ILE . 78.2 p -68.93 -19.59 64.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.312 0.577 . . . . 0.0 110.868 -179.884 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 43.4 t -79.4 -10.07 59.73 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.44 -179.258 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 43.3 m-80 -124.29 -2.44 8.06 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.643 -175.202 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 43' ' ' ILE . . . . . 0.521 HG13 ' N ' ' B' ' 44' ' ' ALA . 4.6 pt -61.77 -41.54 90.98 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-O 120.787 0.327 . . . . 0.0 110.662 177.856 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . 0.521 ' N ' HG13 ' B' ' 43' ' ' ILE . . . -78.54 -11.14 59.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.022 0.439 . . . . 0.0 110.939 -177.119 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -84.28 -52.77 5.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.056 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 46' ' ' ILE . . . . . 0.422 HG21 ' HB3' ' B' ' 87' ' ' LEU . 45.0 mt -64.64 -35.2 74.11 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.344 179.413 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . 0.718 ' HB1' HD13 ' A' ' 96' ' ' ILE . . . -64.84 -20.17 66.26 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.575 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 22.7 t -97.17 -27.95 14.32 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.451 -174.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -115.15 -17.63 6.66 Favored Glycine 0 C--N 1.331 0.285 0 C-N-CA 120.454 -0.879 . . . . 0.0 113.521 -175.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 75.57 -80.08 1.05 Allowed Glycine 0 N--CA 1.448 -0.524 0 N-CA-C 111.613 -0.595 . . . . 0.0 111.613 179.655 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -118.7 -15.06 9.52 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-N 115.096 -0.552 . . . . 0.0 110.21 178.424 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 27.2 t -71.88 -17.15 62.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.833 -0.621 . . . . 0.0 109.901 -179.549 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -94.49 -13.36 26.22 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.341 -178.108 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 54' ' ' LEU . . . . . 0.463 ' N ' ' HD2' ' B' ' 55' ' ' PRO . 32.1 mt -54.08 -57.69 16.91 Favored Pre-proline 0 CA--C 1.534 0.352 0 N-CA-C 112.014 0.376 . . . . 0.0 112.014 -176.03 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 55' ' ' PRO . . . . . 0.463 ' HD2' ' N ' ' B' ' 54' ' ' LEU . 18.5 Cg_endo -58.91 -26.11 79.69 Favored 'Trans proline' 0 C--N 1.355 0.87 0 C-N-CA 122.407 2.071 . . . . 0.0 112.385 -177.661 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 50.6 m -86.56 -42.83 13.18 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.986 -178.685 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 57.3 t -74.11 -39.61 50.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.383 -173.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 58' ' ' ILE . . . . . 0.444 HG12 ' HG ' ' B' ' 83' ' ' LEU . 50.1 mt -61.04 -39.43 82.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.063 176.111 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 31.0 t -68.87 -33.17 73.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.942 0.401 . . . . 0.0 110.185 179.551 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 95.8 m-20 -64.41 -54.0 39.69 Favored 'General case' 0 CA--C 1.519 -0.249 0 CA-C-O 121.277 0.56 . . . . 0.0 110.53 178.225 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . 0.488 ' O ' HG23 ' B' ' 65' ' ' VAL . 58.9 mt -70.28 -45.48 75.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-N 115.434 -0.803 . . . . 0.0 111.452 -176.164 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 62' ' ' TYR . . . . . 0.54 ' O ' HG23 ' B' ' 66' ' ' VAL . 46.0 t80 -54.65 -55.28 31.25 Favored 'General case' 0 C--N 1.331 -0.198 0 O-C-N 123.171 0.294 . . . . 0.0 110.874 -178.129 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 22.1 t -61.3 -32.6 72.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.914 0.388 . . . . 0.0 110.307 -178.622 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -66.66 -41.07 94.1 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.812 -0.709 . . . . 0.0 111.803 179.44 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 65' ' ' VAL . . . . . 0.656 HG12 HG11 ' B' ' 70' ' ' VAL . 48.7 t -69.91 -41.87 79.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 120.798 0.332 . . . . 0.0 110.454 177.604 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 66' ' ' VAL . . . . . 0.54 HG23 ' O ' ' B' ' 62' ' ' TYR . 87.3 t -60.37 -40.07 82.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.859 179.71 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -72.86 -5.81 40.78 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.729 -179.735 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 21.0 t -86.42 -15.73 39.4 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.535 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 98.36 33.41 5.68 Favored Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.609 -0.805 . . . . 0.0 112.268 -179.417 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.656 HG11 HG12 ' B' ' 65' ' ' VAL . 12.3 p -86.89 160.94 2.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 N-CA-C 110.195 -0.298 . . . . 0.0 110.195 178.364 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 22.8 t -66.06 147.9 52.63 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 173.739 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 9.9 m -52.17 -60.16 3.53 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 113.267 0.839 . . . . 0.0 113.267 -171.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -82.14 -13.5 57.12 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.441 -0.503 . . . . 0.0 110.657 -174.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 74' ' ' GLU . . . . . 0.625 ' OE1' ' HA ' ' B' ' 16' ' ' ALA . 36.1 tt0 -74.35 -29.95 61.8 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 175.716 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -57.75 -36.72 72.47 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 115.089 -0.96 . . . . 0.0 110.819 177.199 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 76' ' ' LEU . . . . . 0.517 HD23 ' HB3' ' B' ' 118' ' ' TYR . 3.0 tm? -57.07 -51.74 68.08 Favored 'General case' 0 CA--C 1.518 -0.251 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.145 178.557 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 77' ' ' ILE . . . . . 0.713 ' O ' ' HG ' ' B' ' 81' ' ' LEU . 33.9 mm -62.6 -54.2 37.13 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-N 115.899 -0.592 . . . . 0.0 111.149 -177.064 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 78' ' ' GLN . . . . . 0.512 ' HB2' ' HB1' ' B' ' 26' ' ' ALA . 19.4 tt0 -57.78 -47.43 82.56 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 121.045 -0.262 . . . . 0.0 111.161 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -59.29 -41.42 88.93 Favored 'General case' 0 CA--C 1.517 -0.319 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.487 179.552 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 80' ' ' LEU . . . . . 0.565 ' O ' HD13 ' B' ' 84' ' ' LEU . 2.1 mm? -62.9 -50.66 69.98 Favored 'General case' 0 N--CA 1.446 -0.632 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.785 176.467 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . 0.713 ' HG ' ' O ' ' B' ' 77' ' ' ILE . 38.7 mt -54.62 -45.3 73.67 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.853 0.359 . . . . 0.0 111.19 -178.701 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 82' ' ' GLU . . . . . 0.483 ' OE1' ' HD2' ' B' ' 38' ' ' ARG . 59.2 mt-10 -66.57 -35.15 79.51 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.736 177.718 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 83' ' ' LEU . . . . . 0.444 ' HG ' HG12 ' B' ' 58' ' ' ILE . 3.4 tm? -64.37 -45.88 85.8 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.133 -0.485 . . . . 0.0 109.963 174.577 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 84' ' ' LEU . . . . . 0.565 HD13 ' O ' ' B' ' 80' ' ' LEU . 10.9 mp -62.09 -14.87 40.77 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.403 -0.817 . . . . 0.0 111.556 -179.733 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 42.6 m -93.53 -33.48 13.75 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.916 0.388 . . . . 0.0 111.399 -175.694 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -68.32 -41.12 81.28 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.207 0.527 . . . . 0.0 111.027 -176.012 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 87' ' ' LEU . . . . . 0.465 HD12 ' N ' ' B' ' 88' ' ' VAL . 1.0 OUTLIER -83.78 -18.0 39.21 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 112.904 0.705 . . . . 0.0 112.904 -172.086 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 88' ' ' VAL . . . . . 0.465 ' N ' HD12 ' B' ' 87' ' ' LEU . 18.5 m -89.76 -21.68 6.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 C-N-CA 120.204 -0.599 . . . . 0.0 110.47 177.034 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 89' ' ' HIS . . . . . . . . . . . . . 71.1 t60 -72.28 -37.16 69.09 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.155 177.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 90' ' ' VAL . . . . . . . . . . . . . 33.2 m -64.14 -27.39 42.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 C-N-CA 120.797 -0.361 . . . . 0.0 111.814 -175.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 91' ' ' LEU . . . . . 0.628 ' HA ' ' HB3' ' B' ' 94' ' ' ALA . 3.0 mm? -66.45 -20.14 65.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.659 0.266 . . . . 0.0 110.949 179.464 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 18.9 t -64.51 -14.89 59.57 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.96 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 22.7 t -142.95 23.14 1.9 Allowed 'General case' 0 C--O 1.236 0.361 0 CA-C-O 121.484 0.659 . . . . 0.0 109.978 176.067 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 94' ' ' ALA . . . . . 0.628 ' HB3' ' HA ' ' B' ' 91' ' ' LEU . . . -106.23 98.52 8.19 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.861 177.068 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 19.8 m -67.92 85.06 0.22 Allowed 'General case' 0 N--CA 1.428 -1.529 0 CA-C-N 115.921 -0.582 . . . . 0.0 111.096 178.533 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 96' ' ' ILE . . . . . 0.666 HD13 ' HB1' ' A' ' 47' ' ' ALA . 19.7 tt -73.71 139.99 18.47 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.492 0 CA-C-O 121.019 0.438 . . . . 0.0 111.051 177.374 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 97' ' ' GLY . . . . . . . . . . . . . . . -97.85 -101.59 2.15 Favored Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.756 -179.241 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 98' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -117.3 109.86 17.36 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.669 0.271 . . . . 0.0 111.096 -176.113 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 99' ' ' VAL . . . . . 0.424 ' CG1' HD11 ' B' ' 96' ' ' ILE . 3.3 m -108.41 149.79 11.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.489 174.537 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 100' ' ' SER . . . . . . . . . . . . . 49.9 m -140.92 168.15 20.47 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.034 -179.326 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 101' ' ' SER . . . . . 0.469 ' CB ' ' HB2' ' A' ' 40' ' ' SER . 10.8 p -70.33 -6.52 35.79 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 112.501 0.556 . . . . 0.0 112.501 -174.825 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 7.3 p -76.65 106.74 6.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 121.706 0.765 . . . . 0.0 111.59 -176.05 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . 116.83 -11.01 15.53 Favored Glycine 0 N--CA 1.449 -0.46 0 CA-C-N 115.471 -0.786 . . . . 0.0 113.627 172.435 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 104' ' ' VAL . . . . . . . . . . . . . 26.1 t -57.75 -34.9 49.03 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.258 0 CA-C-O 120.97 0.414 . . . . 0.0 110.328 178.55 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -53.42 -38.51 63.54 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 114.99 -1.005 . . . . 0.0 110.364 178.408 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 5.8 m -80.57 -37.95 30.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.435 -0.802 . . . . 0.0 111.506 -176.39 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 24.1 m -60.82 -35.34 76.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.195 0.521 . . . . 0.0 110.258 179.295 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 108' ' ' LEU . . . . . 0.516 HD21 HG21 ' A' ' 39' ' ' VAL . 3.1 mt -62.53 -22.67 66.48 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.892 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 109' ' ' ASN . . . . . 0.494 ' N ' HD22 ' B' ' 109' ' ' ASN . 0.8 OUTLIER -70.22 -27.92 64.86 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.034 0.445 . . . . 0.0 110.181 178.55 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 110' ' ' VAL . . . . . . . . . . . . . 18.8 t -84.78 -37.22 12.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.138 -175.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 111' ' ' VAL . . . . . 0.513 ' O ' HG12 ' B' ' 115' ' ' VAL . 7.5 p -62.12 -31.82 52.62 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.359 0 CA-C-O 121.222 0.534 . . . . 0.0 110.27 -178.325 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 112' ' ' GLN . . . . . 0.462 ' HG2' HG12 ' A' ' 27' ' ' VAL . 25.6 mt-30 -66.76 -25.6 66.57 Favored 'General case' 0 CA--C 1.521 -0.155 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.518 179.751 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 113' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -80.4 -32.87 37.42 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.175 -0.921 . . . . 0.0 111.125 -175.151 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 5.8 m -85.04 -37.25 20.57 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.619 -0.719 . . . . 0.0 112.031 -172.236 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 115' ' ' VAL . . . . . 0.707 HG11 HD22 ' A' ' 81' ' ' LEU . 14.8 p -111.93 -20.15 6.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-O 120.761 0.315 . . . . 0.0 111.75 -174.058 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 116' ' ' GLY . . . . . . . . . . . . . . . -61.83 -23.38 63.29 Favored Glycine 0 C--N 1.33 0.227 0 C-N-CA 121.26 -0.495 . . . . 0.0 113.246 -175.734 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.49 1.82 50.13 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.579 0.228 . . . . 0.0 111.43 -178.255 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 118' ' ' TYR . . . . . 0.517 ' HB3' HD23 ' B' ' 76' ' ' LEU . 86.3 m-85 -114.32 -31.51 6.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.74 0.305 . . . . 0.0 111.073 178.409 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 119' ' ' VAL . . . . . 0.485 HG21 HG21 ' A' ' 27' ' ' VAL . 27.2 m -83.31 -2.33 6.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.421 179.48 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.976 0 CA-C-O 118.072 -1.404 . . . . 0.0 110.894 177.869 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.767 0 N-CA-C 111.86 -0.496 . . . . 0.0 111.86 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 19.6 m 56.92 80.32 0.16 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.271 0.558 . . . . 0.0 111.396 -178.716 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . 100.75 -167.64 19.98 Favored Glycine 0 N--CA 1.446 -0.697 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.848 -178.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' -2' ' ' ASN . . . . . . . . . . . . . 26.5 t-20 -144.29 -62.63 0.38 Allowed 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.968 0.413 . . . . 0.0 110.41 -179.318 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 41.1 m -132.09 103.24 6.16 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.023 178.247 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 11.9 m -73.96 107.0 4.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 121.512 0.672 . . . . 0.0 111.758 -178.682 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.448 ' HA ' ' HA ' ' B' ' 2' ' ' THR . 13.9 t -156.37 144.11 19.4 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.388 175.506 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.0 p -145.42 -69.86 0.28 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.906 0.384 . . . . 0.0 111.537 -175.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 162.37 -155.7 27.08 Favored Glycine 0 N--CA 1.447 -0.571 0 C-N-CA 121.135 -0.555 . . . . 0.0 111.846 -178.456 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 103.85 19.31 12.11 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.909 -0.663 . . . . 0.0 112.143 -178.396 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 50.6 p90 -142.69 -174.1 4.06 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 110.286 -0.265 . . . . 0.0 110.286 -179.627 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.533 ' O ' ' HA ' ' A' ' 19' ' ' ALA . . . 113.86 -99.28 0.96 Allowed Glycine 0 N--CA 1.447 -0.572 0 N-CA-C 111.172 -0.771 . . . . 0.0 111.172 -176.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -98.68 -6.66 29.24 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.2 0.524 . . . . 0.0 110.036 174.245 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -115.72 26.67 8.79 Favored Glycine 0 N--CA 1.446 -0.677 0 C-N-CA 120.829 -0.7 . . . . 0.0 112.39 -178.437 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 5.5 t -83.27 -30.49 27.57 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.945 0.403 . . . . 0.0 109.977 178.599 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.512 ' O ' ' HA ' ' A' ' 18' ' ' VAL . 49.3 m -155.49 103.73 2.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.025 -0.534 . . . . 0.0 109.839 172.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -84.85 99.81 11.16 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 120.884 0.373 . . . . 0.0 110.676 -179.084 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -151.09 -166.71 2.61 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.303 -178.587 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.41 -12.58 60.55 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.141 0.496 . . . . 0.0 111.159 176.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.481 ' HA3' ' H ' ' A' ' 25' ' ' GLY . . . 157.96 -153.34 24.54 Favored Glycine 0 N--CA 1.446 -0.639 0 C-N-CA 120.958 -0.639 . . . . 0.0 111.726 179.638 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 59.36 41.28 19.93 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-O 121.016 0.436 . . . . 0.0 111.798 176.425 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.432 ' O ' ' HB2' ' A' ' 11' ' ' SER . . . 122.99 23.0 2.3 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.929 178.577 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.522 ' CG2' ' HA ' ' A' ' 23' ' ' TYR . 0.3 OUTLIER -63.04 -53.32 47.96 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.263 0 CA-C-O 121.042 0.449 . . . . 0.0 111.384 178.495 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.533 ' HA ' ' O ' ' A' ' 7' ' ' GLY . . . -117.89 167.32 11.53 Favored 'General case' 0 N--CA 1.446 -0.645 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.187 179.709 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.51 -39.65 94.99 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.06 179.691 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -131.92 23.0 4.22 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.396 -0.907 . . . . 0.0 113.203 -177.406 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.448 ' HB3' ' O ' ' B' ' 119' ' ' VAL . 24.9 m -147.72 136.59 22.01 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.699 0.285 . . . . 0.0 110.621 178.588 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.522 ' HA ' ' CG2' ' A' ' 18' ' ' VAL . 0.2 OUTLIER -149.48 131.77 15.55 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.268 -177.728 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -96.76 -17.15 20.47 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.574 179.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.481 ' H ' ' HA3' ' A' ' 15' ' ' GLY . . . -59.15 -35.24 83.36 Favored Glycine 0 C--N 1.332 0.34 0 C-N-CA 120.865 -0.683 . . . . 0.0 111.981 -177.519 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.7 ' HB1' ' HB2' ' A' ' 78' ' ' GLN . . . -63.67 -24.44 67.79 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.222 -0.489 . . . . 0.0 111.292 177.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.509 HG22 ' CD1' ' A' ' 81' ' ' LEU . 2.6 t -91.4 -42.89 13.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.072 -172.045 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 33.6 m-80 -63.64 -26.42 68.67 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 120.916 0.388 . . . . 0.0 111.001 -175.697 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 12.7 ptm180 -86.58 1.92 50.01 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.782 -175.792 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 93.3 mt -73.19 -24.14 60.5 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.948 0.404 . . . . 0.0 110.996 -179.055 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 17.0 p -80.6 1.01 31.54 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.142 -179.032 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 22.8 m -91.12 169.71 10.62 Favored 'General case' 0 N--CA 1.442 -0.85 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.362 177.42 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.38 -18.35 61.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.796 -179.53 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -53.72 -61.86 2.03 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.946 -178.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.515 ' O ' HG23 ' A' ' 39' ' ' VAL . . . -68.12 -49.34 61.72 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.268 -178.602 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -51.01 -35.48 34.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 112.082 -174.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 21.7 t -78.86 -21.67 47.19 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.919 -177.316 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.449 ' HD2' ' OE1' ' A' ' 82' ' ' GLU . 65.0 mtt180 -95.45 -44.06 7.71 Favored 'General case' 0 CA--C 1.515 -0.392 0 CA-C-O 121.925 0.869 . . . . 0.0 109.42 -177.808 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.515 HG23 ' O ' ' A' ' 35' ' ' ALA . 59.2 t -63.55 -38.19 81.59 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.813 0 CA-C-N 114.16 -1.382 . . . . 0.0 110.927 -177.196 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.494 ' O ' HG12 ' A' ' 43' ' ' ILE . 79.5 p -69.35 -20.08 63.85 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.107 0.48 . . . . 0.0 110.921 179.698 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 39.5 t -85.2 -7.92 58.81 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.639 -177.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 41.3 m-80 -122.69 -1.97 8.91 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.524 -175.335 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.53 HG13 ' N ' ' A' ' 44' ' ' ALA . 5.5 pt -61.77 -42.19 93.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.931 0.396 . . . . 0.0 111.069 177.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.53 ' N ' HG13 ' A' ' 43' ' ' ILE . . . -76.54 -16.41 59.63 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.012 0.434 . . . . 0.0 110.663 -176.091 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -79.66 -52.37 8.05 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.185 -178.752 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.496 HG21 ' HB3' ' A' ' 87' ' ' LEU . 34.6 mt -66.36 -32.87 60.02 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.246 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.221 179.633 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.688 ' HB1' HD13 ' B' ' 96' ' ' ILE . . . -64.29 -25.34 68.01 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.676 179.078 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 33.4 t -91.65 -38.54 12.38 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.033 -178.225 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -92.97 -31.19 8.72 Favored Glycine 0 CA--C 1.518 0.265 0 C-N-CA 120.737 -0.745 . . . . 0.0 113.525 -175.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 79.14 -73.06 2.39 Favored Glycine 0 N--CA 1.449 -0.447 0 N-CA-C 111.417 -0.673 . . . . 0.0 111.417 -177.058 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -122.44 -25.77 4.72 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.955 0.407 . . . . 0.0 110.879 -179.728 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 11.1 p -70.43 -15.9 62.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.186 0.517 . . . . 0.0 110.806 -178.576 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -88.59 -16.02 33.58 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.759 -178.207 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.454 HD11 HG11 ' B' ' 88' ' ' VAL . 48.6 mt -55.28 -57.77 18.55 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.783 -177.53 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.432 ' HD2' ' N ' ' A' ' 54' ' ' LEU . 19.5 Cg_endo -60.79 -23.9 77.67 Favored 'Trans proline' 0 C--N 1.354 0.817 0 C-N-CA 121.991 1.794 . . . . 0.0 112.535 -178.487 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 30.3 m -85.6 -44.09 12.92 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.782 0.325 . . . . 0.0 111.186 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 76.3 t -76.65 -38.31 30.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.723 -172.628 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.498 HG12 ' HG ' ' A' ' 83' ' ' LEU . 59.2 mt -59.17 -39.54 78.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.022 176.368 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 35.4 t -68.97 -36.96 78.48 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.073 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -61.1 -54.22 47.39 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-O 121.257 0.551 . . . . 0.0 110.606 178.176 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.47 ' O ' HG23 ' A' ' 65' ' ' VAL . 60.7 mt -68.16 -45.18 83.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 115.446 -0.797 . . . . 0.0 111.386 -176.749 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.45 ' O ' HG23 ' A' ' 66' ' ' VAL . 54.5 t80 -54.66 -49.22 71.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.792 0.33 . . . . 0.0 110.73 -177.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 19.7 m -60.09 -34.35 73.34 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.813 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -71.35 -41.3 59.12 Favored Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 120.611 -0.804 . . . . 0.0 111.464 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.797 HG12 HG11 ' A' ' 70' ' ' VAL . 61.5 t -65.06 -47.7 86.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-O 120.987 0.422 . . . . 0.0 110.909 178.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.51 ' HA ' HG12 ' A' ' 70' ' ' VAL . 91.0 t -60.84 -40.75 86.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.889 -179.222 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.76 -19.1 65.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.9 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 67.5 m -74.21 -25.16 59.51 Favored 'General case' 0 N--CA 1.444 -0.755 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.752 -179.086 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 106.34 37.08 2.53 Favored Glycine 0 N--CA 1.453 -0.185 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.278 -177.446 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.797 HG11 HG12 ' A' ' 65' ' ' VAL . 11.6 p -89.91 162.4 2.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 N-CA-C 109.908 -0.405 . . . . 0.0 109.908 178.136 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.405 ' N ' HG22 ' A' ' 70' ' ' VAL . 25.7 t -67.42 146.18 54.27 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.568 -0.531 . . . . 0.0 109.568 174.113 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 43.0 m -53.59 -46.35 70.32 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.606 0.595 . . . . 0.0 112.606 -173.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.415 ' HB3' ' OH ' ' A' ' 23' ' ' TYR . 2.0 t30 -85.44 -28.29 25.16 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.254 -0.578 . . . . 0.0 110.768 -175.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.425 ' CG ' ' HB2' ' A' ' 26' ' ' ALA . 43.4 tt0 -68.75 -27.4 65.88 Favored 'General case' 0 C--O 1.234 0.254 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 177.339 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -55.98 -38.82 70.93 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.103 176.513 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.591 HD23 ' HB3' ' A' ' 118' ' ' TYR . 3.0 tm? -57.19 -52.51 65.03 Favored 'General case' 0 CA--C 1.518 -0.277 0 CA-C-O 121.3 0.571 . . . . 0.0 109.525 177.098 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.612 ' O ' ' HG ' ' A' ' 81' ' ' LEU . 36.1 mm -60.67 -54.17 38.91 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-N 115.156 -0.929 . . . . 0.0 111.018 -177.401 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . 0.7 ' HB2' ' HB1' ' A' ' 26' ' ' ALA . 24.9 tt0 -58.24 -46.28 86.24 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.552 -0.295 . . . . 0.0 111.202 -179.558 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.2 -42.16 98.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.795 0.331 . . . . 0.0 110.536 -179.202 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.701 ' O ' ' HG ' ' A' ' 84' ' ' LEU . 3.6 mm? -65.44 -43.18 91.23 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.036 177.662 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.658 HD22 HG11 ' B' ' 115' ' ' VAL . 14.8 mt -66.69 -41.55 87.89 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.626 0.25 . . . . 0.0 111.43 -177.119 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.449 ' OE1' ' HD2' ' A' ' 38' ' ' ARG . 54.0 mt-10 -64.34 -35.87 82.28 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.109 0.48 . . . . 0.0 110.281 173.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.498 ' HG ' HG12 ' A' ' 58' ' ' ILE . 3.4 tm? -62.48 -43.73 98.09 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.901 175.374 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.701 ' HG ' ' O ' ' A' ' 80' ' ' LEU . 13.2 mt -64.77 -15.28 61.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.136 -177.769 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 34.9 m -91.77 -32.74 15.27 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 120.918 0.39 . . . . 0.0 110.826 -174.786 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.431 ' O ' HG13 ' A' ' 90' ' ' VAL . . . -68.32 -40.11 81.75 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.025 -176.273 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.496 ' HB3' HG21 ' A' ' 46' ' ' ILE . 1.2 pp -84.9 -16.6 40.58 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 112.944 0.72 . . . . 0.0 112.944 -172.298 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.448 HG13 HD12 ' A' ' 87' ' ' LEU . 16.9 m -93.37 -22.45 5.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 C-N-CA 120.197 -0.601 . . . . 0.0 110.613 176.213 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 74.8 t60 -69.55 -34.39 74.14 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.248 -0.433 . . . . 0.0 109.915 177.141 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.536 ' HA ' HG11 ' B' ' 99' ' ' VAL . 26.7 m -65.31 -26.64 40.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.432 -177.116 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.603 ' HA ' ' HB3' ' A' ' 94' ' ' ALA . 3.1 mm? -63.94 -19.6 65.25 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-O 120.876 0.369 . . . . 0.0 110.923 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 25.7 t -64.82 -23.17 67.15 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.02 179.085 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 8.1 t -131.99 14.96 4.74 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.81 0.814 . . . . 0.0 110.066 178.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.603 ' HB3' ' HA ' ' A' ' 91' ' ' LEU . . . -103.25 96.09 6.54 Favored 'General case' 0 N--CA 1.445 -0.684 0 CA-C-N 115.603 -0.726 . . . . 0.0 109.683 177.868 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 10.6 t -70.67 85.79 0.65 Allowed 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.076 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.697 HD13 ' HB1' ' B' ' 47' ' ' ALA . 15.4 tt -69.65 135.71 27.71 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.465 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.954 179.113 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -85.82 -90.78 0.89 Allowed Glycine 0 N--CA 1.447 -0.631 0 C-N-CA 120.856 -0.688 . . . . 0.0 112.212 -179.02 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 8.8 t30 -142.73 125.89 16.42 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 110.259 -0.274 . . . . 0.0 110.259 179.266 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.46 HG12 ' HB2' ' B' ' 93' ' ' SER . 8.9 m -107.04 143.18 18.14 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.749 179.57 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 49.0 m -105.42 141.37 37.04 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.509 -179.189 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 44.9 m -81.69 54.5 2.41 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.265 -177.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 7.1 p -150.83 133.62 6.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-O 120.873 0.368 . . . . 0.0 110.729 -179.343 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 101.37 -0.66 53.69 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.871 -0.681 . . . . 0.0 112.25 178.502 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 20.4 t -64.41 -30.2 49.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.663 0.268 . . . . 0.0 110.506 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -49.74 -46.55 50.57 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-O 121.524 0.678 . . . . 0.0 109.834 175.699 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 15.5 m -66.66 -37.45 84.82 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.429 -0.805 . . . . 0.0 111.532 -178.806 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 22.3 m -64.49 -40.77 96.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.213 0.53 . . . . 0.0 110.458 179.054 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.588 ' O ' HG12 ' A' ' 111' ' ' VAL . 4.0 mt -60.36 -38.54 84.17 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.287 -0.869 . . . . 0.0 111.198 178.268 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 14.7 m-80 -59.64 -26.31 65.41 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.489 177.462 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 39.9 t -87.55 -37.92 11.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.359 -178.098 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.588 HG12 ' O ' ' A' ' 108' ' ' LEU . 9.9 p -63.35 -23.7 33.99 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.243 0 CA-C-O 121.472 0.654 . . . . 0.0 110.557 -178.249 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . 0.554 ' HG2' HG12 ' B' ' 27' ' ' VAL . 21.3 mt-30 -70.58 -19.39 62.87 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.926 179.112 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -84.3 -32.58 24.28 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.063 -175.52 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 11.7 p -82.79 -45.48 14.3 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.921 -173.169 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.56 HG11 HD22 ' B' ' 81' ' ' LEU . 14.9 p -104.24 -18.66 6.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-O 121.067 0.461 . . . . 0.0 110.918 -174.554 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -61.11 -22.19 60.25 Favored Glycine 0 N--CA 1.451 -0.345 0 CA-C-N 115.814 -0.63 . . . . 0.0 112.869 -178.13 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.34 6.26 43.83 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.736 0.303 . . . . 0.0 111.127 -178.746 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . 0.591 ' HB3' HD23 ' A' ' 76' ' ' LEU . 73.9 m-85 -117.91 -34.17 4.25 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.258 0.552 . . . . 0.0 109.868 176.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.422 ' O ' ' HB3' ' B' ' 22' ' ' SER . 33.7 m -87.52 -2.14 8.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.593 177.535 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.461 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.903 178.803 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.059 -0.416 . . . . 0.0 112.059 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' -4' ' ' SER . . . . . . . . . . . . . 31.6 m -84.0 101.22 11.58 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.935 0.398 . . . . 0.0 110.424 179.642 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' -3' ' ' GLY . . . . . . . . . . . . . . . -110.49 163.68 12.32 Favored Glycine 0 N--CA 1.447 -0.614 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.0 -179.471 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' -2' ' ' ASN . . . . . . . . . . . . . 62.9 t30 -158.09 148.87 20.73 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 179.746 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' -1' ' ' SER . . . . . . . . . . . . . 9.9 m -81.6 63.9 6.08 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.076 0.465 . . . . 0.0 111.539 -175.522 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 98.8 t -122.47 115.53 46.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.01 176.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 2' ' ' THR . . . . . 0.448 ' HA ' ' HA ' ' A' ' 2' ' ' THR . 6.5 t -124.58 126.21 45.42 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.91 -178.226 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 24.5 m -78.59 -20.65 50.02 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.212 176.743 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . 86.99 -87.73 1.57 Allowed Glycine 0 N--CA 1.446 -0.693 0 C-N-CA 120.949 -0.643 . . . . 0.0 112.645 176.525 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . 91.28 42.37 4.93 Favored Glycine 0 N--CA 1.447 -0.575 0 N-CA-C 111.244 -0.742 . . . . 0.0 111.244 -173.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 6' ' ' TYR . . . . . . . . . . . . . 15.2 p90 -129.11 -165.3 1.49 Allowed 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 110.261 -0.274 . . . . 0.0 110.261 -178.176 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 7' ' ' GLY . . . . . 0.512 ' O ' ' HA ' ' B' ' 19' ' ' ALA . . . 85.17 -125.92 7.46 Favored Glycine 0 N--CA 1.448 -0.501 0 N-CA-C 110.319 -1.113 . . . . 0.0 110.319 -174.372 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 40.4 t80 -90.12 -8.13 52.06 Favored 'General case' 0 N--CA 1.442 -0.828 0 CA-C-O 121.503 0.668 . . . . 0.0 109.531 173.133 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -92.94 28.16 9.91 Favored Glycine 0 N--CA 1.448 -0.513 0 CA-C-N 115.665 -0.698 . . . . 0.0 112.147 -179.695 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 16.6 p -82.17 -65.99 0.94 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.966 0.412 . . . . 0.0 110.679 179.146 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 65.6 m -154.56 127.42 8.18 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.468 177.703 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -82.09 128.89 34.58 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.115 -178.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -168.55 175.91 5.98 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.602 -0.726 . . . . 0.0 109.393 179.451 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.66 -15.36 61.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.435 0.636 . . . . 0.0 110.396 177.333 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 15' ' ' GLY . . . . . 0.621 ' O ' ' HA3' ' B' ' 25' ' ' GLY . . . 158.61 90.71 0.08 OUTLIER Glycine 0 N--CA 1.441 -1.013 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.614 178.334 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 16' ' ' ALA . . . . . 0.456 ' H ' HG13 ' B' ' 18' ' ' VAL . . . -175.44 98.53 0.07 Allowed 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.211 -0.662 . . . . 0.0 109.211 176.104 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 58.87 41.0 95.92 Favored Glycine 0 CA--C 1.519 0.283 0 C-N-CA 120.657 -0.782 . . . . 0.0 111.902 -174.387 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . 0.456 HG13 ' H ' ' B' ' 16' ' ' ALA . 2.1 m -79.84 -32.76 14.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.812 0.339 . . . . 0.0 111.646 -176.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 19' ' ' ALA . . . . . 0.512 ' HA ' ' O ' ' B' ' 7' ' ' GLY . . . -135.25 172.57 12.82 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 116.207 -0.452 . . . . 0.0 109.912 179.846 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -65.51 -42.22 92.32 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.185 -178.63 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -134.5 24.03 3.56 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.247 -177.663 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 22' ' ' SER . . . . . 0.422 ' HB3' ' O ' ' A' ' 119' ' ' VAL . 6.0 m -142.66 131.35 22.66 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 120.91 0.386 . . . . 0.0 110.498 179.848 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -147.8 121.58 9.29 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -79.68 -20.19 47.17 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.455 -177.078 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . 0.621 ' HA3' ' O ' ' B' ' 15' ' ' GLY . . . -69.78 -20.33 75.82 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.37 -0.919 . . . . 0.0 112.072 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -80.75 4.12 20.01 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.526 0.679 . . . . 0.0 110.024 175.122 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . 0.554 HG12 ' HG2' ' A' ' 112' ' ' GLN . 2.6 t -117.71 -42.78 2.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.139 -0.937 . . . . 0.0 109.931 179.846 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 63.9 m-20 -69.74 -11.77 61.11 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.241 -0.89 . . . . 0.0 111.461 -175.082 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 76.3 ttt180 -92.99 1.87 57.09 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-O 121.348 0.594 . . . . 0.0 110.404 179.452 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . 0.6 HD11 ' HB3' ' B' ' 81' ' ' LEU . 68.2 mt -79.16 -29.58 43.12 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.253 179.473 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 3.0 p -78.27 7.41 6.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.441 0.638 . . . . 0.0 110.689 178.791 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 67.5 m -91.04 152.55 20.61 Favored 'General case' 0 N--CA 1.437 -1.077 0 CA-C-N 115.237 -0.892 . . . . 0.0 109.637 174.419 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.65 -14.99 62.32 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.972 0.415 . . . . 0.0 111.047 -178.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -57.7 -56.59 19.91 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.856 177.585 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 35' ' ' ALA . . . . . 0.61 ' O ' HG23 ' B' ' 39' ' ' VAL . . . -57.89 -52.0 67.3 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.56 -179.808 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -52.13 -31.0 29.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.395 -178.567 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 10.8 t -74.12 -27.31 60.8 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.563 -178.526 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 38' ' ' ARG . . . . . 0.424 ' HD2' ' OE1' ' B' ' 82' ' ' GLU . 65.1 mtt180 -96.39 -45.45 6.78 Favored 'General case' 0 CA--C 1.516 -0.342 0 CA-C-O 121.931 0.872 . . . . 0.0 109.888 -177.038 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . 0.61 HG23 ' O ' ' B' ' 35' ' ' ALA . 34.7 t -63.36 -36.9 77.98 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.825 0 CA-C-N 114.26 -1.336 . . . . 0.0 110.975 -175.448 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 40' ' ' SER . . . . . 0.468 ' O ' HG12 ' B' ' 43' ' ' ILE . 91.9 p -72.89 -12.24 60.89 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.97 0.414 . . . . 0.0 111.273 -179.029 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 9.8 t -89.55 -15.94 31.79 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.385 0.612 . . . . 0.0 110.034 -179.008 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 45.3 m-80 -112.43 -5.87 14.05 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.087 -174.168 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 43' ' ' ILE . . . . . 0.517 HG13 ' N ' ' B' ' 44' ' ' ALA . 5.3 pt -58.5 -42.19 83.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.972 177.725 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . 0.517 ' N ' HG13 ' B' ' 43' ' ' ILE . . . -79.21 -12.95 59.97 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.108 0.48 . . . . 0.0 110.657 -176.255 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -82.06 -49.91 9.67 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.998 -179.598 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 41.4 mt -65.62 -35.7 75.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.158 178.393 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . 0.697 ' HB1' HD13 ' A' ' 96' ' ' ILE . . . -62.72 -23.74 67.32 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.395 178.302 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 13.2 t -92.3 -38.02 12.31 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.207 -176.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -99.01 -21.82 14.75 Favored Glycine 0 CA--C 1.519 0.336 0 C-N-CA 120.399 -0.905 . . . . 0.0 113.457 -175.741 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 77.52 -75.79 1.77 Allowed Glycine 0 N--CA 1.448 -0.555 0 N-CA-C 111.695 -0.562 . . . . 0.0 111.695 -179.552 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -122.87 -27.45 4.27 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.163 0.506 . . . . 0.0 110.587 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 9.8 m -75.6 -3.2 33.01 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.725 -177.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -92.58 -18.01 23.66 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.431 177.461 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 54' ' ' LEU . . . . . 0.472 ' N ' ' HD2' ' B' ' 55' ' ' PRO . 47.5 mt -55.23 -56.34 29.66 Favored Pre-proline 0 CA--C 1.533 0.318 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.9 -177.478 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 55' ' ' PRO . . . . . 0.472 ' HD2' ' N ' ' B' ' 54' ' ' LEU . 14.7 Cg_endo -59.96 -23.2 72.03 Favored 'Trans proline' 0 C--N 1.353 0.798 0 C-N-CA 122.276 1.984 . . . . 0.0 112.621 -177.524 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 20.8 m -89.24 -38.75 14.0 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.029 0.442 . . . . 0.0 110.945 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 54.1 t -80.07 -42.16 21.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.838 -173.46 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 58' ' ' ILE . . . . . 0.543 HG12 ' HG ' ' B' ' 83' ' ' LEU . 58.1 mt -59.12 -37.39 67.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.862 176.818 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 15.8 t -68.64 -38.92 80.86 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.969 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -58.54 -53.51 57.54 Favored 'General case' 0 CA--C 1.517 -0.325 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.727 177.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 50.5 mt -70.58 -43.26 77.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.463 -175.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 62' ' ' TYR . . . . . 0.404 ' CE2' HG21 ' B' ' 66' ' ' VAL . 59.3 t80 -56.31 -48.67 76.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.811 0.338 . . . . 0.0 110.672 -178.427 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 19.7 m -60.42 -30.51 69.67 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.838 179.328 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -73.94 -42.62 36.99 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.956 -0.64 . . . . 0.0 111.692 179.351 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 65' ' ' VAL . . . . . 0.645 HG12 HG11 ' B' ' 70' ' ' VAL . 63.7 t -68.8 -44.36 82.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 120.813 0.34 . . . . 0.0 110.855 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 66' ' ' VAL . . . . . 0.404 HG21 ' CE2' ' B' ' 62' ' ' TYR . 77.3 t -60.26 -37.19 72.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-O 120.843 0.354 . . . . 0.0 110.806 179.649 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.57 -7.06 23.17 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.818 178.146 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 68' ' ' SER . . . . . 0.416 ' HB3' ' O ' ' B' ' 65' ' ' VAL . 40.3 t -83.13 -9.66 59.08 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.897 0.38 . . . . 0.0 110.243 177.352 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 91.23 30.26 11.24 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.85 -0.69 . . . . 0.0 112.217 178.133 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.645 HG11 HG12 ' B' ' 65' ' ' VAL . 11.6 p -97.88 158.58 3.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-O 120.595 0.236 . . . . 0.0 110.458 -179.079 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 35.0 t -67.53 144.55 55.58 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 110.085 -0.339 . . . . 0.0 110.085 175.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 4.0 m -55.5 -46.75 76.93 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 112.323 0.49 . . . . 0.0 112.323 -175.053 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -68.72 -34.51 75.75 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.931 0.396 . . . . 0.0 110.205 -175.34 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -77.05 -32.22 56.76 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.074 0.464 . . . . 0.0 109.923 178.701 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . 0.625 ' HB2' HG13 ' B' ' 70' ' ' VAL . . . -62.39 -37.28 85.14 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.91 176.694 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 76' ' ' LEU . . . . . 0.464 ' O ' ' HB2' ' B' ' 80' ' ' LEU . 2.7 tm? -55.35 -44.38 75.91 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.097 -0.501 . . . . 0.0 109.953 178.313 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 77' ' ' ILE . . . . . 0.611 ' O ' ' HG ' ' B' ' 81' ' ' LEU . 46.6 mm -67.72 -55.46 16.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.89 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 78' ' ' GLN . . . . . . . . . . . . . 41.4 tp60 -53.42 -50.16 65.8 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-O 121.037 0.446 . . . . 0.0 111.058 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.31 -37.01 85.81 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.115 -177.05 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 80' ' ' LEU . . . . . 0.548 ' O ' HD23 ' B' ' 84' ' ' LEU . 4.3 mt -70.18 -39.3 75.34 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.928 178.841 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . 0.611 ' HG ' ' O ' ' B' ' 77' ' ' ILE . 23.6 mt -69.09 -37.29 78.35 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-O 120.727 0.299 . . . . 0.0 110.845 -179.235 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 82' ' ' GLU . . . . . 0.424 ' OE1' ' HD2' ' B' ' 38' ' ' ARG . 44.8 mt-10 -62.35 -34.77 77.31 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.15 0.5 . . . . 0.0 109.899 170.26 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 83' ' ' LEU . . . . . 0.543 ' HG ' HG12 ' B' ' 58' ' ' ILE . 3.4 tm? -68.64 -42.47 77.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.111 0.482 . . . . 0.0 110.063 178.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 84' ' ' LEU . . . . . 0.548 HD23 ' O ' ' B' ' 80' ' ' LEU . 3.7 mm? -66.87 -8.32 28.23 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.646 -0.706 . . . . 0.0 112.379 -176.78 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 37.9 t -100.53 -22.54 14.96 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 120.647 -0.421 . . . . 0.0 110.736 -179.426 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 86' ' ' ALA . . . . . 0.433 ' HB2' HG13 ' B' ' 39' ' ' VAL . . . -71.88 -43.69 65.0 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.289 0.566 . . . . 0.0 110.387 -178.018 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 87' ' ' LEU . . . . . 0.483 HD12 ' N ' ' B' ' 88' ' ' VAL . 1.0 OUTLIER -82.29 -20.53 37.31 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.34 -0.845 . . . . 0.0 112.937 -171.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 88' ' ' VAL . . . . . 0.483 ' N ' HD12 ' B' ' 87' ' ' LEU . 22.5 m -90.47 -22.3 6.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 C-N-CA 120.253 -0.579 . . . . 0.0 110.514 176.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 89' ' ' HIS . . . . . . . . . . . . . 64.7 t60 -68.43 -38.51 81.26 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.99 178.087 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 90' ' ' VAL . . . . . 0.412 ' HB ' ' CD1' ' A' ' 96' ' ' ILE . 31.5 m -65.97 -27.63 41.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.77 -175.462 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 91' ' ' LEU . . . . . 0.648 ' HA ' ' HB3' ' B' ' 94' ' ' ALA . 2.6 mm? -62.96 -21.94 66.45 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.611 -0.268 . . . . 0.0 111.122 -179.396 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 22.7 t -65.06 -26.59 68.31 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.808 0.337 . . . . 0.0 110.646 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . 0.46 ' HB2' HG12 ' A' ' 99' ' ' VAL . 21.8 m -117.58 7.64 12.69 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.401 0.619 . . . . 0.0 110.344 179.412 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 94' ' ' ALA . . . . . 0.648 ' HB3' ' HA ' ' B' ' 91' ' ' LEU . . . -106.06 104.01 13.62 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.824 -177.852 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 26.6 t -80.94 92.92 6.23 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.118 0.485 . . . . 0.0 110.077 178.56 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 96' ' ' ILE . . . . . 0.688 HD13 ' HB1' ' A' ' 47' ' ' ALA . 13.6 tt -69.02 146.21 12.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.25 178.746 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 97' ' ' GLY . . . . . . . . . . . . . . . -95.05 -94.81 1.69 Allowed Glycine 0 N--CA 1.448 -0.541 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.243 178.428 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 98' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -137.08 115.69 12.03 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.805 0.336 . . . . 0.0 110.793 179.558 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 99' ' ' VAL . . . . . 0.536 HG11 ' HA ' ' A' ' 90' ' ' VAL . 2.6 m -98.3 131.66 44.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-O 121.12 0.486 . . . . 0.0 111.377 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 100' ' ' SER . . . . . . . . . . . . . 18.2 m -91.45 152.63 20.29 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.944 178.085 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 11.4 p -84.24 7.02 20.5 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.111 0.481 . . . . 0.0 111.375 -179.292 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 44.9 t -104.43 117.07 49.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.428 -176.507 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . 124.97 -10.59 7.86 Favored Glycine 0 N--CA 1.45 -0.371 0 CA-C-N 115.878 -0.601 . . . . 0.0 112.211 177.658 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 104' ' ' VAL . . . . . . . . . . . . . 24.1 t -59.51 -33.05 50.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.848 0.356 . . . . 0.0 110.15 179.01 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -49.37 -46.43 47.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.262 -0.881 . . . . 0.0 110.762 177.012 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 44.7 m -75.39 -37.95 60.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.514 -177.54 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 22.5 m -59.58 -34.78 73.14 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-O 121.364 0.602 . . . . 0.0 110.623 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 108' ' ' LEU . . . . . 0.499 HD21 HG21 ' A' ' 39' ' ' VAL . 4.6 mt -64.54 -22.87 67.09 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.457 -0.792 . . . . 0.0 111.66 179.43 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 109' ' ' ASN . . . . . 0.507 ' N ' HD22 ' B' ' 109' ' ' ASN . 0.8 OUTLIER -72.01 -24.17 61.52 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.226 0.536 . . . . 0.0 109.852 177.974 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 110' ' ' VAL . . . . . . . . . . . . . 25.0 t -85.05 -40.08 14.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.893 -177.287 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 111' ' ' VAL . . . . . 0.464 HG12 ' O ' ' B' ' 108' ' ' LEU . 10.0 p -61.55 -33.53 57.56 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.316 0 CA-C-O 121.0 0.428 . . . . 0.0 110.709 -178.167 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 112' ' ' GLN . . . . . 0.494 ' HG3' ' O ' ' B' ' 108' ' ' LEU . 24.5 mt-30 -66.29 -30.52 70.96 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-O 121.514 0.673 . . . . 0.0 110.283 -179.309 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 113' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -74.54 -27.37 60.49 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 114.741 -1.118 . . . . 0.0 110.894 -173.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 4.3 m -87.39 -41.64 13.44 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.488 -0.778 . . . . 0.0 111.727 -173.022 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 115' ' ' VAL . . . . . 0.658 HG11 HD22 ' A' ' 81' ' ' LEU . 14.9 p -107.77 -21.33 5.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 120.87 0.366 . . . . 0.0 111.7 -171.699 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 116' ' ' GLY . . . . . . . . . . . . . . . -62.32 -17.32 56.1 Favored Glycine 0 CA--C 1.519 0.311 0 CA-C-N 116.283 -0.417 . . . . 0.0 113.466 -175.285 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 117' ' ' GLN . . . . . 0.421 HE21 ' HB2' ' B' ' 117' ' ' GLN . 0.0 OUTLIER -92.14 -0.47 57.44 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.769 0.318 . . . . 0.0 111.356 -179.38 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 118' ' ' TYR . . . . . . . . . . . . . 72.8 m-85 -113.86 -30.13 6.84 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.957 178.356 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 119' ' ' VAL . . . . . 0.448 ' O ' ' HB3' ' A' ' 22' ' ' SER . 28.0 m -88.18 -5.32 10.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.714 -179.792 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.919 0 CA-C-O 118.636 -1.091 . . . . 0.0 111.886 -179.202 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.699 0 N-CA-C 112.225 -0.35 . . . . 0.0 112.225 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 12.0 p -82.51 -70.31 0.56 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.762 0.315 . . . . 0.0 110.903 -178.607 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . 91.72 133.21 5.89 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.894 -0.669 . . . . 0.0 112.351 178.403 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' -2' ' ' ASN . . . . . . . . . . . . . 18.0 m120 -145.02 109.69 5.0 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.854 -0.424 . . . . 0.0 109.854 179.701 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . 0.461 ' HA ' ' O ' ' B' ' 2' ' ' THR . 20.3 m -99.57 101.48 12.71 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.016 0.436 . . . . 0.0 110.451 179.586 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 39.5 t -118.3 -84.63 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.748 -179.012 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 11.0 p -132.54 136.83 46.86 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.702 0.287 . . . . 0.0 111.288 -178.584 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.1 p -106.91 -166.1 1.14 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.217 -178.612 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -160.28 -134.34 1.65 Allowed Glycine 0 N--CA 1.448 -0.528 0 C-N-CA 121.174 -0.536 . . . . 0.0 111.953 -179.087 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -81.91 54.87 4.88 Favored Glycine 0 CA--C 1.519 0.285 0 C-N-CA 121.27 -0.49 . . . . 0.0 112.954 -176.492 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 10.4 p90 -157.62 -167.51 2.29 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 110.052 -0.351 . . . . 0.0 110.052 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 95.09 -79.51 0.86 Allowed Glycine 0 N--CA 1.448 -0.516 0 N-CA-C 111.355 -0.698 . . . . 0.0 111.355 -179.407 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 63.0 m-85 -95.88 -56.51 2.64 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.144 0.497 . . . . 0.0 109.671 174.782 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -92.27 69.55 1.8 Allowed Glycine 0 N--CA 1.447 -0.596 0 CA-C-N 115.468 -0.787 . . . . 0.0 112.239 -174.648 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 75.4 p -94.03 -36.34 12.17 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.458 0.647 . . . . 0.0 110.157 177.752 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 50.7 m -156.01 -172.46 4.12 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.204 -0.907 . . . . 0.0 108.845 179.014 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -75.33 87.7 2.54 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.111 0.481 . . . . 0.0 110.63 177.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -90.18 168.1 12.2 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.52 179.213 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.47 143.89 46.45 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.156 178.464 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.403 ' O ' ' HA3' ' A' ' 25' ' ' GLY . . . -56.37 84.36 0.01 OUTLIER Glycine 0 C--O 1.224 -0.491 0 O-C-N 123.756 0.66 . . . . 0.0 113.758 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -165.85 90.54 0.46 Allowed 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 178.207 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 74.81 28.6 62.58 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.377 -0.916 . . . . 0.0 111.406 -170.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.416 ' H ' HG22 ' A' ' 18' ' ' VAL . 0.9 OUTLIER -69.07 -37.48 76.97 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.304 0 CA-C-O 121.036 0.446 . . . . 0.0 111.356 -179.537 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.435 ' HB3' ' HB2' ' A' ' 22' ' ' SER . . . -128.88 -176.2 3.78 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.991 -0.55 . . . . 0.0 109.745 178.479 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -70.95 -44.76 65.4 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.212 -177.284 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -136.74 25.32 3.1 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.929 -0.653 . . . . 0.0 111.595 -179.078 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.435 ' HB2' ' HB3' ' A' ' 19' ' ' ALA . 16.0 m -136.07 125.48 24.98 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.369 -0.416 . . . . 0.0 110.591 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -148.04 123.48 10.35 Favored 'General case' 0 N--CA 1.449 -0.489 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 179.789 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -80.86 -21.98 40.26 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.64 -175.678 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.403 ' HA3' ' O ' ' A' ' 15' ' ' GLY . . . -59.01 -30.86 67.38 Favored Glycine 0 C--N 1.329 0.152 0 C-N-CA 121.255 -0.498 . . . . 0.0 112.591 -178.745 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.545 ' HB1' ' HB2' ' A' ' 78' ' ' GLN . . . -71.28 -16.15 62.46 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.93 0.395 . . . . 0.0 110.892 179.098 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.43 HG22 ' CD1' ' A' ' 81' ' ' LEU . 3.3 t -95.05 -41.41 11.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.002 -174.612 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 21.6 m-80 -68.25 -17.86 64.4 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-O 121.222 0.534 . . . . 0.0 110.692 -177.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 79.1 ttt180 -78.78 -9.03 59.3 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.161 -177.384 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.676 ' HB3' HD12 ' B' ' 108' ' ' LEU . 54.3 mt -77.11 -24.38 51.73 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.954 -173.648 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 16.6 p -77.85 0.72 22.84 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.096 0.474 . . . . 0.0 110.855 -178.251 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 35.9 t -87.67 166.68 14.49 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.747 176.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.08 -16.21 63.74 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.188 -179.181 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -55.38 -58.01 9.49 Favored 'General case' 0 CA--C 1.519 -0.237 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.892 179.344 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.617 ' O ' HG23 ' A' ' 39' ' ' VAL . . . -61.27 -54.62 41.73 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.028 -179.208 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -54.41 -28.94 47.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.736 -176.365 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 71.3 m -75.35 -18.37 60.0 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 112.332 0.493 . . . . 0.0 112.332 178.662 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.586 ' HD2' ' OE1' ' A' ' 82' ' ' GLU . 62.1 mtt180 -104.85 -47.31 4.06 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.441 0.638 . . . . 0.0 109.87 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.617 HG23 ' O ' ' A' ' 35' ' ' ALA . 42.9 t -55.6 -51.31 59.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 114.769 -1.105 . . . . 0.0 111.152 -178.8 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.9 m -70.76 -9.83 58.18 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.379 -177.247 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 46.1 t -91.11 -10.62 41.28 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.0 0.429 . . . . 0.0 110.221 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 41.0 m-80 -120.83 -1.0 10.01 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.345 -176.142 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.488 HG13 ' N ' ' A' ' 44' ' ' ALA . 4.1 pt -59.59 -40.28 81.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.97 0.414 . . . . 0.0 110.949 177.576 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.488 ' N ' HG13 ' A' ' 43' ' ' ILE . . . -78.26 -12.85 60.03 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.117 -177.167 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -81.31 -52.02 7.75 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.251 0.548 . . . . 0.0 110.313 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 32.9 mt -66.45 -32.71 59.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.299 -179.636 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.773 ' HB1' HD13 ' B' ' 96' ' ' ILE . . . -65.68 -18.84 65.62 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.254 178.542 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 42.0 t -98.99 -47.04 5.39 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.058 -177.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -90.2 -22.57 34.75 Favored Glycine 0 CA--C 1.519 0.32 0 C-N-CA 120.679 -0.772 . . . . 0.0 113.36 -176.245 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 73.24 -77.96 0.83 Allowed Glycine 0 N--CA 1.45 -0.42 0 N-CA-C 111.597 -0.601 . . . . 0.0 111.597 -178.368 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -114.84 -26.57 7.75 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-O 121.189 0.519 . . . . 0.0 110.295 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 16.3 m -71.66 -11.67 60.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.6 -178.656 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -88.1 -18.32 29.1 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.741 -179.257 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.467 HD11 HG11 ' B' ' 88' ' ' VAL . 32.7 mt -54.8 -56.51 26.63 Favored Pre-proline 0 C--N 1.327 -0.389 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.947 -177.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.46 ' HD2' ' N ' ' A' ' 54' ' ' LEU . 19.2 Cg_endo -60.99 -21.71 72.3 Favored 'Trans proline' 0 C--N 1.352 0.751 0 C-N-CA 122.104 1.869 . . . . 0.0 112.544 -178.629 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 19.3 m -87.39 -45.3 10.67 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.921 0.391 . . . . 0.0 110.797 179.598 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 73.2 t -75.55 -42.68 42.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.499 -172.057 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.523 HG12 HD22 ' A' ' 83' ' ' LEU . 60.7 mt -58.45 -40.79 79.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.384 177.768 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 8.6 t -70.19 -36.7 74.8 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.175 -178.321 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -59.44 -51.52 69.55 Favored 'General case' 0 CA--C 1.52 -0.209 0 CA-C-O 121.397 0.618 . . . . 0.0 110.334 177.477 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.466 ' O ' HG23 ' A' ' 65' ' ' VAL . 52.1 mt -72.08 -43.49 66.87 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 115.199 -0.909 . . . . 0.0 111.293 -176.384 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.442 ' O ' HG23 ' A' ' 66' ' ' VAL . 51.5 t80 -54.65 -52.73 61.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.792 -178.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 33.5 t -58.94 -33.83 71.05 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.565 179.731 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -70.28 -38.58 71.45 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.983 -0.627 . . . . 0.0 112.091 -179.112 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.749 HG12 HG11 ' A' ' 70' ' ' VAL . 46.5 t -74.34 -45.12 47.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-O 120.732 0.301 . . . . 0.0 110.845 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.442 HG23 ' O ' ' A' ' 62' ' ' TYR . 86.2 t -59.63 -37.37 70.37 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.309 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.159 -178.709 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.5 -16.13 53.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.697 -179.754 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 16.9 t -77.51 -19.82 55.24 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.841 0.353 . . . . 0.0 110.883 -179.339 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 102.13 33.92 4.44 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.415 -178.556 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.749 HG11 HG12 ' A' ' 65' ' ' VAL . 14.9 p -97.79 159.83 3.14 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 N-CA-C 110.065 -0.346 . . . . 0.0 110.065 179.387 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 40.1 t -68.52 157.5 35.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.526 0.203 . . . . 0.0 110.528 178.217 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 13.0 m -56.39 -53.73 53.94 Favored 'General case' 0 CA--C 1.532 0.275 0 N-CA-C 112.29 0.478 . . . . 0.0 112.29 -174.18 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 24.3 t-20 -75.86 -35.5 59.89 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.624 -0.43 . . . . 0.0 110.89 -176.036 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -63.47 -31.96 73.27 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.225 0.536 . . . . 0.0 109.582 177.534 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.628 ' HB2' HG13 ' A' ' 70' ' ' VAL . . . -66.36 -45.31 80.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.62 174.093 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.424 HD23 ' HB3' ' A' ' 118' ' ' TYR . 2.9 tm? -53.56 -46.73 70.37 Favored 'General case' 0 CA--C 1.519 -0.234 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.76 177.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.772 ' O ' ' HG ' ' A' ' 81' ' ' LEU . 38.4 mm -60.15 -58.56 6.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.018 178.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . 0.545 ' HB2' ' HB1' ' A' ' 26' ' ' ALA . 51.2 tt0 -57.63 -48.69 78.75 Favored 'General case' 0 N--CA 1.461 0.094 0 CA-C-O 120.773 0.32 . . . . 0.0 111.355 -177.884 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.04 -33.02 72.64 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.234 -178.536 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.549 ' O ' HD23 ' A' ' 84' ' ' LEU . 6.3 mt -71.88 -39.83 69.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.863 0.363 . . . . 0.0 110.501 175.149 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.772 ' HG ' ' O ' ' A' ' 77' ' ' ILE . 48.6 mt -63.72 -36.66 84.58 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.019 0.438 . . . . 0.0 110.512 178.576 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.586 ' OE1' ' HD2' ' A' ' 38' ' ' ARG . 50.8 mt-10 -74.53 -13.22 60.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.764 175.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.523 HD22 HG12 ' A' ' 58' ' ' ILE . 23.3 tp -88.31 -44.09 11.06 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.052 0.453 . . . . 0.0 110.559 174.784 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.565 HD21 HD21 ' B' ' 84' ' ' LEU . 4.5 mm? -67.13 -2.84 6.19 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.569 -0.742 . . . . 0.0 111.894 -176.235 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.2 p -101.77 -28.34 12.51 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.029 177.729 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -72.64 -47.3 48.74 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.468 0.652 . . . . 0.0 110.585 -177.501 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.464 HD12 ' N ' ' A' ' 88' ' ' VAL . 1.0 OUTLIER -77.34 -17.13 58.52 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.267 -0.879 . . . . 0.0 112.695 -172.642 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.464 ' N ' HD12 ' A' ' 87' ' ' LEU . 16.9 m -90.5 -26.47 5.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 C-N-CA 120.479 -0.488 . . . . 0.0 110.711 177.606 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 45.7 t60 -68.55 -36.01 78.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.112 179.239 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 25.0 m -65.02 -26.75 40.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.17 -176.466 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.615 ' HA ' ' HB3' ' A' ' 94' ' ' ALA . 3.2 mm? -65.69 -23.9 66.88 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 120.659 0.266 . . . . 0.0 111.344 -179.278 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 32.3 t -61.28 -31.72 71.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.266 0.555 . . . . 0.0 110.071 178.45 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.584 ' HB2' HG12 ' B' ' 99' ' ' VAL . 49.4 m -106.31 -23.82 12.45 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.796 -179.119 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.615 ' HB3' ' HA ' ' A' ' 91' ' ' LEU . . . -74.55 103.96 5.07 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-N 115.56 -0.745 . . . . 0.0 111.243 -178.791 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 4.5 p -77.0 86.73 3.52 Favored 'General case' 0 N--CA 1.419 -1.983 0 CA-C-N 115.265 -0.88 . . . . 0.0 110.452 176.757 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.759 HD13 ' HB1' ' B' ' 47' ' ' ALA . 21.0 tt -70.33 148.15 11.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.912 -179.671 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -97.41 -100.58 2.05 Favored Glycine 0 N--CA 1.447 -0.593 0 C-N-CA 120.833 -0.699 . . . . 0.0 111.879 178.501 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -130.62 125.69 34.73 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.873 -0.417 . . . . 0.0 109.873 179.223 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.52 ' CG1' HD11 ' A' ' 96' ' ' ILE . 4.7 m -106.81 132.17 54.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-O 121.054 0.455 . . . . 0.0 111.233 -178.782 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 21.2 m -87.53 148.36 24.94 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.455 178.777 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 54.4 m -85.0 24.37 1.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.173 0.511 . . . . 0.0 110.651 178.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 60.1 t -117.85 131.42 70.63 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.469 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.918 -176.608 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 103.22 -10.53 54.73 Favored Glycine 0 N--CA 1.45 -0.414 0 CA-C-N 115.871 -0.604 . . . . 0.0 112.624 177.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.404 ' O ' HD12 ' A' ' 108' ' ' LEU . 22.0 t -57.71 -34.67 48.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 176.622 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -48.9 -48.23 42.62 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 114.888 -1.051 . . . . 0.0 111.009 175.296 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 22.2 m -81.1 -28.05 35.37 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.327 -0.851 . . . . 0.0 111.312 -175.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 28.4 m -62.75 -36.33 82.7 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.158 0.504 . . . . 0.0 110.083 176.093 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.562 ' O ' ' HG3' ' A' ' 112' ' ' GLN . 2.3 mt -61.94 -25.33 67.53 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.541 -0.754 . . . . 0.0 111.531 178.489 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . 0.482 HD22 ' N ' ' A' ' 109' ' ' ASN . 0.8 OUTLIER -69.08 -25.53 64.48 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.192 0.52 . . . . 0.0 110.26 178.118 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 41.6 t -85.81 -38.67 13.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.109 -176.156 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.509 HG12 ' O ' ' A' ' 108' ' ' LEU . 8.0 p -62.97 -26.03 39.97 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.396 0 CA-C-O 121.399 0.619 . . . . 0.0 110.651 -177.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . 0.562 ' HG3' ' O ' ' A' ' 108' ' ' LEU . 24.6 mt-30 -70.53 -21.13 62.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.103 -178.622 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -84.18 -32.78 24.4 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.531 -173.163 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . 0.403 ' HB2' HD12 ' A' ' 58' ' ' ILE . 16.8 p -80.58 -46.2 16.11 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.618 -0.719 . . . . 0.0 112.084 -172.456 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 10.5 p -105.69 -18.07 7.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-O 120.96 0.409 . . . . 0.0 111.289 -172.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -56.11 -27.51 51.96 Favored Glycine 0 CA--C 1.519 0.333 0 CA-C-N 116.121 -0.491 . . . . 0.0 113.117 -179.792 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -88.37 4.95 44.37 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 111.756 0.28 . . . . 0.0 111.756 -178.432 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . 0.424 ' HB3' HD23 ' A' ' 76' ' ' LEU . 65.2 m-85 -117.32 -27.8 6.32 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.259 0.552 . . . . 0.0 110.085 177.417 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.435 ' O ' ' HB3' ' B' ' 22' ' ' SER . 26.8 m -87.56 -1.45 8.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.256 173.375 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.497 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.994 179.22 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.416 0 N-CA-C 111.901 -0.48 . . . . 0.0 111.901 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' -4' ' ' SER . . . . . . . . . . . . . 16.5 m -80.31 -25.3 39.41 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.819 0.342 . . . . 0.0 110.581 -179.569 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' -3' ' ' GLY . . . . . . . . . . . . . . . 140.11 90.69 0.19 Allowed Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.513 178.002 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' -2' ' ' ASN . . . . . 0.441 ' C ' HD22 ' B' ' -2' ' ' ASN . 0.2 OUTLIER -103.98 67.41 0.87 Allowed 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 178.363 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' -1' ' ' SER . . . . . . . . . . . . . 37.2 m -83.18 116.1 22.22 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.708 -178.172 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 2.5 m -151.62 -170.8 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.749 179.484 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 2' ' ' THR . . . . . 0.461 ' O ' ' HA ' ' A' ' -1' ' ' SER . 0.9 OUTLIER -77.76 151.52 34.02 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.811 0.339 . . . . 0.0 110.717 175.765 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 11.3 p -116.99 149.41 40.29 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.104 -178.759 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -104.79 -156.03 23.09 Favored Glycine 0 N--CA 1.451 -0.311 0 CA-C-N 115.977 -0.556 . . . . 0.0 112.354 179.318 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -81.36 75.85 2.25 Favored Glycine 0 CA--C 1.519 0.324 0 C-N-CA 121.019 -0.61 . . . . 0.0 113.048 -176.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 6' ' ' TYR . . . . . . . . . . . . . 11.0 p90 -153.49 -168.64 3.06 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.824 -0.436 . . . . 0.0 109.824 177.784 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . 91.7 -74.18 1.55 Allowed Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.58 176.385 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 8' ' ' TYR . . . . . 0.447 ' HB3' ' O ' ' B' ' 17' ' ' GLY . 63.0 m-85 -65.46 -68.55 0.36 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.975 0.417 . . . . 0.0 110.898 -179.305 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -134.55 83.01 0.29 Allowed Glycine 0 N--CA 1.445 -0.734 0 C-N-CA 120.87 -0.681 . . . . 0.0 111.697 -179.508 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 76.3 p -63.17 -43.83 97.15 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.227 0.537 . . . . 0.0 110.081 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 19.9 m -110.13 167.0 10.51 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.319 -0.855 . . . . 0.0 108.871 173.341 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -74.16 95.01 2.52 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.07 0.462 . . . . 0.0 110.326 177.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -107.74 -170.14 1.64 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.407 -179.608 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.13 121.97 11.31 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.512 178.078 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . -57.99 88.35 0.02 OUTLIER Glycine 0 C--O 1.221 -0.701 0 CA-C-N 115.886 -0.597 . . . . 0.0 113.81 -178.694 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -161.1 96.29 1.09 Allowed 'General case' 0 C--N 1.316 -0.86 0 N-CA-C 108.393 -0.966 . . . . 0.0 108.393 176.126 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 17' ' ' GLY . . . . . 0.447 ' O ' ' HB3' ' B' ' 8' ' ' TYR . . . 66.64 37.67 92.66 Favored Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 120.277 -0.963 . . . . 0.0 110.911 -169.082 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -82.06 -50.22 16.52 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.242 0 CA-C-O 120.975 0.417 . . . . 0.0 111.302 -178.443 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 19' ' ' ALA . . . . . 0.511 ' HB3' ' HB2' ' B' ' 22' ' ' SER . . . -111.09 177.2 4.74 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 116.031 -0.531 . . . . 0.0 109.697 178.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.02 -45.51 91.97 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.589 -0.278 . . . . 0.0 110.919 -179.242 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -132.04 11.12 5.37 Favored Glycine 0 CA--C 1.51 -0.225 0 C-N-CA 120.552 -0.832 . . . . 0.0 112.494 -177.6 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 22' ' ' SER . . . . . 0.511 ' HB2' ' HB3' ' B' ' 19' ' ' ALA . 10.8 m -122.33 123.85 42.35 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-O 120.869 0.366 . . . . 0.0 110.998 -177.611 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 23' ' ' TYR . . . . . 0.566 ' CE1' ' HA ' ' B' ' 74' ' ' GLU . 0.1 OUTLIER -148.37 127.38 12.78 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.881 -0.599 . . . . 0.0 109.619 179.25 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -88.27 -19.91 26.16 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 112.279 0.474 . . . . 0.0 112.279 -174.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.41 -30.81 78.88 Favored Glycine 0 CA--C 1.51 -0.229 0 C-N-CA 121.087 -0.578 . . . . 0.0 112.069 -179.554 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 26' ' ' ALA . . . . . 0.486 ' HB1' ' HB2' ' B' ' 78' ' ' GLN . . . -66.79 -20.37 65.93 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.274 0.559 . . . . 0.0 110.334 176.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . 0.41 ' CG1' ' HA ' ' A' ' 112' ' ' GLN . 2.3 t -89.92 -44.73 15.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.302 -0.863 . . . . 0.0 109.843 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 62.3 m-20 -66.97 -26.89 67.04 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.658 -176.307 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 78.1 ttt180 -73.88 -9.17 58.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.626 -0.716 . . . . 0.0 111.087 -178.787 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . 0.726 HD11 ' HB3' ' B' ' 81' ' ' LEU . 79.1 mt -69.74 -21.95 63.41 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.029 0.443 . . . . 0.0 111.047 -178.865 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 61.0 p -75.78 -9.89 58.98 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.618 -179.658 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 69.1 m -78.19 152.28 32.77 Favored 'General case' 0 N--CA 1.442 -0.864 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.879 178.119 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.33 -19.48 55.5 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.901 -0.591 . . . . 0.0 111.149 178.76 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -51.64 -57.14 10.01 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.54 177.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 35' ' ' ALA . . . . . 0.639 ' O ' HG23 ' B' ' 39' ' ' VAL . . . -61.31 -54.93 37.61 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.939 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.7 -35.42 31.08 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.958 -175.502 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 29.9 m -73.66 -17.12 61.18 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.965 -177.278 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 38' ' ' ARG . . . . . 0.429 ' HD2' ' OE1' ' B' ' 82' ' ' GLU . 57.2 mtt180 -100.07 -52.51 3.39 Favored 'General case' 0 CA--C 1.514 -0.438 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 178.487 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . 0.639 HG23 ' O ' ' B' ' 35' ' ' ALA . 21.5 t -56.7 -37.79 54.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 114.25 -1.341 . . . . 0.0 111.853 -174.814 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 78.0 p -74.38 -8.47 56.36 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-O 120.854 0.359 . . . . 0.0 111.41 -178.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 19.0 t -98.61 -6.09 30.59 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.49 0.662 . . . . 0.0 109.413 177.543 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 14.7 m120 -102.86 -25.57 13.45 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.256 -0.884 . . . . 0.0 109.824 -176.319 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 43' ' ' ILE . . . . . 0.545 HG13 ' N ' ' B' ' 44' ' ' ALA . 7.1 pt -53.7 -44.95 60.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 114.98 -1.009 . . . . 0.0 112.367 -175.667 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . 0.545 ' N ' HG13 ' B' ' 43' ' ' ILE . . . -78.01 -14.87 59.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.971 0.415 . . . . 0.0 110.983 -174.255 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -83.28 -49.66 9.18 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.224 0.535 . . . . 0.0 110.103 -179.608 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 46' ' ' ILE . . . . . 0.405 HG21 ' HB3' ' B' ' 87' ' ' LEU . 50.1 mt -66.58 -34.66 71.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.303 179.332 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . 0.759 ' HB1' HD13 ' A' ' 96' ' ' ILE . . . -63.63 -25.81 68.39 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.564 179.56 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 23.0 t -91.32 -36.52 13.8 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.456 -176.102 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -104.13 -19.26 11.88 Favored Glycine 0 CA--C 1.519 0.31 0 C-N-CA 120.461 -0.876 . . . . 0.0 113.628 -174.579 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 75.47 -79.18 1.09 Allowed Glycine 0 N--CA 1.449 -0.494 0 N-CA-C 111.571 -0.612 . . . . 0.0 111.571 179.607 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -117.46 -17.92 9.93 Favored 'General case' 0 C--N 1.314 -0.937 0 CA-C-O 121.19 0.519 . . . . 0.0 110.185 179.554 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 11.2 t -77.37 -6.65 54.1 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.808 -177.74 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -96.67 -18.37 19.73 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.846 179.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 54' ' ' LEU . . . . . 0.453 HD11 HG11 ' A' ' 88' ' ' VAL . 54.9 mt -53.16 -56.79 20.38 Favored Pre-proline 0 CA--C 1.535 0.398 0 CA-C-N 115.844 -0.616 . . . . 0.0 112.137 -176.513 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 55' ' ' PRO . . . . . 0.439 ' HD2' ' N ' ' B' ' 54' ' ' LEU . 27.8 Cg_endo -63.8 -11.09 25.05 Favored 'Trans proline' 0 C--N 1.354 0.846 0 C-N-CA 122.277 1.985 . . . . 0.0 113.044 -176.41 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 70.4 m -100.14 -41.84 6.96 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.789 0.328 . . . . 0.0 111.12 177.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 90.5 t -76.67 -39.66 32.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.33 -173.476 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 58' ' ' ILE . . . . . 0.509 HG12 ' HG ' ' B' ' 83' ' ' LEU . 69.6 mt -60.49 -38.89 79.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 115.861 -0.609 . . . . 0.0 109.954 176.639 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 9.5 t -69.09 -34.97 75.95 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.058 -179.108 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 96.2 m-20 -63.32 -50.29 70.63 Favored 'General case' 0 CA--C 1.52 -0.182 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.682 177.391 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . 0.448 ' O ' HG23 ' B' ' 65' ' ' VAL . 52.1 mt -71.56 -46.34 63.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.646 -176.381 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 62' ' ' TYR . . . . . 0.461 ' O ' HG23 ' B' ' 66' ' ' VAL . 58.7 t80 -55.44 -54.0 49.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.641 -0.254 . . . . 0.0 110.908 -176.523 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 47.3 m -58.13 -33.6 69.33 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.825 178.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -67.97 -40.67 88.8 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.914 -0.66 . . . . 0.0 111.88 179.37 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 65' ' ' VAL . . . . . 0.634 HG12 HG11 ' B' ' 70' ' ' VAL . 59.7 t -72.59 -43.35 62.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-O 120.75 0.31 . . . . 0.0 111.058 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 66' ' ' VAL . . . . . 0.461 HG23 ' O ' ' B' ' 62' ' ' TYR . 89.7 t -61.67 -42.66 95.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.53 -0.304 . . . . 0.0 111.201 -178.628 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -71.13 -6.93 43.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.562 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 68' ' ' SER . . . . . 0.464 ' HB3' ' O ' ' B' ' 65' ' ' VAL . 38.5 t -81.33 -27.44 34.98 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.959 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 108.82 28.96 4.28 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.357 -0.925 . . . . 0.0 112.347 -176.745 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.634 HG11 HG12 ' B' ' 65' ' ' VAL . 13.3 p -80.06 159.95 4.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 176.34 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 32.9 t -67.34 151.39 47.55 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.101 -0.703 . . . . 0.0 109.101 174.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 12.5 p -54.59 -65.28 0.6 Allowed 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 113.144 0.794 . . . . 0.0 113.144 -169.642 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -73.97 -19.77 60.56 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.129 0.49 . . . . 0.0 110.197 -176.284 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 74' ' ' GLU . . . . . 0.566 ' HA ' ' CE1' ' B' ' 23' ' ' TYR . 43.9 tt0 -70.83 -29.46 65.61 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.549 -0.751 . . . . 0.0 110.37 178.438 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -56.08 -39.54 72.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.448 -0.796 . . . . 0.0 111.293 178.602 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 76' ' ' LEU . . . . . 0.5 HD23 ' HB3' ' B' ' 118' ' ' TYR . 2.6 tm? -56.8 -45.77 82.0 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.007 179.414 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 77' ' ' ILE . . . . . 0.686 ' O ' ' HG ' ' B' ' 81' ' ' LEU . 43.4 mm -63.5 -58.03 9.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.013 -177.017 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 78' ' ' GLN . . . . . 0.486 ' HB2' ' HB1' ' B' ' 26' ' ' ALA . 24.8 tt0 -58.06 -44.88 87.72 Favored 'General case' 0 N--CA 1.465 0.311 0 C-N-CA 121.069 -0.252 . . . . 0.0 111.299 -179.478 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -59.77 -40.09 87.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.966 -179.68 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 80' ' ' LEU . . . . . 0.517 ' O ' HD23 ' B' ' 84' ' ' LEU . 5.7 mt -72.58 -40.52 66.53 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.093 178.721 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . 0.726 ' HB3' HD11 ' B' ' 30' ' ' LEU . 92.9 mt -60.04 -41.86 93.19 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 120.876 0.369 . . . . 0.0 110.779 179.709 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 82' ' ' GLU . . . . . 0.429 ' OE1' ' HD2' ' B' ' 38' ' ' ARG . 55.2 mt-10 -67.69 -31.62 71.72 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.686 175.645 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 83' ' ' LEU . . . . . 0.509 ' HG ' HG12 ' B' ' 58' ' ' ILE . 3.5 tm? -68.99 -44.2 73.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.08 0.467 . . . . 0.0 109.801 177.798 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 84' ' ' LEU . . . . . 0.565 HD21 HD21 ' A' ' 84' ' ' LEU . 4.5 mm? -66.81 -10.64 49.9 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.65 -0.705 . . . . 0.0 111.833 -178.857 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 51.0 m -92.91 -29.41 15.92 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.974 0.416 . . . . 0.0 110.911 -177.032 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -72.16 -44.48 63.0 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.249 0.547 . . . . 0.0 110.843 -177.417 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 87' ' ' LEU . . . . . 0.469 HD12 ' N ' ' B' ' 88' ' ' VAL . 1.3 pp -78.03 -19.36 54.5 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.556 -0.747 . . . . 0.0 112.953 -171.809 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 88' ' ' VAL . . . . . 0.469 ' N ' HD12 ' B' ' 87' ' ' LEU . 16.3 m -89.49 -21.36 6.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 C-N-CA 120.097 -0.641 . . . . 0.0 110.498 176.548 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 89' ' ' HIS . . . . . . . . . . . . . 68.3 t60 -72.24 -34.25 68.14 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.251 178.238 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 90' ' ' VAL . . . . . 0.452 HG22 ' O ' ' B' ' 87' ' ' LEU . 22.8 m -66.27 -26.61 38.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.345 -175.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 91' ' ' LEU . . . . . 0.612 ' HA ' ' HB3' ' B' ' 94' ' ' ALA . 3.5 mm? -66.81 -20.57 65.96 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.908 0.385 . . . . 0.0 110.907 179.624 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 25.9 t -64.49 -24.83 67.75 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.494 179.458 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . 0.5 ' HB2' HG12 ' A' ' 99' ' ' VAL . 18.0 m -123.48 13.94 9.49 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-O 121.169 0.509 . . . . 0.0 110.662 178.625 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 94' ' ' ALA . . . . . 0.612 ' HB3' ' HA ' ' B' ' 91' ' ' LEU . . . -110.55 95.2 5.41 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.965 -179.19 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 13.3 m -71.3 90.45 0.93 Allowed 'General case' 0 N--CA 1.43 -1.449 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.216 175.416 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 96' ' ' ILE . . . . . 0.773 HD13 ' HB1' ' A' ' 47' ' ' ALA . 19.0 tt -66.78 142.29 16.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.875 -178.244 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 97' ' ' GLY . . . . . . . . . . . . . . . -89.51 -103.89 1.1 Allowed Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 121.027 -0.606 . . . . 0.0 112.29 178.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 98' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -128.22 113.48 15.74 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.888 0.375 . . . . 0.0 110.997 -178.006 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 99' ' ' VAL . . . . . 0.584 HG12 ' HB2' ' A' ' 93' ' ' SER . 9.9 m -98.01 154.45 3.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.384 176.441 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 100' ' ' SER . . . . . . . . . . . . . 29.5 m -129.17 151.12 50.19 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 116.261 -0.427 . . . . 0.0 109.898 179.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 16.1 p -83.89 22.03 1.21 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.024 0.44 . . . . 0.0 111.1 -178.677 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 47.6 t -109.09 113.07 43.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.544 -176.789 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . 112.73 -9.38 25.77 Favored Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.465 -0.874 . . . . 0.0 112.898 177.544 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 104' ' ' VAL . . . . . . . . . . . . . 48.3 t -58.97 -33.07 48.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.59 0.195 . . . . 0.0 110.651 179.325 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -48.52 -40.87 28.31 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-O 121.457 0.646 . . . . 0.0 110.324 178.786 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 22.7 m -72.96 -30.51 63.89 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 115.67 -0.695 . . . . 0.0 111.452 -179.436 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 21.9 m -70.27 -30.59 67.66 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-O 120.914 0.388 . . . . 0.0 110.299 -176.503 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 108' ' ' LEU . . . . . 0.676 HD12 ' HB3' ' A' ' 30' ' ' LEU . 4.2 mm? -57.45 -34.08 68.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.767 176.089 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 109' ' ' ASN . . . . . . . . . . . . . 14.7 m-80 -68.69 -23.43 64.38 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.185 -178.692 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 110' ' ' VAL . . . . . . . . . . . . . 38.7 t -84.81 -39.39 14.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.587 -178.303 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 111' ' ' VAL . . . . . 0.57 HG12 ' O ' ' B' ' 108' ' ' LEU . 7.7 p -64.0 -30.06 49.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 121.132 0.491 . . . . 0.0 110.274 -179.086 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 112' ' ' GLN . . . . . 0.523 ' HG3' ' O ' ' B' ' 108' ' ' LEU . 24.5 mt-30 -68.02 -24.06 65.07 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.686 178.894 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 113' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -82.32 -35.98 27.4 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.321 -0.854 . . . . 0.0 110.754 -175.252 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 12.1 m -78.85 -44.62 22.53 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.471 -0.786 . . . . 0.0 111.814 -172.372 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 115' ' ' VAL . . . . . 0.463 HG12 ' O ' ' B' ' 111' ' ' VAL . 10.4 p -108.39 -16.92 8.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 120.893 0.378 . . . . 0.0 111.374 -173.876 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 116' ' ' GLY . . . . . . . . . . . . . . . -62.36 -20.23 60.76 Favored Glycine 0 C--O 1.228 -0.251 0 C-N-CA 121.196 -0.526 . . . . 0.0 113.005 -178.251 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -93.92 7.38 45.21 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.675 0.274 . . . . 0.0 111.304 -179.73 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 118' ' ' TYR . . . . . 0.5 ' HB3' HD23 ' B' ' 76' ' ' LEU . 82.4 m-85 -118.42 -26.78 6.14 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.152 0.501 . . . . 0.0 110.271 176.428 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 119' ' ' VAL . . . . . 0.411 HG21 HG21 ' A' ' 27' ' ' VAL . 34.3 m -91.08 -1.98 10.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.831 174.846 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.009 0 CA-C-O 118.402 -1.221 . . . . 0.0 111.804 178.546 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.855 0 N-CA-C 111.579 -0.608 . . . . 0.0 111.579 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 20.1 m -75.98 90.5 3.0 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.251 0.548 . . . . 0.0 110.0 178.373 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . 89.8 98.16 1.1 Allowed Glycine 0 N--CA 1.443 -0.853 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.373 -175.45 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' -2' ' ' ASN . . . . . . . . . . . . . 87.5 m-20 -82.34 101.57 10.67 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.144 0.497 . . . . 0.0 110.544 -178.034 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 3.3 p -86.58 89.83 8.04 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.493 178.572 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 58.4 t -88.32 112.94 24.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 115.516 -0.766 . . . . 0.0 110.381 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 13.8 t -144.67 152.16 40.03 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.145 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.8 t -160.34 160.54 32.53 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.762 -0.459 . . . . 0.0 109.762 -175.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 166.23 162.79 18.47 Favored Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 120.906 -0.664 . . . . 0.0 111.79 -178.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 150.45 -172.93 30.18 Favored Glycine 0 N--CA 1.446 -0.647 0 C-N-CA 121.007 -0.616 . . . . 0.0 111.661 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.438 ' HA ' ' HA ' ' A' ' 10' ' ' THR . 23.6 p90 -147.63 -178.83 6.47 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.047 0.451 . . . . 0.0 111.228 178.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 151.26 -114.98 0.67 Allowed Glycine 0 N--CA 1.45 -0.401 0 N-CA-C 109.906 -1.278 . . . . 0.0 109.906 -175.774 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 60.7 m-85 -78.03 -45.56 23.32 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 108.299 -1.001 . . . . 0.0 108.299 166.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -91.5 98.39 2.43 Favored Glycine 0 N--CA 1.444 -0.791 0 N-CA-C 110.109 -1.196 . . . . 0.0 110.109 169.724 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.438 ' HA ' ' HA ' ' A' ' 6' ' ' TYR . 40.0 p -86.96 2.74 48.43 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 112.185 0.439 . . . . 0.0 112.185 -172.342 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 61.8 m -154.45 -168.8 3.03 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 -177.588 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -75.15 -16.78 60.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.286 0.565 . . . . 0.0 111.071 -178.121 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -77.45 93.28 4.08 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.502 -0.772 . . . . 0.0 109.921 175.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -84.59 85.46 7.42 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.046 -176.479 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.58 ' HA3' ' N ' ' A' ' 25' ' ' GLY . . . 139.57 -169.58 24.53 Favored Glycine 0 N--CA 1.443 -0.893 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.572 176.387 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.473 ' HA ' ' OE2' ' A' ' 74' ' ' GLU . . . 60.41 83.63 0.14 Allowed 'General case' 0 C--O 1.234 0.279 0 CA-C-O 121.434 0.635 . . . . 0.0 111.168 -179.063 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 72.19 48.5 25.22 Favored Glycine 0 N--CA 1.448 -0.525 0 CA-C-N 115.556 -0.747 . . . . 0.0 112.442 -177.266 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.477 ' CG2' ' HA ' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -90.7 -66.31 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 120.817 0.342 . . . . 0.0 110.863 176.345 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.433 ' H ' HG23 ' A' ' 18' ' ' VAL . . . -104.39 175.14 5.59 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 178.091 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -75.06 -32.38 61.5 Favored 'General case' 0 C--N 1.322 -0.62 0 C-N-CA 121.115 -0.234 . . . . 0.0 111.007 -177.561 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -131.25 5.22 5.63 Favored Glycine 0 CA--C 1.52 0.399 0 C-N-CA 120.53 -0.843 . . . . 0.0 113.338 -178.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 22.9 m -132.65 138.81 47.46 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.943 0.372 . . . . 0.0 111.058 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.477 ' HA ' ' CG2' ' A' ' 18' ' ' VAL . 0.2 OUTLIER -153.14 124.38 7.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.413 -177.544 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -86.96 -19.79 28.25 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.813 0.34 . . . . 0.0 111.002 176.786 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.58 ' N ' ' HA3' ' A' ' 15' ' ' GLY . . . -61.18 -31.94 78.74 Favored Glycine 0 CA--C 1.511 -0.158 0 C-N-CA 121.176 -0.535 . . . . 0.0 112.306 -178.325 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.491 ' HB1' ' HB2' ' A' ' 78' ' ' GLN . . . -67.9 -20.69 65.13 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.209 0.528 . . . . 0.0 110.406 177.777 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.485 ' CG1' ' HA ' ' B' ' 112' ' ' GLN . 3.5 t -89.43 -42.67 14.55 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.486 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.332 -177.094 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.412 HD22 ' HA2' ' A' ' 25' ' ' GLY . 44.4 m-80 -63.96 -31.76 73.06 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.211 0.529 . . . . 0.0 110.286 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 -65.85 -18.85 65.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.475 -178.477 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.671 HD11 ' HB3' ' A' ' 81' ' ' LEU . 79.0 mt -63.24 -27.98 69.71 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.94 0.4 . . . . 0.0 111.801 -176.652 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 63.1 p -73.12 -6.81 48.15 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.0 -178.265 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 49.9 m -81.78 158.14 24.23 Favored 'General case' 0 N--CA 1.442 -0.847 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 177.113 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.25 -17.77 63.91 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 111.767 0.284 . . . . 0.0 111.767 -175.787 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -52.81 -58.11 7.99 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.963 179.127 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.646 ' O ' HG23 ' A' ' 39' ' ' VAL . . . -57.59 -57.72 11.46 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.729 179.595 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.13 -37.23 33.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.786 -176.418 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 22.1 t -70.07 -23.2 63.03 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.797 -177.759 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.446 ' HD2' ' OE1' ' A' ' 82' ' ' GLU . 61.7 mtt180 -96.2 -49.51 5.2 Favored 'General case' 0 CA--C 1.514 -0.434 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 -179.586 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.646 HG23 ' O ' ' A' ' 35' ' ' ALA . 39.0 t -57.78 -37.18 58.36 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-N 114.247 -1.342 . . . . 0.0 111.562 -176.516 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 69.4 p -73.93 -4.7 36.72 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-O 120.735 0.302 . . . . 0.0 111.633 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 19.6 t -100.66 -11.58 19.88 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.63 0.729 . . . . 0.0 109.499 176.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.444 ' HB3' HG11 ' A' ' 57' ' ' VAL . 11.5 m120 -96.43 -25.7 15.6 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.402 -0.817 . . . . 0.0 109.748 -175.831 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.559 HG13 ' N ' ' A' ' 44' ' ' ALA . 5.2 pt -57.11 -40.08 70.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 114.91 -1.041 . . . . 0.0 111.722 -176.802 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.559 ' N ' HG13 ' A' ' 43' ' ' ILE . . . -80.89 -1.56 43.91 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.798 0.332 . . . . 0.0 111.562 -175.379 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -104.01 -50.59 3.34 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.07 0.462 . . . . 0.0 110.525 178.789 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.494 HG21 ' HB3' ' A' ' 87' ' ' LEU . 50.3 mt -65.81 -33.85 66.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.698 -177.813 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.437 ' HB1' HD13 ' B' ' 96' ' ' ILE . . . -63.03 -23.43 67.45 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.979 -178.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 59.3 m -91.05 -33.39 15.52 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 112.367 0.506 . . . . 0.0 112.367 -175.48 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -112.47 -20.52 6.54 Favored Glycine 0 CA--C 1.517 0.187 0 C-N-CA 120.124 -1.036 . . . . 0.0 113.486 -175.097 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 76.21 -83.1 0.98 Allowed Glycine 0 N--CA 1.445 -0.766 0 N-CA-C 111.153 -0.779 . . . . 0.0 111.153 -178.037 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -106.95 -21.44 13.01 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-O 121.048 0.451 . . . . 0.0 110.568 -179.168 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 39.7 m -72.22 -9.48 58.51 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.136 -177.778 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.422 ' HB3' ' HA ' ' A' ' 46' ' ' ILE . . . -104.62 -9.7 18.07 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.081 -178.418 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.446 HD11 HG11 ' B' ' 88' ' ' VAL . 47.4 mt -57.74 -58.67 16.76 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.631 -176.155 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.413 ' HD2' ' N ' ' A' ' 54' ' ' LEU . 19.1 Cg_endo -61.28 -29.99 87.15 Favored 'Trans proline' 0 C--N 1.351 0.683 0 C-N-CA 121.803 1.669 . . . . 0.0 112.391 -177.787 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 13.6 m -76.57 -32.68 58.3 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.124 0.488 . . . . 0.0 111.061 -177.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.444 HG11 ' HB3' ' A' ' 42' ' ' ASN . 76.0 t -90.9 -39.83 12.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.782 -175.139 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.527 HG12 ' HG ' ' A' ' 83' ' ' LEU . 66.6 mt -59.37 -37.74 71.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.892 0.377 . . . . 0.0 110.33 177.327 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 47.1 t -62.93 -41.31 99.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.946 179.096 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 79.9 m-20 -62.37 -52.45 63.57 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.496 -0.775 . . . . 0.0 111.238 179.501 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.414 ' O ' HG23 ' A' ' 65' ' ' VAL . 44.7 mt -65.72 -46.89 87.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.912 -0.586 . . . . 0.0 111.378 -177.74 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.42 ' O ' HG23 ' A' ' 66' ' ' VAL . 53.8 t80 -57.18 -49.52 75.72 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.733 0.301 . . . . 0.0 110.684 -177.15 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 13.3 t -62.9 -30.13 71.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.474 179.758 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -72.27 -42.49 49.79 Favored Glycine 0 N--CA 1.452 -0.294 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.825 179.052 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.705 HG12 HG11 ' A' ' 70' ' ' VAL . 85.7 t -69.18 -44.79 80.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 115.488 -0.356 . . . . 0.0 111.138 -179.442 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.42 HG23 ' O ' ' A' ' 62' ' ' TYR . 80.2 t -60.17 -41.39 86.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.204 -179.429 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.0 -18.09 59.33 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.737 -179.699 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 45.2 t -72.63 -21.73 61.06 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.104 -179.058 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 96.81 39.06 4.22 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.506 -0.854 . . . . 0.0 111.832 -176.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.705 HG11 HG12 ' A' ' 65' ' ' VAL . 14.7 p -94.99 164.51 2.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 N-CA-C 109.917 -0.401 . . . . 0.0 109.917 178.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.417 ' N ' HG22 ' A' ' 70' ' ' VAL . 31.1 t -66.85 164.96 16.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.641 0.258 . . . . 0.0 110.38 177.088 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 5.3 p -63.37 -69.32 0.28 Allowed 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.309 0.485 . . . . 0.0 112.309 -173.299 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.413 ' HB3' ' OH ' ' A' ' 23' ' ' TYR . 0.2 OUTLIER -69.54 -24.35 63.71 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.099 0.476 . . . . 0.0 110.286 -177.372 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.473 ' OE2' ' HA ' ' A' ' 16' ' ' ALA . 33.5 tt0 -68.64 -33.17 73.55 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.128 -0.487 . . . . 0.0 109.881 178.728 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.52 ' HB2' HG13 ' A' ' 70' ' ' VAL . . . -61.93 -40.02 94.07 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.621 176.348 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.512 HD23 ' HB3' ' A' ' 118' ' ' TYR . 2.8 tm? -56.67 -50.86 70.85 Favored 'General case' 0 CA--C 1.516 -0.337 0 N-CA-C 109.473 -0.565 . . . . 0.0 109.473 177.625 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.71 ' O ' ' HG ' ' A' ' 81' ' ' LEU . 36.1 mm -60.2 -55.56 23.4 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.984 -177.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . 0.491 ' HB2' ' HB1' ' A' ' 26' ' ' ALA . 21.3 tt0 -57.32 -45.89 83.77 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 120.544 0.212 . . . . 0.0 111.176 -179.751 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -59.99 -41.28 91.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.936 0.398 . . . . 0.0 110.676 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.567 ' O ' HD23 ' A' ' 84' ' ' LEU . 3.5 mm? -67.45 -42.61 82.79 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.126 177.861 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.71 ' HG ' ' O ' ' A' ' 77' ' ' ILE . 74.5 mt -59.78 -45.48 92.15 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.81 0.338 . . . . 0.0 111.057 -179.251 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.446 ' OE1' ' HD2' ' A' ' 38' ' ' ARG . 59.7 mt-10 -64.63 -40.46 95.51 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.092 0.472 . . . . 0.0 110.579 177.409 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.527 ' HG ' HG12 ' A' ' 58' ' ' ILE . 3.5 tm? -60.9 -43.69 98.17 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.22 177.025 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.578 HD21 HD21 ' B' ' 84' ' ' LEU . 3.9 mm? -66.95 -9.36 37.62 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.706 -0.679 . . . . 0.0 112.13 -178.18 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 35.7 m -95.99 -30.91 13.33 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.002 0.429 . . . . 0.0 110.933 -178.331 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.414 ' HB2' HG13 ' A' ' 39' ' ' VAL . . . -68.67 -43.5 76.04 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.239 0.542 . . . . 0.0 111.078 -177.345 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.494 ' HB3' HG21 ' A' ' 46' ' ' ILE . 1.1 pp -80.23 -18.97 47.98 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.631 -0.713 . . . . 0.0 112.794 -171.864 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.454 ' N ' HD12 ' A' ' 87' ' ' LEU . 17.6 m -91.13 -19.72 7.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 C-N-CA 120.228 -0.589 . . . . 0.0 110.441 176.37 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 51.9 t60 -72.8 -34.44 66.9 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.046 177.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.479 ' HA ' HG11 ' B' ' 99' ' ' VAL . 27.5 m -65.73 -28.33 43.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 C-N-CA 120.747 -0.381 . . . . 0.0 111.215 -175.691 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.525 ' HA ' ' HB3' ' A' ' 94' ' ' ALA . 4.1 mm? -65.56 -18.69 65.51 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-O 120.722 0.296 . . . . 0.0 111.294 179.496 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 36.3 t -63.84 -25.72 68.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.826 177.752 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.592 ' HB2' HG12 ' B' ' 99' ' ' VAL . 66.1 m -120.75 -17.07 8.07 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.379 0.609 . . . . 0.0 110.981 -179.348 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.53 ' HA ' ' HA ' ' B' ' 96' ' ' ILE . . . -77.89 97.24 5.22 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.117 179.528 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 5.5 p -71.34 88.34 0.87 Allowed 'General case' 0 N--CA 1.427 -1.607 0 CA-C-N 115.038 -0.983 . . . . 0.0 110.612 177.438 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.701 HD13 ' HB1' ' B' ' 47' ' ' ALA . 20.1 tt -65.64 142.0 17.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-O 120.884 0.373 . . . . 0.0 111.346 -178.807 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -90.24 -84.21 1.37 Allowed Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 120.931 -0.652 . . . . 0.0 111.939 178.435 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 9.8 t30 -150.21 124.06 9.27 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.611 0.243 . . . . 0.0 110.398 178.507 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.659 HG13 HD11 ' A' ' 96' ' ' ILE . 4.4 m -103.91 147.1 10.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.975 179.047 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 34.3 m -111.36 142.13 43.99 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.42 179.12 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 50.5 m -81.8 38.88 0.53 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.256 -179.284 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 58.1 t -130.48 121.35 50.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.566 -0.288 . . . . 0.0 110.391 -178.331 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 103.75 0.12 45.73 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.528 178.029 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 45.3 t -60.32 -34.01 55.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.657 0.265 . . . . 0.0 110.359 178.392 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -50.96 -42.13 59.73 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.234 179.289 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 21.6 m -67.25 -26.42 66.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.072 -179.594 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 19.9 m -76.29 -32.9 59.03 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.057 0.456 . . . . 0.0 109.906 178.722 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.514 ' O ' HG12 ' A' ' 111' ' ' VAL . 4.4 mm? -59.46 -28.57 67.11 Favored 'General case' 0 C--O 1.224 -0.268 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.756 175.322 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . 0.462 HD22 ' N ' ' A' ' 109' ' ' ASN . 0.9 OUTLIER -73.41 -26.74 61.1 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.868 0.366 . . . . 0.0 110.856 -179.036 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 38.9 t -84.5 -37.24 12.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.089 -176.195 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.514 HG12 ' O ' ' A' ' 108' ' ' LEU . 10.8 p -60.41 -30.17 45.86 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.28 0 CA-C-O 121.337 0.589 . . . . 0.0 110.395 -179.677 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . 0.501 ' HG2' HG12 ' B' ' 27' ' ' VAL . 22.9 mt-30 -66.91 -27.88 67.85 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.422 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -80.49 -34.12 36.04 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.08 -177.429 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 9.9 m -74.88 -41.82 59.05 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.128 -0.942 . . . . 0.0 112.1 -171.717 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.522 HG11 HD22 ' B' ' 81' ' ' LEU . 14.6 p -121.74 -15.57 6.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 N-CA-C 111.926 0.343 . . . . 0.0 111.926 -173.07 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -57.52 -31.59 63.52 Favored Glycine 0 C--N 1.329 0.142 0 C-N-CA 121.042 -0.599 . . . . 0.0 112.505 -178.786 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.38 -2.85 40.26 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 111.928 0.344 . . . . 0.0 111.928 -178.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . 0.512 ' HB3' HD23 ' A' ' 76' ' ' LEU . 61.2 m-85 -111.34 -28.39 8.24 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-O 120.707 0.289 . . . . 0.0 110.849 179.564 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 35.9 m -86.65 -3.98 9.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 121.226 0.536 . . . . 0.0 110.596 175.378 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.546 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.858 177.798 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.515 0 N-CA-C 112.071 -0.412 . . . . 0.0 112.071 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' -4' ' ' SER . . . . . . . . . . . . . 11.5 m -99.72 -62.03 1.29 Allowed 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.8 0.333 . . . . 0.0 110.898 -179.396 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' -3' ' ' GLY . . . . . . . . . . . . . . . -120.01 93.57 0.54 Allowed Glycine 0 N--CA 1.446 -0.691 0 C-N-CA 120.917 -0.659 . . . . 0.0 112.303 -177.447 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' -2' ' ' ASN . . . . . . . . . . . . . 15.2 m120 -125.39 27.87 6.45 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.118 0.485 . . . . 0.0 110.318 178.384 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' -1' ' ' SER . . . . . . . . . . . . . 10.0 p -78.22 90.8 4.32 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.382 179.747 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 58.3 t -73.16 101.93 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 121.24 0.543 . . . . 0.0 110.511 179.673 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 6.8 p -118.48 100.98 7.8 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.154 179.14 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 8.5 t -102.49 145.3 29.77 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.739 -175.252 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -176.89 43.75 0.1 Allowed Glycine 0 N--CA 1.448 -0.52 0 N-CA-C 111.603 -0.599 . . . . 0.0 111.603 179.72 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -71.17 105.45 1.64 Allowed Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 121.208 -0.52 . . . . 0.0 112.274 -178.624 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 6' ' ' TYR . . . . . . . . . . . . . 51.5 p90 -71.79 163.06 28.49 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.858 0.361 . . . . 0.0 110.415 179.794 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . 137.86 -92.68 0.21 Allowed Glycine 0 N--CA 1.447 -0.6 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 -178.321 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 58.9 m-85 -131.42 99.22 4.76 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 173.376 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 109.28 64.71 0.55 Allowed Glycine 0 N--CA 1.447 -0.587 0 N-CA-C 111.295 -0.722 . . . . 0.0 111.295 -174.315 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 76.2 p -77.52 -47.05 20.53 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.048 0.451 . . . . 0.0 111.12 -176.175 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 34.9 m -73.46 178.52 4.56 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.824 -179.188 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -73.26 1.14 10.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.025 0.44 . . . . 0.0 111.315 -179.599 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -107.65 53.29 0.69 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.97 -0.559 . . . . 0.0 109.999 176.66 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.94 112.15 1.56 Allowed 'General case' 0 C--O 1.234 0.281 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.984 -177.747 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 135.6 -169.14 23.61 Favored Glycine 0 N--CA 1.441 -1.0 0 N-CA-C 110.929 -0.868 . . . . 0.0 110.929 -177.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 16' ' ' ALA . . . . . 0.569 ' HA ' ' OE2' ' B' ' 74' ' ' GLU . . . 64.3 94.49 0.05 Allowed 'General case' 0 C--O 1.233 0.224 0 CA-C-O 121.302 0.573 . . . . 0.0 111.654 177.326 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 70.93 20.63 77.88 Favored Glycine 0 CA--C 1.519 0.329 0 CA-C-N 115.672 -0.695 . . . . 0.0 113.192 179.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . 0.429 ' CG2' ' HA ' ' B' ' 23' ' ' TYR . 0.2 OUTLIER -66.99 -57.18 10.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 N-CA-C 112.015 0.376 . . . . 0.0 112.015 -178.578 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -117.04 -171.12 1.97 Allowed 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.71 -0.223 . . . . 0.0 110.542 -178.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -79.83 -40.24 28.95 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.771 0.32 . . . . 0.0 111.436 -176.027 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -137.56 16.26 3.57 Favored Glycine 0 N--CA 1.453 -0.198 0 C-N-CA 120.903 -0.665 . . . . 0.0 111.884 179.28 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 51.4 m -131.0 129.23 41.81 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.684 -0.258 . . . . 0.0 110.678 -179.752 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 23' ' ' TYR . . . . . 0.527 ' CE1' ' HA ' ' B' ' 74' ' ' GLU . 0.2 OUTLIER -150.75 123.45 8.58 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.508 -0.315 . . . . 0.0 110.548 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -81.36 -25.54 36.25 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.069 177.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.7 -28.48 71.64 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.951 -0.642 . . . . 0.0 112.694 -178.576 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 26' ' ' ALA . . . . . 0.525 ' HB1' ' HB2' ' B' ' 78' ' ' GLN . . . -71.73 -20.71 61.86 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.394 0.616 . . . . 0.0 110.336 178.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . 0.501 HG12 ' HG2' ' A' ' 112' ' ' GLN . 2.5 t -88.29 -38.14 11.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 115.187 -0.915 . . . . 0.0 110.172 -178.448 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 71.4 m-20 -73.5 -7.41 51.7 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.229 -174.454 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 79.5 ttt180 -96.64 -1.5 46.66 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.572 0.701 . . . . 0.0 110.404 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . 0.545 HD11 ' HB3' ' B' ' 81' ' ' LEU . 91.4 mt -75.86 -29.09 58.43 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.554 -176.106 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 7.6 p -77.7 8.43 4.48 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.113 0.482 . . . . 0.0 111.1 179.374 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 74.3 m -85.43 159.11 20.04 Favored 'General case' 0 N--CA 1.442 -0.861 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.385 176.192 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.9 -16.58 63.98 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.985 0.422 . . . . 0.0 110.93 -179.592 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . 0.401 ' O ' ' HG3' ' B' ' 38' ' ' ARG . 32.7 mt-10 -56.94 -63.67 1.13 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.455 176.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 35' ' ' ALA . . . . . 0.521 ' O ' HG23 ' B' ' 39' ' ' VAL . . . -57.45 -52.05 66.95 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.02 -178.882 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -55.86 -22.83 27.34 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.273 0.471 . . . . 0.0 112.273 -176.727 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 7.7 t -88.04 -20.49 25.7 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.679 0.276 . . . . 0.0 111.339 -179.598 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 38' ' ' ARG . . . . . 0.521 ' HD2' ' OE1' ' B' ' 82' ' ' GLU . 66.8 mtt180 -96.04 -49.39 5.29 Favored 'General case' 0 CA--C 1.514 -0.429 0 CA-C-O 121.651 0.738 . . . . 0.0 109.041 -179.424 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . 0.521 HG23 ' O ' ' B' ' 35' ' ' ALA . 49.0 t -58.21 -34.25 49.25 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 114.253 -1.339 . . . . 0.0 111.167 -178.239 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 50.7 p -74.42 -9.85 58.99 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.535 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 25.9 t -93.41 -16.27 24.76 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.782 0.801 . . . . 0.0 109.139 176.38 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 42' ' ' ASN . . . . . 0.423 ' OD1' HD11 ' B' ' 61' ' ' ILE . 10.7 m120 -93.06 -27.42 16.98 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 114.94 -1.027 . . . . 0.0 109.812 -174.032 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 43' ' ' ILE . . . . . 0.577 HG13 ' N ' ' B' ' 44' ' ' ALA . 4.4 pt -56.88 -37.62 55.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 115.286 -0.87 . . . . 0.0 111.219 -179.607 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . 0.577 ' N ' HG13 ' B' ' 43' ' ' ILE . . . -83.64 -1.51 54.11 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.981 0.419 . . . . 0.0 111.555 -176.397 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -104.81 -52.01 2.95 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.645 179.479 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 46' ' ' ILE . . . . . 0.463 HG21 ' HB3' ' B' ' 87' ' ' LEU . 44.6 mt -66.05 -33.0 60.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.781 -177.826 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . 0.701 ' HB1' HD13 ' A' ' 96' ' ' ILE . . . -61.69 -29.63 70.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.987 179.362 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 18.0 m -91.18 -35.35 14.58 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.798 -175.424 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -96.41 -23.29 16.91 Favored Glycine 0 CA--C 1.518 0.241 0 C-N-CA 120.486 -0.864 . . . . 0.0 113.24 -175.731 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 76.5 -75.94 1.57 Allowed Glycine 0 N--CA 1.449 -0.438 0 N-CA-C 111.559 -0.616 . . . . 0.0 111.559 -179.613 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -122.84 -27.13 4.33 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 121.011 0.434 . . . . 0.0 110.401 179.479 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 12.0 m -71.13 -10.24 59.42 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.564 -177.682 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -90.64 -15.74 29.88 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.676 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 54' ' ' LEU . . . . . 0.443 HD11 HG11 ' A' ' 88' ' ' VAL . 53.7 mt -54.9 -58.02 16.58 Favored Pre-proline 0 CA--C 1.533 0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.62 -178.441 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 55' ' ' PRO . . . . . 0.404 ' HD2' ' N ' ' B' ' 54' ' ' LEU . 20.3 Cg_endo -62.65 -24.82 75.04 Favored 'Trans proline' 0 C--N 1.353 0.766 0 C-N-CA 122.032 1.821 . . . . 0.0 112.506 -179.018 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 8.2 m -78.72 -39.31 36.76 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.228 0.537 . . . . 0.0 110.607 178.768 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 69.1 t -86.33 -40.53 14.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.151 -172.545 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 58' ' ' ILE . . . . . 0.541 HG12 HD22 ' B' ' 83' ' ' LEU . 62.3 mt -58.04 -45.37 88.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 121.074 0.464 . . . . 0.0 110.527 178.074 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 62.8 m -66.73 -23.18 66.07 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.725 -177.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 -77.85 -53.9 6.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.754 177.497 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . 0.423 HD11 ' OD1' ' B' ' 42' ' ' ASN . 40.4 mt -62.86 -45.35 99.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.127 -178.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 62' ' ' TYR . . . . . 0.456 ' O ' HG23 ' B' ' 66' ' ' VAL . 59.6 t80 -56.18 -49.28 74.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.6 -176.767 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 32.2 m -59.53 -33.76 71.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.45 178.406 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -66.87 -40.59 93.63 Favored Glycine 0 N--CA 1.45 -0.374 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.672 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 65' ' ' VAL . . . . . 0.668 HG12 HG11 ' B' ' 70' ' ' VAL . 44.9 t -71.95 -46.18 61.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-O 120.832 0.349 . . . . 0.0 110.966 179.673 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 66' ' ' VAL . . . . . 0.456 HG23 ' O ' ' B' ' 62' ' ' TYR . 86.7 t -59.77 -35.08 58.0 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.242 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.116 -178.415 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -70.5 -6.85 39.18 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.846 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 34.0 t -88.88 -12.68 41.11 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 111.628 0.233 . . . . 0.0 111.628 -177.794 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 94.13 32.25 7.58 Favored Glycine 0 CA--C 1.515 0.09 0 C-N-CA 120.308 -0.949 . . . . 0.0 112.029 -178.254 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.668 HG11 HG12 ' B' ' 65' ' ' VAL . 12.6 p -85.98 162.71 2.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 C-N-CA 122.619 0.368 . . . . 0.0 110.052 179.449 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 33.4 t -70.81 156.52 39.44 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.931 -0.396 . . . . 0.0 109.931 175.496 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 10.0 p -57.23 -64.04 1.02 Allowed 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.398 0.518 . . . . 0.0 112.398 -173.226 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 73' ' ' ASN . . . . . 0.485 ' HB3' ' OH ' ' B' ' 23' ' ' TYR . 0.2 OUTLIER -71.57 -20.53 62.0 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.11 0.481 . . . . 0.0 110.217 -176.901 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 74' ' ' GLU . . . . . 0.569 ' OE2' ' HA ' ' B' ' 16' ' ' ALA . 35.2 tt0 -74.94 -32.81 61.84 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.178 179.457 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . 0.415 ' HB2' HG13 ' B' ' 70' ' ' VAL . . . -58.38 -38.95 78.35 Favored 'General case' 0 CA--C 1.519 -0.22 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.721 176.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 76' ' ' LEU . . . . . 0.525 HD23 ' HB3' ' B' ' 118' ' ' TYR . 2.3 tm? -55.86 -49.32 73.68 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.053 179.191 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 77' ' ' ILE . . . . . 0.723 ' O ' ' HG ' ' B' ' 81' ' ' LEU . 37.2 mm -64.67 -56.22 17.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.262 -175.347 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 78' ' ' GLN . . . . . 0.525 ' HB2' ' HB1' ' B' ' 26' ' ' ALA . 20.6 tt0 -56.71 -45.87 81.58 Favored 'General case' 0 N--CA 1.464 0.246 0 C-N-CA 120.98 -0.288 . . . . 0.0 110.953 -179.569 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -59.36 -43.17 92.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.945 0.402 . . . . 0.0 110.87 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 80' ' ' LEU . . . . . 0.619 ' O ' HD23 ' B' ' 84' ' ' LEU . 2.7 mm? -65.1 -42.37 94.09 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.103 177.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . 0.723 ' HG ' ' O ' ' B' ' 77' ' ' ILE . 41.5 mt -65.22 -40.46 94.12 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.692 0.282 . . . . 0.0 111.392 -176.541 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 82' ' ' GLU . . . . . 0.521 ' OE1' ' HD2' ' B' ' 38' ' ' ARG . 54.1 mt-10 -63.23 -41.9 99.16 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.956 0.408 . . . . 0.0 110.153 174.861 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 83' ' ' LEU . . . . . 0.541 HD22 HG12 ' B' ' 58' ' ' ILE . 32.0 tp -59.22 -45.29 91.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.091 0.472 . . . . 0.0 111.353 176.283 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 84' ' ' LEU . . . . . 0.619 HD23 ' O ' ' B' ' 80' ' ' LEU . 3.8 mm? -64.9 -5.9 7.14 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.463 -0.79 . . . . 0.0 112.132 -176.133 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 85' ' ' SER . . . . . 0.416 ' OG ' HD13 ' A' ' 108' ' ' LEU . 21.4 m -100.29 -25.02 14.39 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 120.871 0.367 . . . . 0.0 110.918 -179.746 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 86' ' ' ALA . . . . . 0.468 ' HB2' HG13 ' B' ' 39' ' ' VAL . . . -74.6 -47.01 34.8 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.65 0.738 . . . . 0.0 110.629 -176.635 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 87' ' ' LEU . . . . . 0.476 HD12 HG13 ' B' ' 88' ' ' VAL . 0.9 OUTLIER -77.93 -14.87 59.39 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 114.979 -1.009 . . . . 0.0 112.775 -172.061 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 88' ' ' VAL . . . . . 0.476 HG13 HD12 ' B' ' 87' ' ' LEU . 19.8 m -96.12 -19.01 6.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 121.009 0.433 . . . . 0.0 110.642 176.528 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 89' ' ' HIS . . . . . . . . . . . . . 60.9 t60 -74.1 -34.26 63.9 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.825 177.735 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 90' ' ' VAL . . . . . 0.439 ' HA ' HG11 ' A' ' 99' ' ' VAL . 34.3 m -66.27 -27.11 39.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.574 -175.454 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 91' ' ' LEU . . . . . 0.655 ' HA ' ' HB3' ' B' ' 94' ' ' ALA . 3.8 mm? -66.38 -22.47 66.25 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.657 -0.247 . . . . 0.0 111.101 -178.826 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 11.2 t -63.13 -27.18 69.2 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.215 0.531 . . . . 0.0 110.333 178.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . 0.537 ' HB2' HG12 ' A' ' 99' ' ' VAL . 8.7 m -120.93 14.19 11.52 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-O 121.191 0.52 . . . . 0.0 110.33 179.747 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 94' ' ' ALA . . . . . 0.655 ' HB3' ' HA ' ' B' ' 91' ' ' LEU . . . -110.38 97.26 6.76 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.793 -178.407 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 1.5 m -68.22 88.54 0.3 Allowed 'General case' 0 N--CA 1.429 -1.496 0 CA-C-N 115.49 -0.777 . . . . 0.0 111.023 177.698 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 96' ' ' ILE . . . . . 0.672 HD11 HG13 ' B' ' 99' ' ' VAL . 9.9 tt -68.24 139.19 21.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 121.026 0.441 . . . . 0.0 111.77 179.804 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 97' ' ' GLY . . . . . . . . . . . . . . . -86.48 -95.19 0.84 Allowed Glycine 0 N--CA 1.449 -0.469 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.805 177.222 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 98' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -139.65 113.67 8.83 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.842 0.353 . . . . 0.0 110.944 179.48 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 99' ' ' VAL . . . . . 0.672 HG13 HD11 ' B' ' 96' ' ' ILE . 4.0 m -92.23 137.98 20.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.787 176.864 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 100' ' ' SER . . . . . . . . . . . . . 47.4 m -98.01 143.97 28.02 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.015 177.37 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 16.4 m -82.82 11.7 5.69 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.368 0.604 . . . . 0.0 110.495 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 51.0 t -110.58 121.42 63.31 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.519 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.036 -177.572 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . 112.14 -2.39 26.89 Favored Glycine 0 N--CA 1.448 -0.509 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.922 177.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 104' ' ' VAL . . . . . . . . . . . . . 37.9 t -61.29 -29.53 46.07 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.217 0 CA-C-N 116.828 0.314 . . . . 0.0 110.778 178.705 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -47.9 -41.51 24.66 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 121.337 0.589 . . . . 0.0 111.225 178.013 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 13.4 m -64.88 -34.36 78.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.412 -179.29 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 14.4 m -70.93 -34.96 72.01 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.639 -175.353 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 108' ' ' LEU . . . . . 0.565 ' O ' HG12 ' B' ' 111' ' ' VAL . 4.3 mm? -59.23 -36.57 75.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.606 177.087 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 109' ' ' ASN . . . . . . . . . . . . . 17.9 m-80 -67.89 -25.64 65.61 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.378 -178.544 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 110' ' ' VAL . . . . . . . . . . . . . 39.9 t -85.86 -39.78 13.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.054 -176.54 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 111' ' ' VAL . . . . . 0.565 HG12 ' O ' ' B' ' 108' ' ' LEU . 7.1 p -60.88 -26.66 39.35 Favored 'Isoleucine or valine' 0 C--O 1.234 0.266 0 CA-C-O 121.315 0.579 . . . . 0.0 110.497 -178.512 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 112' ' ' GLN . . . . . 0.556 ' HG3' ' O ' ' B' ' 108' ' ' LEU . 24.0 mt-30 -67.84 -20.58 65.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.299 -179.588 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 113' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -85.06 -36.99 20.84 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-O 121.41 0.624 . . . . 0.0 110.066 -176.385 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 114' ' ' SER . . . . . 0.426 ' HB3' HD12 ' B' ' 58' ' ' ILE . 4.8 m -76.04 -46.34 29.77 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.17 -0.923 . . . . 0.0 111.894 -171.667 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 115' ' ' VAL . . . . . 0.409 HG12 ' O ' ' B' ' 111' ' ' VAL . 10.3 p -108.42 -20.14 6.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-O 120.951 0.405 . . . . 0.0 111.372 -172.746 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 116' ' ' GLY . . . . . . . . . . . . . . . -59.77 -29.12 66.73 Favored Glycine 0 C--O 1.228 -0.223 0 CA-C-N 116.17 -0.468 . . . . 0.0 113.294 -176.378 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.24 -7.68 59.63 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 122.728 -0.278 . . . . 0.0 111.626 -178.148 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 118' ' ' TYR . . . . . 0.525 ' HB3' HD23 ' B' ' 76' ' ' LEU . 87.9 m-85 -101.58 -30.56 11.31 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.004 0.431 . . . . 0.0 110.806 179.103 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 119' ' ' VAL . . . . . . . . . . . . . 35.9 m -88.99 -3.36 9.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.418 179.107 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.131 0 CA-C-O 118.849 -0.973 . . . . 0.0 112.231 -179.61 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.669 0 N-CA-C 112.066 -0.414 . . . . 0.0 112.066 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 10.9 m -78.49 158.36 28.64 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.629 0.252 . . . . 0.0 111.003 -179.016 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . -97.82 150.29 19.42 Favored Glycine 0 N--CA 1.446 -0.634 0 C-N-CA 121.161 -0.542 . . . . 0.0 112.208 178.77 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' -2' ' ' ASN . . . . . . . . . . . . . 14.9 m120 -95.94 103.39 15.27 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.872 0.368 . . . . 0.0 110.248 -179.586 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 13.6 p -82.63 12.66 4.42 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.087 -0.506 . . . . 0.0 112.138 -175.274 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 27.4 m -92.54 147.43 5.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 120.781 0.324 . . . . 0.0 110.708 -179.771 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 4.3 t -151.91 124.26 8.27 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.283 0.563 . . . . 0.0 111.0 -178.593 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 48.3 m -155.43 148.29 24.37 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.445 177.027 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 165.45 45.98 0.02 OUTLIER Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.342 -0.932 . . . . 0.0 112.917 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -115.13 5.85 21.77 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.827 -0.701 . . . . 0.0 111.904 178.433 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 30.6 p90 -92.2 -177.52 4.69 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.789 0.328 . . . . 0.0 110.646 -177.791 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 127.19 -133.36 7.92 Favored Glycine 0 N--CA 1.447 -0.584 0 N-CA-C 111.495 -0.642 . . . . 0.0 111.495 -177.575 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 36.7 t80 -71.8 -39.63 69.73 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.011 0.434 . . . . 0.0 110.614 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -106.04 45.87 1.25 Allowed Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.6 -0.81 . . . . 0.0 111.985 -179.358 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 4.1 t -77.92 -50.58 11.92 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.172 0.434 . . . . 0.0 112.172 -175.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 19.5 m -142.96 -68.52 0.35 Allowed 'General case' 0 CA--C 1.516 -0.335 0 CA-C-O 121.094 0.474 . . . . 0.0 111.469 -172.406 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -135.44 133.99 39.17 Favored 'General case' 0 N--CA 1.445 -0.707 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.605 -175.195 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -76.56 93.22 3.55 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.534 -0.757 . . . . 0.0 109.846 176.503 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -103.59 -162.87 0.94 Allowed 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.56 -0.746 . . . . 0.0 110.879 -177.444 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.615 ' O ' ' HA3' ' A' ' 25' ' ' GLY . . . -152.3 84.76 0.15 Allowed Glycine 0 N--CA 1.443 -0.838 0 C-N-CA 120.62 -0.8 . . . . 0.0 112.577 -177.632 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -172.55 94.01 0.13 Allowed 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 175.347 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 57.63 47.0 91.5 Favored Glycine 0 CA--C 1.518 0.246 0 C-N-CA 120.682 -0.771 . . . . 0.0 111.473 -171.012 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.411 HG23 ' H ' ' A' ' 19' ' ' ALA . 0.1 OUTLIER -86.18 -65.37 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 N-CA-C 111.942 0.349 . . . . 0.0 111.942 -174.74 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.411 ' H ' HG23 ' A' ' 18' ' ' VAL . . . -101.11 -174.81 2.7 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 120.569 0.224 . . . . 0.0 110.435 -178.01 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -73.33 -45.42 55.37 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.958 0.408 . . . . 0.0 110.625 -179.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -137.19 41.64 1.38 Allowed Glycine 0 N--CA 1.446 -0.643 0 C-N-CA 120.881 -0.675 . . . . 0.0 111.632 -178.422 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.454 ' HB3' ' O ' ' B' ' 119' ' ' VAL . 12.3 m -157.14 125.18 5.5 Favored 'General case' 0 N--CA 1.444 -0.747 0 CA-C-O 120.784 0.326 . . . . 0.0 110.512 -179.341 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.563 ' CE1' ' HA ' ' A' ' 74' ' ' GLU . 0.1 OUTLIER -150.6 117.59 5.91 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.034 179.733 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.19 -27.56 53.64 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.559 -176.733 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.615 ' HA3' ' O ' ' A' ' 15' ' ' GLY . . . -60.49 -30.76 72.49 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.931 -0.652 . . . . 0.0 112.508 -178.159 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.469 ' HB1' ' HB2' ' A' ' 78' ' ' GLN . . . -67.12 -16.61 64.43 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.102 0.477 . . . . 0.0 110.505 178.233 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.492 HG21 ' HA2' ' B' ' 116' ' ' GLY . 3.2 t -94.49 -44.03 13.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.235 -179.688 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.442 HD22 ' HA2' ' A' ' 25' ' ' GLY . 49.7 m-80 -62.85 -33.4 75.18 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 120.945 0.402 . . . . 0.0 111.223 -177.32 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 6.1 ptp180 -73.22 -1.03 16.09 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.807 -176.58 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.716 HD11 ' HB3' ' A' ' 81' ' ' LEU . 91.0 mt -73.49 -20.66 60.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.929 0.395 . . . . 0.0 110.986 179.24 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 52.8 p -71.82 -11.48 60.83 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.568 178.437 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 32.6 t -71.34 140.86 50.39 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.749 -0.66 . . . . 0.0 109.99 179.768 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.5 -18.39 39.77 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.924 0.392 . . . . 0.0 111.339 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -57.98 -51.32 70.15 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.205 177.221 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.588 ' O ' HG23 ' A' ' 39' ' ' VAL . . . -59.39 -53.54 56.97 Favored 'General case' 0 CA--C 1.515 -0.371 0 CA-C-N 115.589 -0.732 . . . . 0.0 109.93 176.658 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -51.23 -31.73 21.75 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.904 0.383 . . . . 0.0 111.31 -179.357 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 61.1 m -76.68 -32.09 57.69 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.961 -0.563 . . . . 0.0 112.374 179.094 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 77.2 mtt-85 -90.66 -40.67 11.75 Favored 'General case' 0 CA--C 1.516 -0.333 0 CA-C-O 121.765 0.793 . . . . 0.0 109.733 -175.668 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.588 HG23 ' O ' ' A' ' 35' ' ' ALA . 43.5 t -65.41 -42.14 92.78 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.92 0 CA-C-N 114.394 -1.275 . . . . 0.0 110.841 -178.858 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.512 ' O ' HG12 ' A' ' 43' ' ' ILE . 95.7 p -71.96 -15.57 62.07 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-O 121.14 0.495 . . . . 0.0 110.887 -179.745 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 47.3 t -81.42 -7.9 59.65 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.361 179.635 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 47.3 m-80 -126.14 -2.49 7.01 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.574 -176.552 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.512 HG12 ' O ' ' A' ' 40' ' ' SER . 5.4 pt -59.35 -40.5 81.63 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.234 0 CA-C-O 121.039 0.447 . . . . 0.0 110.57 177.476 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.504 ' N ' HG13 ' A' ' 43' ' ' ILE . . . -79.88 -11.59 59.8 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.91 -177.34 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -82.58 -49.12 10.2 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.203 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 40.0 mt -67.45 -32.06 55.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.041 177.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.661 ' HB1' HD13 ' B' ' 96' ' ' ILE . . . -69.74 -2.11 11.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.402 176.662 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 30.2 t -110.82 -49.32 3.05 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.724 -179.158 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -93.25 -21.02 30.99 Favored Glycine 0 C--N 1.331 0.271 0 C-N-CA 120.532 -0.842 . . . . 0.0 113.328 -176.804 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 74.27 -74.59 1.23 Allowed Glycine 0 N--CA 1.45 -0.417 0 N-CA-C 112.009 -0.437 . . . . 0.0 112.009 -178.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -117.34 -25.74 6.94 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.135 0.493 . . . . 0.0 110.314 179.583 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 15.4 m -71.15 -14.39 62.26 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.675 -178.562 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -90.5 -16.57 28.65 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.09 -178.028 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.643 HD11 HG11 ' B' ' 88' ' ' VAL . 27.5 mt -56.47 -58.35 17.51 Favored Pre-proline 0 C--N 1.327 -0.406 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.875 -176.415 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.418 ' HD2' ' N ' ' A' ' 54' ' ' LEU . 18.7 Cg_endo -60.48 -24.81 79.02 Favored 'Trans proline' 0 C--N 1.354 0.833 0 C-N-CA 122.156 1.904 . . . . 0.0 112.26 -177.376 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 16.6 m -83.84 -44.59 14.16 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.882 -179.478 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 53.0 t -74.13 -39.26 50.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.099 -175.082 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.505 HG12 ' HG ' ' A' ' 83' ' ' LEU . 63.7 mt -60.68 -36.58 71.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.174 176.091 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 5.5 t -70.1 -36.0 74.55 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.302 -0.408 . . . . 0.0 109.928 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 89.0 m-20 -63.75 -48.87 75.25 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.6 178.269 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 64.8 mt -74.08 -48.47 37.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.746 -176.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.5 ' O ' HG23 ' A' ' 66' ' ' VAL . 54.5 t80 -53.05 -52.56 58.11 Favored 'General case' 0 N--CA 1.466 0.36 0 N-CA-C 111.505 0.187 . . . . 0.0 111.505 -177.299 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 29.5 t -62.09 -31.34 71.77 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.867 0.365 . . . . 0.0 110.392 -179.05 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -71.33 -41.07 59.73 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.792 -0.718 . . . . 0.0 111.401 178.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.613 HG12 HG11 ' A' ' 70' ' ' VAL . 71.5 t -65.58 -47.42 86.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-O 120.937 0.398 . . . . 0.0 110.857 177.724 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.5 HG23 ' O ' ' A' ' 62' ' ' TYR . 76.3 t -62.09 -34.45 63.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.715 -178.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -68.92 -8.34 43.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.832 179.713 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 36.2 t -79.54 -21.34 45.29 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.982 0.42 . . . . 0.0 110.287 177.442 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 101.25 14.13 31.47 Favored Glycine 0 N--CA 1.453 -0.209 0 C-N-CA 120.659 -0.781 . . . . 0.0 112.184 -178.403 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.613 HG11 HG12 ' A' ' 65' ' ' VAL . 15.0 p -71.43 157.31 6.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 N-CA-C 110.184 -0.302 . . . . 0.0 110.184 178.061 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 33.7 t -59.07 136.37 57.93 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 174.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 14.5 m -50.71 -46.91 59.19 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 112.665 0.617 . . . . 0.0 112.665 -173.664 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -77.63 -30.94 52.49 Favored 'General case' 0 C--N 1.329 -0.326 0 C-N-CA 120.935 -0.306 . . . . 0.0 110.607 -175.604 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.563 ' HA ' ' CE1' ' A' ' 23' ' ' TYR . 34.7 tt0 -69.48 -29.63 67.33 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-O 121.128 0.489 . . . . 0.0 110.049 178.204 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.469 ' HB2' HG13 ' A' ' 70' ' ' VAL . . . -60.36 -35.1 74.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.503 -0.771 . . . . 0.0 111.274 178.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.506 HD23 ' HB3' ' A' ' 118' ' ' TYR . 2.9 tm? -55.86 -52.05 65.41 Favored 'General case' 0 CA--C 1.517 -0.321 0 CA-C-O 120.999 0.428 . . . . 0.0 109.891 178.154 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.699 ' O ' ' HG ' ' A' ' 81' ' ' LEU . 39.2 mm -60.42 -54.61 32.63 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.789 -177.598 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . 0.469 ' HB2' ' HB1' ' A' ' 26' ' ' ALA . 24.2 tt0 -57.22 -46.68 82.73 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.628 0.252 . . . . 0.0 111.203 179.855 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.57 -39.2 87.12 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.834 -179.703 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.559 ' O ' HD23 ' A' ' 84' ' ' LEU . 2.7 mm? -67.47 -37.5 83.0 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.985 176.206 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.716 ' HB3' HD11 ' A' ' 30' ' ' LEU . 76.5 mt -69.65 -38.75 77.25 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.802 0.334 . . . . 0.0 111.25 -178.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -72.36 -12.36 61.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.399 0.619 . . . . 0.0 110.593 174.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.505 ' HG ' HG12 ' A' ' 58' ' ' ILE . 3.4 tm? -89.24 -44.95 9.9 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.469 175.622 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.559 HD23 ' O ' ' A' ' 80' ' ' LEU . 4.0 mm? -66.27 -12.3 55.59 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.45 -0.796 . . . . 0.0 111.991 -178.488 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.7 p -93.6 -29.72 15.33 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 120.807 0.337 . . . . 0.0 111.106 -177.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -68.69 -47.0 67.56 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.314 0.578 . . . . 0.0 110.833 -179.203 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.554 HD12 ' N ' ' A' ' 88' ' ' VAL . 1.6 pp -76.07 -25.77 55.88 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 113.034 0.753 . . . . 0.0 113.034 -172.013 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.554 ' N ' HD12 ' A' ' 87' ' ' LEU . 16.4 m -83.95 -23.71 7.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 C-N-CA 120.113 -0.635 . . . . 0.0 110.68 177.8 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 73.7 t60 -67.74 -40.16 84.17 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.233 178.028 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.496 HG22 ' O ' ' A' ' 87' ' ' LEU . 21.9 m -66.4 -26.09 36.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.502 -174.455 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.594 ' HA ' ' HB3' ' A' ' 94' ' ' ALA . 3.0 mm? -65.01 -20.08 66.32 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.221 179.227 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 22.2 t -64.91 -25.56 67.94 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.83 0.348 . . . . 0.0 110.807 -179.173 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 7.7 t -122.78 3.28 9.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.398 0.618 . . . . 0.0 110.178 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.594 ' HB3' ' HA ' ' A' ' 91' ' ' LEU . . . -94.89 100.47 12.33 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.185 177.818 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 8.9 t -77.12 89.63 3.63 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.186 0.517 . . . . 0.0 109.894 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.806 HD13 ' HB1' ' B' ' 47' ' ' ALA . 16.8 tt -69.67 143.49 14.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.488 -178.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -92.93 -112.29 2.08 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.889 -0.672 . . . . 0.0 112.281 178.523 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -122.84 112.35 17.77 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.983 0.42 . . . . 0.0 110.612 -178.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.569 HG12 ' HB2' ' B' ' 93' ' ' SER . 11.5 m -90.54 153.09 3.25 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.957 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 43.9 t -113.42 153.4 28.67 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 178.329 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 24.4 p -78.84 -9.58 59.52 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.395 0.617 . . . . 0.0 110.28 178.229 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 43.6 t -78.12 103.34 5.08 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.431 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.918 -176.435 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 130.54 -14.14 5.59 Favored Glycine 0 N--CA 1.447 -0.597 0 C-N-CA 120.555 -0.831 . . . . 0.0 113.091 175.281 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.451 ' O ' HD12 ' A' ' 108' ' ' LEU . 16.6 t -58.43 -35.02 52.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 176.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -52.07 -44.52 64.36 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 114.997 -1.001 . . . . 0.0 110.402 177.497 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 11.2 m -85.64 -27.65 25.27 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.418 -0.81 . . . . 0.0 111.117 -177.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 29.7 m -64.61 -34.01 77.26 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-O 121.294 0.569 . . . . 0.0 109.938 178.137 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.559 ' O ' ' HG3' ' A' ' 112' ' ' GLN . 1.5 mt -59.88 -30.19 68.83 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.406 -0.816 . . . . 0.0 110.956 175.152 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . 0.505 HD22 ' N ' ' A' ' 109' ' ' ASN . 0.8 OUTLIER -71.61 -16.1 62.27 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.998 0.428 . . . . 0.0 110.792 179.537 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 29.5 t -94.28 -36.54 7.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.827 -179.04 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.52 HG12 ' O ' ' A' ' 108' ' ' LEU . 8.6 p -63.69 -29.54 47.54 Favored 'Isoleucine or valine' 0 C--O 1.235 0.299 0 CA-C-O 121.37 0.605 . . . . 0.0 110.317 179.559 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . 0.559 ' HG3' ' O ' ' A' ' 108' ' ' LEU . 25.2 mt-30 -67.22 -22.04 65.73 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.475 179.107 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -86.58 -20.08 28.44 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.408 -177.163 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 13.7 m -88.72 -32.69 17.82 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.001 -0.545 . . . . 0.0 112.03 -173.144 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.65 HG11 HD22 ' B' ' 81' ' ' LEU . 11.4 p -120.79 -21.02 4.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 N-CA-C 112.15 0.426 . . . . 0.0 112.15 -173.48 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -54.92 -32.47 55.97 Favored Glycine 0 C--N 1.331 0.262 0 C-N-CA 121.432 -0.413 . . . . 0.0 113.441 -176.389 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . 0.402 HE21 ' HB2' ' A' ' 117' ' ' GLN . 0.0 OUTLIER -81.03 -4.26 54.57 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 111.962 0.356 . . . . 0.0 111.962 -178.314 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . 0.506 ' HB3' HD23 ' A' ' 76' ' ' LEU . 97.6 m-85 -108.5 -30.03 8.48 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.965 0.412 . . . . 0.0 110.09 178.712 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.474 ' O ' ' HB3' ' B' ' 22' ' ' SER . 35.4 m -89.72 -0.84 8.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.99 174.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.426 0 C-N-CA 120.955 -0.641 . . . . 0.0 112.189 177.439 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.374 0 N-CA-C 111.815 -0.514 . . . . 0.0 111.815 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' -4' ' ' SER . . . . . . . . . . . . . 50.4 m -148.63 155.64 41.34 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 110.042 -0.355 . . . . 0.0 110.042 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' -3' ' ' GLY . . . . . . . . . . . . . . . -76.57 67.93 2.52 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 121.006 -0.616 . . . . 0.0 112.303 178.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' -2' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -58.2 105.45 0.28 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.916 0.389 . . . . 0.0 110.579 178.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' -1' ' ' SER . . . . . . . . . . . . . 12.8 m -98.5 16.93 20.28 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.315 0.578 . . . . 0.0 110.222 -178.702 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 35.2 m -98.51 172.81 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.838 -179.653 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 12.0 t -157.08 179.8 8.94 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 47.4 m -147.23 93.16 2.21 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.003 0.43 . . . . 0.0 110.361 179.247 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -167.56 129.17 1.85 Allowed Glycine 0 N--CA 1.445 -0.745 0 C-N-CA 120.989 -0.624 . . . . 0.0 111.854 179.608 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . 135.61 39.96 0.16 Allowed Glycine 0 N--CA 1.447 -0.576 0 C-N-CA 120.839 -0.696 . . . . 0.0 111.995 -179.04 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 6' ' ' TYR . . . . . 0.5 ' HA ' ' HB ' ' B' ' 10' ' ' THR . 47.0 p90 -148.98 -170.74 3.7 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.563 0.221 . . . . 0.0 110.557 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . 118.04 -152.01 17.72 Favored Glycine 0 CA--C 1.506 -0.513 0 C-N-CA 120.998 -0.62 . . . . 0.0 111.633 -179.697 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 86.5 t80 -64.45 -34.96 79.41 Favored 'General case' 0 N--CA 1.445 -0.699 0 CA-C-O 121.246 0.546 . . . . 0.0 110.131 175.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -109.82 59.12 0.37 Allowed Glycine 0 N--CA 1.446 -0.662 0 CA-C-N 115.469 -0.787 . . . . 0.0 111.499 -178.508 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . 0.5 ' HB ' ' HA ' ' B' ' 6' ' ' TYR . 9.0 t -102.39 -21.53 14.25 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.81 0.338 . . . . 0.0 111.226 -178.519 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 46.8 m -141.0 -78.25 0.28 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.079 0.466 . . . . 0.0 110.723 -177.076 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -157.34 158.64 36.38 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.134 -177.634 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -73.6 107.48 5.89 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.242 177.703 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -129.57 -157.81 0.85 Allowed 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.522 -178.137 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 15' ' ' GLY . . . . . 0.439 ' O ' ' HA3' ' B' ' 25' ' ' GLY . . . -152.1 96.58 0.17 Allowed Glycine 0 N--CA 1.445 -0.736 0 C-N-CA 120.527 -0.844 . . . . 0.0 112.817 -177.604 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 16' ' ' ALA . . . . . 0.446 ' H ' HG13 ' B' ' 18' ' ' VAL . . . 177.12 92.02 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.195 -0.668 . . . . 0.0 109.195 176.267 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 54.68 48.58 65.16 Favored Glycine 0 C--N 1.331 0.266 0 C-N-CA 120.555 -0.831 . . . . 0.0 111.774 -172.007 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . 0.446 HG13 ' H ' ' B' ' 16' ' ' ALA . 0.5 OUTLIER -84.16 -61.33 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 N-CA-C 112.418 0.525 . . . . 0.0 112.418 -172.423 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -102.51 -175.21 2.76 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 110.293 -0.262 . . . . 0.0 110.293 -177.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -69.17 -46.79 66.65 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.863 0.363 . . . . 0.0 110.965 -178.037 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -136.07 30.53 2.72 Favored Glycine 0 N--CA 1.448 -0.56 0 C-N-CA 120.864 -0.684 . . . . 0.0 111.579 -178.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 22' ' ' SER . . . . . 0.474 ' HB3' ' O ' ' A' ' 119' ' ' VAL . 4.6 m -144.03 126.47 15.85 Favored 'General case' 0 N--CA 1.445 -0.679 0 CA-C-N 115.328 -0.436 . . . . 0.0 110.378 -179.343 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -146.86 116.85 7.26 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.08 -179.281 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -76.66 -26.72 55.13 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.396 -177.701 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . 0.439 ' HA3' ' O ' ' B' ' 15' ' ' GLY . . . -64.65 -27.78 72.39 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.608 -177.459 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 26' ' ' ALA . . . . . 0.501 ' HB1' ' HB2' ' B' ' 78' ' ' GLN . . . -68.86 -19.05 64.23 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.381 0.61 . . . . 0.0 109.938 177.696 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . 0.514 HG22 ' CD1' ' B' ' 81' ' ' LEU . 2.5 t -93.65 -40.72 11.99 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 115.179 -0.919 . . . . 0.0 109.986 179.628 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 65.4 m-20 -74.02 -8.0 54.51 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.523 -0.762 . . . . 0.0 111.653 -172.696 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 29' ' ' ARG . . . . . 0.426 HH11 ' HD2' ' B' ' 29' ' ' ARG . 6.5 ptp180 -98.61 4.57 48.07 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.845 0.355 . . . . 0.0 110.688 179.46 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 90.1 mt -79.46 -12.87 59.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.291 -177.202 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 14.0 p -78.14 -2.94 39.96 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.53 179.081 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 26.8 t -77.75 141.45 39.27 Favored 'General case' 0 N--CA 1.448 -0.567 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.669 177.284 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.68 -21.78 61.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.176 -179.52 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -55.97 -45.05 79.05 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.448 177.705 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 35' ' ' ALA . . . . . 0.708 ' O ' HG23 ' B' ' 39' ' ' VAL . . . -63.13 -52.49 62.35 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.811 -0.631 . . . . 0.0 109.769 175.607 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -51.76 -37.52 51.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.623 -177.188 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 39.4 m -69.35 -21.81 63.79 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.218 -0.446 . . . . 0.0 112.0 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 38' ' ' ARG . . . . . 0.465 ' HD2' ' OE1' ' B' ' 82' ' ' GLU . 91.8 mtt180 -93.04 -53.05 4.3 Favored 'General case' 0 CA--C 1.511 -0.532 0 CA-C-O 121.896 0.855 . . . . 0.0 108.719 179.722 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . 0.708 HG23 ' O ' ' B' ' 35' ' ' ALA . 16.2 t -60.34 -34.83 59.01 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-N 113.682 -1.599 . . . . 0.0 111.53 -174.683 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 84.6 p -74.37 -10.55 59.69 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-O 121.1 0.476 . . . . 0.0 110.986 179.671 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 45.7 t -95.07 -7.9 38.18 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.707 0.765 . . . . 0.0 109.257 176.626 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 11.6 m120 -100.31 -25.39 14.26 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.366 -0.834 . . . . 0.0 109.784 -176.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 43' ' ' ILE . . . . . 0.562 HG13 ' N ' ' B' ' 44' ' ' ALA . 4.6 pt -58.34 -42.44 83.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.505 -0.77 . . . . 0.0 111.383 -178.398 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . 0.562 ' N ' HG13 ' B' ' 43' ' ' ILE . . . -78.62 -16.67 57.1 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.161 0.505 . . . . 0.0 110.895 -176.857 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -83.53 -52.7 6.26 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.824 -179.611 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 53.3 mt -67.15 -32.8 59.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.602 -178.711 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . 0.806 ' HB1' HD13 ' A' ' 96' ' ' ILE . . . -61.96 -23.34 66.32 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.264 178.176 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 32.3 m -97.91 -40.64 8.4 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.435 -175.744 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -95.31 -21.6 24.37 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.538 -0.839 . . . . 0.0 113.364 -176.091 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 71.34 -78.4 0.57 Allowed Glycine 0 N--CA 1.45 -0.423 0 N-CA-C 111.513 -0.635 . . . . 0.0 111.513 -178.405 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -117.0 -19.26 9.86 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-O 121.305 0.574 . . . . 0.0 109.754 178.27 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 4.6 m -72.31 -13.98 61.63 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.623 -177.582 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -95.69 -14.98 22.98 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.707 -0.678 . . . . 0.0 111.044 -177.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 54' ' ' LEU . . . . . 0.55 HD11 HG11 ' A' ' 88' ' ' VAL . 49.8 mt -53.88 -58.71 12.14 Favored Pre-proline 0 CA--C 1.531 0.244 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.787 -176.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 55' ' ' PRO . . . . . 0.414 ' HD2' ' N ' ' B' ' 54' ' ' LEU . 28.1 Cg_endo -62.79 -23.02 74.36 Favored 'Trans proline' 0 C--N 1.351 0.7 0 C-N-CA 121.934 1.756 . . . . 0.0 112.221 -176.131 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 6.2 m -84.94 -41.57 15.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.192 0.52 . . . . 0.0 110.794 -178.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 78.6 t -78.03 -39.26 25.18 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.395 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.263 -174.382 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 58' ' ' ILE . . . . . 0.471 HG12 HD22 ' B' ' 83' ' ' LEU . 64.8 mt -56.24 -41.77 71.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.287 175.283 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 8.1 t -65.44 -38.85 91.09 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.884 -178.112 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 95.2 m-20 -63.03 -55.05 28.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.637 178.67 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . 0.443 ' O ' HG23 ' B' ' 65' ' ' VAL . 57.5 mt -65.01 -47.83 86.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.551 -0.749 . . . . 0.0 111.477 -176.417 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 62' ' ' TYR . . . . . 0.419 ' O ' HG23 ' B' ' 66' ' ' VAL . 46.0 t80 -56.48 -47.88 78.29 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.631 -0.259 . . . . 0.0 110.6 -177.173 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 32.1 t -62.56 -31.29 72.06 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.453 179.078 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -72.58 -40.89 52.75 Favored Glycine 0 N--CA 1.453 -0.197 0 C-N-CA 120.784 -0.722 . . . . 0.0 111.683 178.303 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 65' ' ' VAL . . . . . 0.734 HG12 HG11 ' B' ' 70' ' ' VAL . 96.4 t -65.97 -46.8 87.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-O 120.977 0.417 . . . . 0.0 110.984 178.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 66' ' ' VAL . . . . . 0.419 HG23 ' O ' ' B' ' 62' ' ' TYR . 79.7 t -65.38 -31.57 54.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 121.056 0.455 . . . . 0.0 110.794 179.788 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -74.09 -5.63 42.74 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.414 177.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 20.3 t -89.96 -10.75 43.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.339 179.6 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 88.4 36.73 7.93 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.373 179.69 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.734 HG11 HG12 ' B' ' 65' ' ' VAL . 13.3 p -87.3 163.57 2.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 N-CA-C 110.201 -0.296 . . . . 0.0 110.201 178.067 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 71' ' ' SER . . . . . 0.416 ' N ' HG22 ' B' ' 70' ' ' VAL . 17.4 t -67.57 148.31 51.6 Favored 'General case' 0 CA--C 1.531 0.229 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 175.744 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 48.0 m -53.01 -55.06 26.47 Favored 'General case' 0 CA--C 1.534 0.34 0 N-CA-C 113.01 0.744 . . . . 0.0 113.01 -172.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -78.11 -26.61 48.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.929 0.395 . . . . 0.0 110.553 -174.876 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -72.31 -26.57 62.0 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.991 0.424 . . . . 0.0 110.482 -179.485 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . 0.419 ' HB2' HG13 ' B' ' 70' ' ' VAL . . . -58.7 -42.1 87.81 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.722 179.698 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -55.25 -48.04 74.55 Favored 'General case' 0 N--CA 1.463 0.195 0 O-C-N 123.236 0.335 . . . . 0.0 110.23 -179.622 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 77' ' ' ILE . . . . . 0.715 ' O ' ' HG ' ' B' ' 81' ' ' LEU . 42.1 mm -61.65 -56.52 17.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.964 -177.451 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 78' ' ' GLN . . . . . 0.501 ' HB2' ' HB1' ' B' ' 26' ' ' ALA . 30.3 tt0 -57.39 -44.74 84.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.543 -0.298 . . . . 0.0 110.974 -179.819 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -59.78 -40.91 89.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.962 0.41 . . . . 0.0 110.888 179.628 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 80' ' ' LEU . . . . . 0.632 ' O ' HD23 ' B' ' 84' ' ' LEU . 2.4 mm? -67.15 -36.03 80.95 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.228 177.716 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . 0.715 ' HG ' ' O ' ' B' ' 77' ' ' ILE . 33.4 mt -76.18 -34.47 59.33 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 120.754 0.311 . . . . 0.0 111.619 -175.332 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 82' ' ' GLU . . . . . 0.465 ' OE1' ' HD2' ' B' ' 38' ' ' ARG . 61.2 mt-10 -67.9 -17.75 64.57 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.335 0.588 . . . . 0.0 110.314 172.5 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 83' ' ' LEU . . . . . 0.471 HD22 HG12 ' B' ' 58' ' ' ILE . 50.9 tp -84.69 -44.63 13.23 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.596 174.104 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 84' ' ' LEU . . . . . 0.632 HD23 ' O ' ' B' ' 80' ' ' LEU . 3.8 mm? -67.51 -5.07 13.45 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.566 -0.743 . . . . 0.0 112.124 -177.051 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 1.4 p -99.62 -23.39 15.07 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 120.79 0.329 . . . . 0.0 110.655 177.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 86' ' ' ALA . . . . . 0.402 ' HB2' HG13 ' B' ' 39' ' ' VAL . . . -77.84 -47.88 17.77 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-O 121.184 0.516 . . . . 0.0 110.534 -178.739 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 87' ' ' LEU . . . . . 0.482 HD12 HG13 ' B' ' 88' ' ' VAL . 1.5 pp -72.21 -20.24 61.6 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.512 -0.767 . . . . 0.0 112.914 -172.244 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 88' ' ' VAL . . . . . 0.643 HG11 HD11 ' A' ' 54' ' ' LEU . 14.1 m -90.95 -20.81 6.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 C-N-CA 120.468 -0.493 . . . . 0.0 110.867 176.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 89' ' ' HIS . . . . . . . . . . . . . 69.7 t60 -71.51 -32.43 68.18 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.065 178.393 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 90' ' ' VAL . . . . . 0.469 HG22 ' O ' ' B' ' 87' ' ' LEU . 10.5 m -65.7 -25.55 36.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.12 -177.179 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 91' ' ' LEU . . . . . 0.649 ' HA ' ' HB3' ' B' ' 94' ' ' ALA . 3.7 mm? -64.01 -24.16 67.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.4 -0.363 . . . . 0.0 110.826 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 47.5 t -57.54 -30.03 64.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.878 178.647 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . 0.569 ' HB2' HG12 ' A' ' 99' ' ' VAL . 15.2 m -123.19 15.45 9.82 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-O 121.26 0.552 . . . . 0.0 110.656 -179.831 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 94' ' ' ALA . . . . . 0.649 ' HB3' ' HA ' ' B' ' 91' ' ' LEU . . . -111.31 95.05 5.29 Favored 'General case' 0 N--CA 1.447 -0.601 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.582 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 15.3 t -76.39 87.5 3.16 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.562 178.569 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 96' ' ' ILE . . . . . 0.661 HD13 ' HB1' ' A' ' 47' ' ' ALA . 16.6 tt -66.07 140.21 19.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.889 -179.295 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 97' ' ' GLY . . . . . . . . . . . . . . . -93.74 -89.06 1.63 Allowed Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.611 -0.804 . . . . 0.0 112.9 -177.808 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 98' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -137.57 119.58 15.42 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.646 0.26 . . . . 0.0 110.726 -177.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 99' ' ' VAL . . . . . 0.461 ' CG1' HD11 ' B' ' 96' ' ' ILE . 5.6 m -109.97 141.36 25.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.822 179.235 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 100' ' ' SER . . . . . . . . . . . . . 43.3 t -108.2 156.7 19.04 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.917 -179.343 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 101' ' ' SER . . . . . 0.408 ' HB3' ' HB2' ' A' ' 40' ' ' SER . 24.7 m -78.0 -10.15 59.46 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.19 0.519 . . . . 0.0 110.447 178.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 43.1 t -82.34 102.25 8.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.328 -175.809 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . 132.13 -9.56 5.39 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.612 -0.804 . . . . 0.0 113.132 175.181 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 104' ' ' VAL . . . . . . . . . . . . . 21.9 t -59.78 -32.64 50.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 177.306 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -48.52 -49.23 36.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.012 -0.995 . . . . 0.0 110.282 173.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 15.4 m -72.87 -38.69 66.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.295 -0.866 . . . . 0.0 111.23 -177.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 17.3 m -63.46 -29.04 70.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.519 0.676 . . . . 0.0 110.714 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 108' ' ' LEU . . . . . 0.501 HD21 HG21 ' A' ' 39' ' ' VAL . 5.5 mt -69.26 -23.24 63.82 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.329 177.841 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 109' ' ' ASN . . . . . 0.416 ' N ' HD22 ' B' ' 109' ' ' ASN . 0.9 OUTLIER -74.05 -30.6 62.49 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.759 0.314 . . . . 0.0 111.105 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 110' ' ' VAL . . . . . . . . . . . . . 8.9 p -89.22 -29.42 5.16 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.276 0 N-CA-C 111.868 0.321 . . . . 0.0 111.868 -176.196 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 111' ' ' VAL . . . . . 0.409 HG12 ' O ' ' B' ' 108' ' ' LEU . 12.2 p -63.48 -30.56 50.13 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.269 0 CA-C-O 121.358 0.599 . . . . 0.0 110.186 178.265 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 112' ' ' GLN . . . . . 0.495 ' HG3' ' O ' ' B' ' 108' ' ' LEU . 27.2 mt-30 -65.56 -27.31 68.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.448 -0.797 . . . . 0.0 111.054 179.504 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 113' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -80.73 -24.28 38.86 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.958 -172.397 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 7.0 m -86.79 -35.81 18.92 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.698 -0.683 . . . . 0.0 112.079 -171.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 115' ' ' VAL . . . . . . . . . . . . . 13.3 p -122.79 -18.07 4.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 N-CA-C 112.018 0.377 . . . . 0.0 112.018 -172.653 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 116' ' ' GLY . . . . . 0.492 ' HA2' HG21 ' A' ' 27' ' ' VAL . . . -61.66 -25.52 65.58 Favored Glycine 0 C--O 1.228 -0.266 0 C-N-CA 121.089 -0.576 . . . . 0.0 113.073 -175.322 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 117' ' ' GLN . . . . . 0.439 HE21 ' HB2' ' B' ' 117' ' ' GLN . 0.0 OUTLIER -88.15 -5.82 58.22 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.847 0.356 . . . . 0.0 111.592 -179.48 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 118' ' ' TYR . . . . . . . . . . . . . 80.8 m-85 -97.54 -30.67 12.74 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.086 0.469 . . . . 0.0 109.774 177.396 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 119' ' ' VAL . . . . . 0.454 ' O ' ' HB3' ' A' ' 22' ' ' SER . 34.0 m -89.75 -0.99 9.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.36 178.181 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.978 0 CA-C-O 118.5 -1.167 . . . . 0.0 111.863 178.823 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.699 0 N-CA-C 111.723 -0.551 . . . . 0.0 111.723 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 48.8 m 60.5 81.14 0.19 Allowed 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 121.502 0.668 . . . . 0.0 111.316 -178.412 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . -150.6 42.54 0.75 Allowed Glycine 0 N--CA 1.443 -0.839 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 177.733 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' -2' ' ' ASN . . . . . . . . . . . . . 63.2 t30 -79.97 98.02 7.0 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.149 0.5 . . . . 0.0 110.542 -176.769 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 74.1 m -149.53 127.1 11.6 Favored 'General case' 0 C--N 1.317 -0.812 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 174.674 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 20.9 m -76.34 124.76 35.18 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-O 121.51 0.671 . . . . 0.0 112.562 -170.009 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 5.1 t -139.67 104.91 5.02 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.246 -0.888 . . . . 0.0 109.288 170.256 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.9 m -89.16 18.82 4.69 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.161 -177.499 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -70.87 129.86 19.15 Favored Glycine 0 N--CA 1.447 -0.597 0 C-N-CA 120.853 -0.689 . . . . 0.0 111.916 178.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 89.54 -87.75 1.46 Allowed Glycine 0 N--CA 1.448 -0.528 0 C-N-CA 120.996 -0.621 . . . . 0.0 112.586 179.09 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 50.8 p90 -66.62 -21.34 66.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.737 0.304 . . . . 0.0 111.286 -175.675 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -84.15 -1.94 89.46 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.414 -178.422 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 71.0 m-85 -116.67 -63.63 1.42 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.824 0.345 . . . . 0.0 110.321 177.497 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -151.61 99.6 0.19 Allowed Glycine 0 N--CA 1.442 -0.903 0 C-N-CA 120.659 -0.781 . . . . 0.0 112.16 -178.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 43.2 p -71.36 -45.23 63.39 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.23 0.538 . . . . 0.0 110.329 177.556 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 53.8 m -151.52 -173.47 4.52 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.604 179.472 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -77.58 56.14 1.4 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.061 0.457 . . . . 0.0 111.59 -178.602 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -122.21 2.98 9.82 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.671 0.748 . . . . 0.0 109.717 176.29 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.436 ' O ' ' HB3' ' A' ' 24' ' ' ALA . . . -153.97 169.2 24.04 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 114.757 -1.111 . . . . 0.0 108.742 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.514 ' HA3' ' H ' ' A' ' 25' ' ' GLY . . . 163.74 61.99 0.02 OUTLIER Glycine 0 N--CA 1.444 -0.824 0 C-N-CA 119.348 -1.406 . . . . 0.0 113.235 -179.753 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -132.64 95.78 3.68 Favored 'General case' 0 C--N 1.307 -1.248 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 177.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 61.28 32.65 81.52 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.004 -171.305 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 4.2 m -73.99 -34.53 39.42 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.253 0 CA-C-O 121.034 0.445 . . . . 0.0 111.127 -178.781 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -142.32 152.18 42.69 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.281 179.379 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -77.36 64.87 2.81 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.815 0.34 . . . . 0.0 110.417 179.051 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.464 ' CA ' ' HA3' ' B' ' 21' ' ' GLY . . . 148.32 -22.16 1.38 Allowed Glycine 0 N--CA 1.449 -0.486 0 C-N-CA 121.054 -0.593 . . . . 0.0 112.592 -178.128 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 17.0 m -124.5 129.69 51.09 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.63 0.252 . . . . 0.0 111.538 -178.582 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.604 ' CE1' ' HA ' ' A' ' 74' ' ' GLU . 0.0 OUTLIER -156.26 121.41 4.73 Favored 'General case' 0 CA--C 1.52 -0.177 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 179.914 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.438 ' H ' ' HA3' ' A' ' 15' ' ' GLY . . . -83.85 -21.13 32.13 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-O 120.934 0.397 . . . . 0.0 111.633 179.702 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.514 ' H ' ' HA3' ' A' ' 15' ' ' GLY . . . -66.85 -29.08 74.14 Favored Glycine 0 CA--C 1.51 -0.247 0 C-N-CA 121.349 -0.453 . . . . 0.0 112.072 -176.773 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.523 ' HB1' ' HB2' ' A' ' 78' ' ' GLN . . . -68.81 -15.28 63.46 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.109 0.48 . . . . 0.0 110.031 178.219 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.462 HG22 HD11 ' A' ' 81' ' ' LEU . 3.5 t -95.15 -44.82 13.3 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.318 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.872 -176.678 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.409 HD22 ' HA2' ' A' ' 25' ' ' GLY . 37.4 m-80 -64.83 -25.62 67.98 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-O 120.855 0.359 . . . . 0.0 111.542 -176.223 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 2.0 ptm180 -81.54 3.59 24.42 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.554 -175.177 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.533 HD11 ' HB3' ' A' ' 81' ' ' LEU . 82.9 mt -80.94 -17.74 49.46 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.235 -178.168 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 13.4 p -79.46 5.01 13.88 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.038 0.447 . . . . 0.0 111.068 -177.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 33.7 t -96.26 158.28 15.51 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.057 177.379 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -58.77 -21.15 55.11 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 121.084 0.468 . . . . 0.0 111.376 -179.499 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -48.83 -58.46 4.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 114.996 -1.002 . . . . 0.0 110.992 178.177 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.65 ' O ' HG23 ' A' ' 39' ' ' VAL . . . -68.63 -50.62 49.98 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.384 -0.825 . . . . 0.0 110.724 179.8 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -47.35 -39.94 16.19 Favored 'General case' 0 N--CA 1.465 0.288 0 O-C-N 123.399 0.437 . . . . 0.0 111.96 -176.301 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 60.7 m -71.91 -26.65 62.4 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.981 -178.435 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.413 HH11 ' HD3' ' A' ' 38' ' ' ARG . 20.3 mtm180 -92.03 -40.77 10.9 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.675 0.75 . . . . 0.0 109.463 -177.17 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.65 HG23 ' O ' ' A' ' 35' ' ' ALA . 40.4 t -64.05 -46.25 94.32 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.926 0 CA-C-N 114.425 -1.262 . . . . 0.0 110.491 179.11 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.507 ' HA ' HG23 ' A' ' 43' ' ' ILE . 33.1 t -75.63 -9.89 58.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.301 -178.761 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 32.5 t -82.85 -7.74 59.63 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 177.667 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 47.9 m-80 -124.85 0.13 8.0 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.717 -178.174 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.507 HG23 ' HA ' ' A' ' 40' ' ' SER . 2.3 pt -63.07 -38.38 81.89 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 CA-C-O 120.924 0.393 . . . . 0.0 110.706 177.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.414 ' N ' HG13 ' A' ' 43' ' ' ILE . . . -78.3 -7.97 57.85 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.031 -179.737 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -90.23 -55.76 3.48 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.644 -178.809 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.452 HG21 ' HB3' ' A' ' 87' ' ' LEU . 45.8 mt -64.03 -33.6 63.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.604 -178.641 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.629 ' HB1' HD13 ' B' ' 96' ' ' ILE . . . -63.7 -23.68 67.47 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.645 -178.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 22.8 t -98.41 -24.27 15.25 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.936 -0.574 . . . . 0.0 111.063 -177.417 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -103.28 -28.2 6.2 Favored Glycine 0 N--CA 1.453 -0.192 0 C-N-CA 120.475 -0.869 . . . . 0.0 113.227 -175.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 75.14 -76.5 1.24 Allowed Glycine 0 N--CA 1.448 -0.566 0 N-CA-C 110.905 -0.878 . . . . 0.0 110.905 -177.649 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -121.79 -22.2 5.86 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-O 121.134 0.492 . . . . 0.0 110.385 178.226 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 4.4 m -70.87 -12.72 61.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.674 -177.405 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -96.0 -13.35 23.85 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.035 -178.645 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.428 ' N ' ' HD2' ' A' ' 55' ' ' PRO . 47.1 mt -55.01 -57.85 17.56 Favored Pre-proline 0 CA--C 1.535 0.387 0 N-CA-C 111.964 0.357 . . . . 0.0 111.964 -177.245 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.428 ' HD2' ' N ' ' A' ' 54' ' ' LEU . 20.2 Cg_endo -62.23 -23.6 75.49 Favored 'Trans proline' 0 C--N 1.353 0.786 0 C-N-CA 122.141 1.894 . . . . 0.0 112.307 -177.592 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 10.0 m -84.02 -43.93 14.65 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.791 -179.409 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 64.5 t -76.54 -39.45 32.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.379 -173.716 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.44 HG12 ' HG ' ' A' ' 83' ' ' LEU . 62.6 mt -62.21 -39.67 84.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.248 176.18 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 21.1 t -68.05 -31.28 70.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.043 0.449 . . . . 0.0 110.193 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 90.0 m-20 -66.8 -55.65 13.96 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.797 176.335 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.454 ' O ' HG23 ' A' ' 65' ' ' VAL . 59.9 mt -68.55 -46.57 79.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.814 -175.15 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.544 ' O ' HG23 ' A' ' 66' ' ' VAL . 51.6 t80 -55.49 -54.5 43.14 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.804 0.335 . . . . 0.0 110.564 -177.027 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 16.5 m -61.23 -32.52 72.3 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.844 -179.585 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -69.41 -36.57 78.06 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.813 -0.708 . . . . 0.0 111.924 179.337 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.671 HG12 HG11 ' A' ' 70' ' ' VAL . 93.9 t -73.99 -42.24 52.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-O 120.66 0.267 . . . . 0.0 110.522 177.752 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.544 HG23 ' O ' ' A' ' 62' ' ' TYR . 87.1 t -60.16 -35.95 64.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.954 0.406 . . . . 0.0 110.969 179.774 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -72.11 -2.28 17.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.902 179.237 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 28.0 t -91.83 -1.46 57.33 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.697 0.284 . . . . 0.0 110.843 179.568 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 83.12 29.97 32.52 Favored Glycine 0 C--N 1.33 0.23 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.111 179.509 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.671 HG11 HG12 ' A' ' 65' ' ' VAL . 10.7 p -84.88 162.27 2.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 N-CA-C 110.08 -0.341 . . . . 0.0 110.08 -179.161 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 19.7 m -68.49 146.75 52.86 Favored 'General case' 0 N--CA 1.447 -0.577 0 N-CA-C 110.129 -0.323 . . . . 0.0 110.129 175.613 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 21.7 p -49.69 -67.36 0.27 Allowed 'General case' 0 CA--C 1.534 0.327 0 N-CA-C 113.337 0.866 . . . . 0.0 113.337 -173.038 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.428 ' ND2' ' HA2' ' A' ' 21' ' ' GLY . 4.3 t30 -73.73 -16.41 61.18 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.21 0.528 . . . . 0.0 110.747 -175.786 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.604 ' HA ' ' CE1' ' A' ' 23' ' ' TYR . 36.5 tt0 -73.41 -31.86 64.09 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 177.674 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.421 ' HB2' ' CG1' ' A' ' 70' ' ' VAL . . . -61.56 -36.33 80.32 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 115.203 -0.908 . . . . 0.0 110.768 176.388 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.58 HD23 ' HB3' ' A' ' 118' ' ' TYR . 2.7 tm? -56.2 -54.09 49.35 Favored 'General case' 0 CA--C 1.517 -0.317 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 177.789 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.754 ' O ' ' HG ' ' A' ' 81' ' ' LEU . 35.2 mm -59.86 -55.08 26.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.953 -177.866 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . 0.523 ' HB2' ' HB1' ' A' ' 26' ' ' ALA . 26.7 tt0 -57.08 -46.64 82.36 Favored 'General case' 0 C--O 1.233 0.217 0 C-N-CA 121.226 -0.19 . . . . 0.0 111.441 -179.271 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.96 -41.29 96.06 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.798 0.332 . . . . 0.0 110.615 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.554 ' O ' HD23 ' A' ' 84' ' ' LEU . 2.6 mm? -64.02 -41.67 97.36 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.024 177.528 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.754 ' HG ' ' O ' ' A' ' 77' ' ' ILE . 47.6 mt -61.93 -47.09 86.44 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.819 0.343 . . . . 0.0 110.863 -179.546 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 53.1 mt-10 -65.12 -36.72 85.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.734 178.133 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.44 ' HG ' HG12 ' A' ' 58' ' ' ILE . 3.5 tm? -61.7 -44.51 96.79 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.007 176.14 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.554 HD23 ' O ' ' A' ' 80' ' ' LEU . 3.8 mm? -68.18 -7.15 27.61 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.644 -0.707 . . . . 0.0 112.147 -177.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 35.6 m -97.78 -31.34 12.29 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.02 0.438 . . . . 0.0 111.108 -177.23 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -71.21 -46.48 61.12 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.278 0.561 . . . . 0.0 110.988 -176.643 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.452 ' HB3' HG21 ' A' ' 46' ' ' ILE . 0.9 OUTLIER -77.42 -16.08 59.0 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 113.115 0.783 . . . . 0.0 113.115 -171.796 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.436 ' N ' HD12 ' A' ' 87' ' ' LEU . 16.9 m -93.58 -22.31 5.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 C-N-CA 120.314 -0.554 . . . . 0.0 110.843 176.887 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . 0.41 ' CD2' HG22 ' B' ' 104' ' ' VAL . 79.8 t60 -70.84 -34.47 71.7 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-O 120.872 0.367 . . . . 0.0 110.086 177.691 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.414 ' HA ' HG11 ' B' ' 99' ' ' VAL . 25.9 m -64.15 -27.87 43.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.214 -175.638 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.598 ' HA ' ' HB3' ' A' ' 94' ' ' ALA . 4.0 mm? -63.64 -24.83 67.95 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.352 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 26.1 t -59.71 -31.76 69.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.024 0.44 . . . . 0.0 110.56 179.148 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.67 ' HB2' HG12 ' B' ' 99' ' ' VAL . 75.5 m -112.36 -10.4 13.78 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.644 0.735 . . . . 0.0 110.564 -177.595 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.598 ' HB3' ' HA ' ' A' ' 91' ' ' LEU . . . -89.47 90.03 8.11 Favored 'General case' 0 C--N 1.313 -0.992 0 CA-C-N 115.147 -0.933 . . . . 0.0 110.627 -179.8 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 12.9 m -65.83 93.92 0.2 Allowed 'General case' 0 N--CA 1.428 -1.543 0 CA-C-N 115.419 -0.81 . . . . 0.0 110.248 176.258 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.693 HD13 ' HB1' ' B' ' 47' ' ' ALA . 20.6 tt -76.09 148.29 7.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.702 -175.859 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -91.56 -108.21 1.56 Allowed Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.98 -0.629 . . . . 0.0 112.032 178.112 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 10.8 t30 -130.84 111.88 12.51 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.107 0.479 . . . . 0.0 110.259 179.343 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.547 ' CG1' HD11 ' A' ' 96' ' ' ILE . 5.7 m -86.35 138.29 19.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 115.604 -0.725 . . . . 0.0 111.157 -178.433 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 18.4 m -91.61 154.21 19.2 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.224 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 5.9 m -86.46 3.94 41.79 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.279 0.561 . . . . 0.0 110.65 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 40.4 t -106.16 112.29 38.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.645 -175.552 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 129.92 -14.17 5.74 Favored Glycine 0 N--CA 1.449 -0.45 0 CA-C-N 115.855 -0.611 . . . . 0.0 112.495 177.145 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 19.2 t -59.27 -33.41 50.79 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.271 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 176.719 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -51.69 -43.37 62.74 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 114.968 -1.015 . . . . 0.0 110.577 175.414 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 20.0 m -80.82 -35.74 32.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.56 -177.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 24.1 m -61.88 -32.43 72.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.399 0.619 . . . . 0.0 110.517 179.571 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.55 HD21 HG21 ' B' ' 39' ' ' VAL . 3.3 mt -64.31 -26.29 68.42 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.683 -0.689 . . . . 0.0 111.777 176.362 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . 0.475 HD22 ' N ' ' A' ' 109' ' ' ASN . 0.9 OUTLIER -73.43 -32.17 64.25 Favored 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 121.006 -0.278 . . . . 0.0 111.046 -177.322 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 8.7 p -87.28 -28.69 5.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 N-CA-C 111.781 0.289 . . . . 0.0 111.781 -175.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.531 HG12 ' O ' ' A' ' 108' ' ' LEU . 7.9 p -63.14 -30.02 48.66 Favored 'Isoleucine or valine' 0 C--O 1.234 0.247 0 CA-C-O 121.532 0.682 . . . . 0.0 109.992 177.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . 0.521 ' HG2' HG12 ' B' ' 27' ' ' VAL . 26.5 mt-30 -64.38 -32.43 74.04 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.125 -0.943 . . . . 0.0 111.48 -178.223 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -70.95 -34.42 71.44 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.969 -177.109 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 6.0 m -78.55 -34.93 46.7 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.541 -0.754 . . . . 0.0 112.239 -171.521 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.654 HG11 HD22 ' B' ' 81' ' ' LEU . 7.6 p -113.19 -25.15 3.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 N-CA-C 111.844 0.312 . . . . 0.0 111.844 -173.836 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -59.21 -26.07 60.92 Favored Glycine 0 C--N 1.33 0.221 0 C-N-CA 121.21 -0.519 . . . . 0.0 112.776 -176.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.75 2.22 34.94 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 111.699 0.259 . . . . 0.0 111.699 -178.295 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . 0.58 ' HB3' HD23 ' A' ' 76' ' ' LEU . 74.7 m-85 -114.81 -34.51 5.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.735 0.302 . . . . 0.0 110.655 177.498 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.406 HG21 HG21 ' B' ' 27' ' ' VAL . 33.8 m -83.2 0.11 4.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.429 178.565 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.517 0 C-N-CA 120.961 -0.638 . . . . 0.0 111.734 177.513 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.362 0 N-CA-C 112.123 -0.391 . . . . 0.0 112.123 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' -4' ' ' SER . . . . . . . . . . . . . 24.5 t -110.33 102.41 11.07 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 177.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' -3' ' ' GLY . . . . . . . . . . . . . . . 123.29 76.7 0.35 Allowed Glycine 0 N--CA 1.444 -0.812 0 C-N-CA 120.896 -0.668 . . . . 0.0 111.856 -178.143 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' -2' ' ' ASN . . . . . . . . . . . . . 14.3 t30 -57.57 106.49 0.35 Allowed 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 177.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' -1' ' ' SER . . . . . . . . . . . . . 14.2 m -83.81 96.1 8.66 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.522 -0.763 . . . . 0.0 111.978 -168.255 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 48.0 t -89.36 109.1 19.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.621 174.746 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 10.2 t -157.54 146.59 19.76 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 110.143 -0.318 . . . . 0.0 110.143 178.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 23.2 t -78.45 89.86 4.44 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.032 0.444 . . . . 0.0 110.457 -178.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -97.3 71.32 0.72 Allowed Glycine 0 N--CA 1.447 -0.598 0 C-N-CA 120.816 -0.707 . . . . 0.0 111.797 177.467 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . 82.2 -54.73 4.9 Favored Glycine 0 CA--C 1.52 0.364 0 C-N-CA 120.932 -0.652 . . . . 0.0 112.972 178.195 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 6' ' ' TYR . . . . . . . . . . . . . 46.7 p90 -60.24 -21.05 61.38 Favored 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 122.699 0.399 . . . . 0.0 111.739 -177.484 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -77.83 -13.7 83.15 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.413 -179.395 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 81.6 m-85 -111.49 -61.1 1.75 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.121 0.486 . . . . 0.0 110.17 179.289 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -143.53 106.59 0.43 Allowed Glycine 0 N--CA 1.444 -0.805 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.352 -178.242 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 22.8 p -76.38 -41.95 46.18 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.013 0.435 . . . . 0.0 110.954 -179.042 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 51.1 m -156.43 -179.59 8.31 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.906 178.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -72.36 3.07 5.11 Favored 'General case' 0 N--CA 1.465 0.291 0 N-CA-C 112.076 0.398 . . . . 0.0 112.076 -176.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -87.11 0.84 54.63 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.895 0.378 . . . . 0.0 110.918 179.663 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -127.93 153.0 47.18 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.091 179.541 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 15' ' ' GLY . . . . . 0.578 ' O ' ' HA3' ' B' ' 25' ' ' GLY . . . 173.57 103.8 0.17 Allowed Glycine 0 N--CA 1.445 -0.762 0 C-N-CA 120.202 -0.999 . . . . 0.0 113.263 -178.403 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 16' ' ' ALA . . . . . 0.548 ' H ' HG13 ' B' ' 18' ' ' VAL . . . -172.65 98.48 0.14 Allowed 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 173.888 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 59.71 28.68 65.86 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.689 -0.767 . . . . 0.0 111.893 -172.2 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . 0.548 HG13 ' H ' ' B' ' 16' ' ' ALA . 2.4 m -75.14 -51.82 20.42 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.181 0 N-CA-C 112.131 0.419 . . . . 0.0 112.131 -174.54 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -134.11 136.01 43.6 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 -178.795 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.53 -18.42 7.34 Favored 'General case' 0 N--CA 1.468 0.433 0 N-CA-C 113.223 0.823 . . . . 0.0 113.223 -172.519 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . 0.464 ' HA3' ' CA ' ' A' ' 21' ' ' GLY . . . -131.02 19.91 4.85 Favored Glycine 0 N--CA 1.446 -0.636 0 C-N-CA 120.381 -0.914 . . . . 0.0 112.495 179.083 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 3.5 m -160.07 122.62 3.37 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.997 0.427 . . . . 0.0 111.831 -177.203 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -148.14 121.53 9.05 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 175.739 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -76.94 -31.25 56.49 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 121.16 0.505 . . . . 0.0 111.235 -178.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . 0.578 ' HA3' ' O ' ' B' ' 15' ' ' GLY . . . -66.23 -23.45 71.55 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.984 -0.627 . . . . 0.0 112.956 -177.523 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 26' ' ' ALA . . . . . 0.463 ' HB1' ' HB2' ' B' ' 78' ' ' GLN . . . -72.26 -12.56 61.21 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.448 0.642 . . . . 0.0 109.649 176.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . 0.536 HG22 ' CD1' ' B' ' 81' ' ' LEU . 3.5 t -98.55 -44.47 12.13 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.559 0 CA-C-N 114.894 -1.048 . . . . 0.0 110.084 178.322 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 28' ' ' ASN . . . . . 0.411 HD22 ' HA2' ' B' ' 25' ' ' GLY . 64.0 m-80 -62.85 -27.27 69.22 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 120.775 0.321 . . . . 0.0 111.601 -177.485 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 6.3 ptp180 -78.72 0.68 25.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.361 -177.687 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . 0.415 ' HG ' ' O ' ' B' ' 27' ' ' VAL . 76.1 mt -79.76 -18.39 51.18 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.968 0.413 . . . . 0.0 110.936 -179.263 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 49.0 m -75.65 -2.09 27.76 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.614 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 72.8 m -87.06 149.51 24.67 Favored 'General case' 0 N--CA 1.44 -0.962 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.344 178.244 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.84 -16.03 60.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.954 0.407 . . . . 0.0 111.547 -177.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -57.66 -48.91 78.18 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.399 177.719 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 35' ' ' ALA . . . . . 0.668 ' O ' HG23 ' B' ' 39' ' ' VAL . . . -59.31 -53.08 62.34 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.667 -0.697 . . . . 0.0 109.972 177.085 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -51.11 -35.29 34.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.837 -177.646 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 42.2 t -70.49 -21.93 62.71 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.411 -177.735 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 38' ' ' ARG . . . . . 0.443 ' HD2' ' OE1' ' B' ' 82' ' ' GLU . 56.4 mtt180 -99.2 -47.64 5.12 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.947 0.88 . . . . 0.0 109.17 -178.724 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . 0.668 HG23 ' O ' ' B' ' 35' ' ' ALA . 34.3 t -59.85 -43.1 91.23 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-N 114.062 -1.426 . . . . 0.0 111.047 -178.268 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 40' ' ' SER . . . . . 0.456 ' HA ' HG23 ' B' ' 43' ' ' ILE . 35.9 t -78.05 -6.33 54.26 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.854 0.359 . . . . 0.0 111.411 -178.818 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 47.9 t -84.39 -13.78 51.27 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.505 0.669 . . . . 0.0 109.47 177.096 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 45.3 m-80 -121.65 1.58 10.03 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.625 -175.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 43' ' ' ILE . . . . . 0.456 HG23 ' HA ' ' B' ' 40' ' ' SER . 2.0 pt -61.92 -37.83 79.17 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.18 0 CA-C-O 120.957 0.408 . . . . 0.0 110.478 177.264 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -76.62 -15.89 59.71 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.033 -179.022 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -82.97 -53.28 5.95 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.999 -176.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 46' ' ' ILE . . . . . 0.484 HG21 ' HB3' ' B' ' 87' ' ' LEU . 48.8 mt -64.31 -32.33 57.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.121 -179.28 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . 0.693 ' HB1' HD13 ' A' ' 96' ' ' ILE . . . -63.56 -23.79 67.54 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.078 177.268 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 24.9 t -92.77 -50.53 5.53 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.134 -177.697 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -88.18 -18.23 56.04 Favored Glycine 0 CA--C 1.52 0.398 0 C-N-CA 120.773 -0.727 . . . . 0.0 113.626 -174.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 73.25 -80.24 0.74 Allowed Glycine 0 N--CA 1.451 -0.348 0 N-CA-C 111.775 -0.53 . . . . 0.0 111.775 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -116.92 -24.62 7.55 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-O 121.055 0.455 . . . . 0.0 110.195 179.565 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 5.3 t -74.6 -9.56 58.69 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.013 -0.54 . . . . 0.0 109.982 -177.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -91.36 -14.27 31.01 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.628 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 54' ' ' LEU . . . . . 0.423 ' N ' ' HD2' ' B' ' 55' ' ' PRO . 49.2 mt -55.59 -57.79 19.13 Favored Pre-proline 0 CA--C 1.534 0.353 0 CA-C-N 116.632 -0.258 . . . . 0.0 111.53 -179.291 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 55' ' ' PRO . . . . . 0.423 ' HD2' ' N ' ' B' ' 54' ' ' LEU . 16.8 Cg_endo -60.44 -28.25 86.38 Favored 'Trans proline' 0 C--N 1.35 0.62 0 C-N-CA 122.18 1.92 . . . . 0.0 112.288 179.758 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 8.0 m -76.4 -42.09 45.58 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.054 0.454 . . . . 0.0 110.485 179.096 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 53.5 t -85.68 -42.69 16.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.694 -171.2 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 58' ' ' ILE . . . . . 0.552 HG12 ' HG ' ' B' ' 83' ' ' LEU . 50.6 mt -55.85 -44.03 76.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 121.083 0.468 . . . . 0.0 110.308 178.538 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 75.1 m -69.59 -28.72 66.2 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.886 -178.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -67.57 -51.38 51.26 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-O 121.241 0.543 . . . . 0.0 110.699 176.503 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 54.8 mt -70.13 -42.29 79.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.918 -177.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 62' ' ' TYR . . . . . 0.455 ' O ' HG23 ' B' ' 66' ' ' VAL . 62.3 t80 -55.65 -52.23 64.52 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.604 -178.595 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 22.3 m -61.52 -33.03 73.12 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.773 179.678 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -70.24 -38.56 71.87 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.789 -0.719 . . . . 0.0 111.781 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 65' ' ' VAL . . . . . 0.672 HG12 HG11 ' B' ' 70' ' ' VAL . 92.9 t -71.96 -48.01 52.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-O 120.802 0.334 . . . . 0.0 111.181 178.45 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 66' ' ' VAL . . . . . 0.455 HG23 ' O ' ' B' ' 62' ' ' TYR . 96.2 t -58.76 -33.91 50.51 Favored 'Isoleucine or valine' 0 C--O 1.235 0.309 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.177 -178.188 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.94 -12.79 53.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.449 . . . . 0.0 112.031 179.51 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 34.7 t -80.02 -12.24 59.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.038 0.447 . . . . 0.0 110.769 179.302 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 101.72 2.98 52.8 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.51 -0.852 . . . . 0.0 112.27 178.478 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.672 HG11 HG12 ' B' ' 65' ' ' VAL . 10.3 p -66.69 156.79 6.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 N-CA-C 110.376 -0.231 . . . . 0.0 110.376 179.11 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 10.4 t -71.77 155.16 40.76 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 110.209 -0.293 . . . . 0.0 110.209 179.129 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 3.0 p -56.14 -58.76 6.57 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 113.261 0.837 . . . . 0.0 113.261 -172.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -73.14 -25.92 61.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 122.229 -0.294 . . . . 0.0 110.652 -174.148 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -71.52 -35.66 70.79 Favored 'General case' 0 C--N 1.332 -0.161 0 N-CA-C 109.546 -0.538 . . . . 0.0 109.546 174.254 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . 0.581 ' HB2' HG13 ' B' ' 70' ' ' VAL . . . -62.7 -38.57 90.94 Favored 'General case' 0 C--O 1.223 -0.296 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.574 176.303 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 76' ' ' LEU . . . . . 0.482 HD23 ' HB3' ' B' ' 118' ' ' TYR . 2.8 tm? -52.65 -52.03 57.46 Favored 'General case' 0 CA--C 1.518 -0.261 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 177.15 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 77' ' ' ILE . . . . . 0.642 ' O ' ' HG ' ' B' ' 81' ' ' LEU . 42.1 mm -62.1 -54.97 27.36 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.906 -178.125 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 78' ' ' GLN . . . . . 0.463 ' HB2' ' HB1' ' B' ' 26' ' ' ALA . 24.1 tt0 -57.5 -47.84 80.84 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.323 -179.059 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.3 -40.64 97.92 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.818 -178.755 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 80' ' ' LEU . . . . . 0.665 ' O ' ' HG ' ' B' ' 84' ' ' LEU . 2.8 mm? -62.06 -43.41 98.9 Favored 'General case' 0 C--O 1.221 -0.414 0 CA-C-N 116.594 -0.275 . . . . 0.0 110.473 176.491 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . 0.654 HD22 HG11 ' A' ' 115' ' ' VAL . 15.7 mt -68.87 -40.6 79.18 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.597 0.237 . . . . 0.0 111.369 -177.486 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 82' ' ' GLU . . . . . 0.443 ' OE1' ' HD2' ' B' ' 38' ' ' ARG . 50.2 mt-10 -60.85 -37.4 81.97 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.243 0.544 . . . . 0.0 110.019 172.32 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 83' ' ' LEU . . . . . 0.552 ' HG ' HG12 ' B' ' 58' ' ' ILE . 3.4 tm? -63.21 -44.17 96.09 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.421 176.172 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 84' ' ' LEU . . . . . 0.665 ' HG ' ' O ' ' B' ' 80' ' ' LEU . 13.0 mt -64.38 -16.76 62.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.004 -177.106 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 28.1 m -89.87 -28.16 19.43 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 121.035 0.445 . . . . 0.0 110.82 -174.54 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 86' ' ' ALA . . . . . 0.44 ' O ' HG13 ' B' ' 90' ' ' VAL . . . -71.0 -42.74 69.22 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.23 0.538 . . . . 0.0 110.76 -178.102 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 87' ' ' LEU . . . . . 0.52 HD12 ' N ' ' B' ' 88' ' ' VAL . 1.6 pp -82.18 -22.74 35.87 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.604 -0.725 . . . . 0.0 112.829 -171.749 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 88' ' ' VAL . . . . . 0.52 ' N ' HD12 ' B' ' 87' ' ' LEU . 17.2 m -86.37 -21.88 7.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 C-N-CA 119.97 -0.692 . . . . 0.0 110.571 177.118 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 89' ' ' HIS . . . . . . . . . . . . . 72.3 t60 -71.41 -37.42 71.52 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.196 178.294 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 90' ' ' VAL . . . . . 0.489 HG22 ' O ' ' B' ' 87' ' ' LEU . 23.7 m -64.4 -27.24 42.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.464 -175.366 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 91' ' ' LEU . . . . . 0.617 ' HA ' ' HB3' ' B' ' 94' ' ' ALA . 3.3 mm? -64.41 -26.18 68.34 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.316 -179.618 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 36.9 t -62.32 -27.62 69.16 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.605 -179.311 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . 0.515 ' HB2' HG12 ' A' ' 99' ' ' VAL . 19.7 m -117.5 12.61 14.2 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-O 121.241 0.543 . . . . 0.0 110.505 178.632 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 94' ' ' ALA . . . . . 0.617 ' HB3' ' HA ' ' B' ' 91' ' ' LEU . . . -108.76 98.36 7.87 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.427 179.028 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 5.1 t -76.81 87.39 3.41 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 96' ' ' ILE . . . . . 0.72 HD11 HG13 ' B' ' 99' ' ' VAL . 17.0 tt -62.59 148.38 10.86 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.314 0 CA-C-N 115.52 -0.763 . . . . 0.0 111.667 -178.421 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 97' ' ' GLY . . . . . . . . . . . . . . . -93.88 -85.98 1.62 Allowed Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.867 -0.682 . . . . 0.0 111.731 178.341 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 98' ' ' ASN . . . . . . . . . . . . . 11.2 t30 -150.88 123.54 8.54 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.874 0.369 . . . . 0.0 110.767 177.011 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 99' ' ' VAL . . . . . 0.72 HG13 HD11 ' B' ' 96' ' ' ILE . 4.8 m -98.36 152.95 4.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.901 179.807 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 100' ' ' SER . . . . . . . . . . . . . 49.5 m -119.19 163.07 17.62 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.453 178.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 6.9 p -79.91 -11.1 59.83 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.363 0.601 . . . . 0.0 111.448 -178.445 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 48.9 t -83.83 107.1 14.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.397 -174.191 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . 122.67 -10.08 9.13 Favored Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.716 -0.754 . . . . 0.0 113.296 173.523 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 104' ' ' VAL . . . . . 0.457 ' O ' HD12 ' B' ' 108' ' ' LEU . 26.6 t -58.31 -36.62 58.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 175.871 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -55.41 -43.92 75.71 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.14 -0.936 . . . . 0.0 110.379 177.136 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 14.6 m -69.65 -37.22 76.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.443 -0.799 . . . . 0.0 111.083 -178.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 48.8 m -62.84 -35.03 78.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.074 0.464 . . . . 0.0 110.636 179.78 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 108' ' ' LEU . . . . . 0.51 HD21 HG21 ' A' ' 39' ' ' VAL . 1.1 mt -61.55 -24.76 66.86 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.826 -0.624 . . . . 0.0 111.599 178.177 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 109' ' ' ASN . . . . . 0.461 ' N ' HD22 ' B' ' 109' ' ' ASN . 0.9 OUTLIER -66.78 -28.18 68.19 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.104 0.478 . . . . 0.0 110.461 178.661 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 110' ' ' VAL . . . . . . . . . . . . . 20.7 t -87.81 -35.21 7.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.246 -175.719 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 111' ' ' VAL . . . . . 0.506 HG12 ' O ' ' B' ' 108' ' ' LEU . 7.9 p -63.34 -29.75 48.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 121.26 0.552 . . . . 0.0 110.179 -179.109 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 112' ' ' GLN . . . . . 0.467 ' HG3' ' O ' ' B' ' 108' ' ' LEU . 25.3 mt-30 -70.45 -23.41 62.7 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 121.344 0.592 . . . . 0.0 111.001 -179.181 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 113' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -84.17 -34.12 24.07 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.45 -0.795 . . . . 0.0 110.724 -173.542 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 4.8 p -83.96 -42.45 16.25 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.416 -0.811 . . . . 0.0 112.443 -172.045 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 115' ' ' VAL . . . . . 0.506 HG12 ' O ' ' B' ' 111' ' ' VAL . 12.2 p -105.38 -20.16 6.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 121.005 0.431 . . . . 0.0 110.963 -175.403 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 116' ' ' GLY . . . . . . . . . . . . . . . -62.24 -23.61 64.45 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 121.083 -0.58 . . . . 0.0 112.598 -179.416 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -88.09 5.9 38.9 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.555 0.217 . . . . 0.0 111.467 -179.291 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 118' ' ' TYR . . . . . 0.482 ' HB3' HD23 ' B' ' 76' ' ' LEU . 73.2 m-85 -116.9 -32.61 5.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.846 0.355 . . . . 0.0 110.843 177.308 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 119' ' ' VAL . . . . . 0.419 HG21 HG21 ' A' ' 27' ' ' VAL . 27.4 m -80.2 -1.86 5.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.994 0.426 . . . . 0.0 111.18 178.679 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.184 0 CA-C-O 118.184 -1.342 . . . . 0.0 110.976 177.163 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.65 0 N-CA-C 111.759 -0.536 . . . . 0.0 111.759 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 28.6 t -138.05 -58.87 0.65 Allowed 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.789 0.328 . . . . 0.0 110.431 -179.766 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . -166.05 118.82 0.82 Allowed Glycine 0 N--CA 1.447 -0.598 0 C-N-CA 120.824 -0.703 . . . . 0.0 111.867 179.677 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' -2' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -161.11 116.89 2.17 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 179.218 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 16.1 p -107.21 74.18 0.96 Allowed 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.297 0.57 . . . . 0.0 111.651 -176.159 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 60.4 t -121.11 121.37 64.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 174.24 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 23.5 p -110.84 -179.11 3.65 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.882 -174.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.4 t 76.38 161.63 0.23 Allowed 'General case' 0 N--CA 1.466 0.329 0 O-C-N 124.136 0.897 . . . . 0.0 111.459 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 148.15 -174.58 27.8 Favored Glycine 0 N--CA 1.445 -0.716 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.678 -177.633 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 170.11 -111.48 0.42 Allowed Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.993 -0.622 . . . . 0.0 111.642 179.813 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 45.0 p90 -60.4 141.4 56.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.917 0.389 . . . . 0.0 109.984 176.575 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.429 ' H ' ' HB ' ' A' ' 10' ' ' THR . . . 158.04 -88.0 0.12 Allowed Glycine 0 N--CA 1.447 -0.584 0 N-CA-C 110.401 -1.08 . . . . 0.0 110.401 -178.747 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.415 ' HB2' ' O ' ' A' ' 18' ' ' VAL . 74.5 m-85 -83.63 -37.2 23.15 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 108.488 -0.93 . . . . 0.0 108.488 169.424 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.407 ' N ' ' HB ' ' A' ' 18' ' ' VAL . . . -103.97 78.06 0.29 Allowed Glycine 0 N--CA 1.447 -0.621 0 CA-C-N 114.895 -1.048 . . . . 0.0 111.554 177.108 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.429 ' HB ' ' H ' ' A' ' 7' ' ' GLY . 9.1 t -141.5 19.62 2.21 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.496 0.665 . . . . 0.0 109.476 178.39 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.459 ' C ' ' H ' ' A' ' 13' ' ' ALA . 19.2 m -125.25 -14.78 6.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.609 -0.723 . . . . 0.0 112.353 -168.521 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . 68.55 -33.55 0.24 Allowed 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 123.605 0.762 . . . . 0.0 112.873 -173.821 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.459 ' H ' ' C ' ' A' ' 11' ' ' SER . . . -95.57 24.3 5.36 Favored 'General case' 0 C--N 1.314 -0.947 0 CA-C-O 121.388 0.613 . . . . 0.0 110.506 178.4 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -141.57 111.93 6.95 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.315 -0.857 . . . . 0.0 109.718 179.325 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.555 ' HA3' ' H ' ' A' ' 25' ' ' GLY . . . -155.64 96.9 0.16 Allowed Glycine 0 N--CA 1.443 -0.878 0 C-N-CA 120.088 -1.053 . . . . 0.0 113.701 -176.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.471 ' H ' HG13 ' A' ' 18' ' ' VAL . . . -168.01 86.64 0.22 Allowed 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 108.639 -0.874 . . . . 0.0 108.639 173.597 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 58.14 41.64 94.8 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.653 -0.784 . . . . 0.0 111.53 -170.301 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.471 HG13 ' H ' ' A' ' 16' ' ' ALA . 1.1 m -84.3 -54.92 7.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 N-CA-C 112.057 0.391 . . . . 0.0 112.057 -174.351 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.502 ' HB3' ' HB2' ' A' ' 22' ' ' SER . . . -111.19 -179.0 3.6 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 110.127 -0.323 . . . . 0.0 110.127 -178.511 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -68.68 -44.49 73.91 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.169 -177.551 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.43 ' CA ' ' HA3' ' B' ' 21' ' ' GLY . . . -135.19 20.58 3.76 Favored Glycine 0 CA--C 1.508 -0.402 0 C-N-CA 120.655 -0.783 . . . . 0.0 111.952 179.096 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.502 ' HB2' ' HB3' ' A' ' 19' ' ' ALA . 16.3 m -130.38 124.17 31.57 Favored 'General case' 0 N--CA 1.445 -0.709 0 CA-C-O 120.953 0.406 . . . . 0.0 110.971 -178.77 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.6 ' CE1' ' HA ' ' A' ' 74' ' ' GLU . 0.1 OUTLIER -148.8 117.84 6.76 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.358 177.902 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -79.7 -23.58 42.29 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 116.134 -0.484 . . . . 0.0 112.07 -175.242 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.555 ' H ' ' HA3' ' A' ' 15' ' ' GLY . . . -64.2 -30.62 78.3 Favored Glycine 0 CA--C 1.509 -0.343 0 C-N-CA 120.895 -0.669 . . . . 0.0 111.936 -179.288 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.503 ' HB1' ' HB2' ' A' ' 78' ' ' GLN . . . -68.68 -14.55 63.09 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.097 0.475 . . . . 0.0 110.237 177.276 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.472 HG22 HD11 ' A' ' 81' ' ' LEU . 3.4 t -95.34 -44.29 13.1 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.438 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.402 -179.37 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.427 HD22 ' HA2' ' A' ' 25' ' ' GLY . 43.1 m-80 -64.22 -32.11 73.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.093 0.473 . . . . 0.0 110.174 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 78.3 ttt180 -65.5 -12.15 50.0 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.512 -178.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.752 HD11 ' HB3' ' A' ' 81' ' ' LEU . 74.5 mt -68.66 -27.83 66.33 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.021 0.439 . . . . 0.0 110.968 -179.729 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 76.0 p -81.53 12.02 4.12 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.776 -179.406 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 34.6 t -94.82 162.67 13.66 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.013 -0.54 . . . . 0.0 109.902 176.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.86 -19.75 65.99 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.96 179.803 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -55.73 -62.72 1.5 Allowed 'General case' 0 C--O 1.233 0.236 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.663 179.182 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.469 ' O ' HG23 ' A' ' 39' ' ' VAL . . . -60.42 -49.84 75.97 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.065 -179.069 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -51.61 -36.69 46.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.539 -0.3 . . . . 0.0 111.514 -177.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 47.9 m -75.39 -22.8 57.17 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.616 0.598 . . . . 0.0 112.616 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 53.2 mtm-85 -95.31 -49.5 5.44 Favored 'General case' 0 CA--C 1.512 -0.483 0 CA-C-O 121.419 0.628 . . . . 0.0 109.768 -178.41 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.528 HG21 HD21 ' B' ' 108' ' ' LEU . 60.3 t -59.12 -32.73 48.6 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.837 0 CA-C-N 114.511 -1.222 . . . . 0.0 111.394 -177.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.493 ' HB2' ' HB3' ' B' ' 101' ' ' SER . 33.4 p -72.62 -12.8 61.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.962 0.411 . . . . 0.0 111.612 -179.422 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 35.3 t -90.91 -18.55 24.57 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.719 0.771 . . . . 0.0 109.124 176.613 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.478 ' OD1' HD11 ' A' ' 61' ' ' ILE . 9.4 m120 -90.77 -27.91 18.6 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 114.878 -1.056 . . . . 0.0 110.141 -174.155 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.538 HG13 ' N ' ' A' ' 44' ' ' ALA . 5.3 pt -56.05 -41.32 68.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.377 -0.828 . . . . 0.0 111.654 -178.456 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.538 ' N ' HG13 ' A' ' 43' ' ' ILE . . . -79.84 -11.21 59.83 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.0 0.428 . . . . 0.0 110.861 -176.691 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -90.33 -51.23 5.54 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.423 -179.193 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.441 HG21 ' HB3' ' A' ' 87' ' ' LEU . 55.3 mt -67.66 -33.41 61.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.597 -178.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.696 ' HB1' HD13 ' B' ' 96' ' ' ILE . . . -62.23 -24.33 67.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.138 0.494 . . . . 0.0 110.763 177.404 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 43.6 t -92.37 -50.36 5.68 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.114 -178.466 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -83.41 -24.32 51.35 Favored Glycine 0 CA--C 1.519 0.284 0 C-N-CA 120.814 -0.708 . . . . 0.0 113.441 -174.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 73.13 -73.68 1.05 Allowed Glycine 0 C--O 1.226 -0.368 0 N-CA-C 111.632 -0.587 . . . . 0.0 111.632 -178.523 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -120.99 -25.94 5.26 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.03 0.443 . . . . 0.0 110.52 178.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 32.9 t -71.58 -14.69 62.16 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.728 -176.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -86.69 -17.7 33.08 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.636 -178.066 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.516 HD11 HG11 ' B' ' 88' ' ' VAL . 41.0 mt -55.63 -58.7 14.25 Favored Pre-proline 0 CA--C 1.534 0.348 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.977 -176.517 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.421 ' HD2' ' N ' ' A' ' 54' ' ' LEU . 20.3 Cg_endo -61.26 -20.84 69.8 Favored 'Trans proline' 0 C--N 1.356 0.927 0 C-N-CA 122.134 1.889 . . . . 0.0 112.52 -176.454 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 15.0 m -89.23 -44.54 10.2 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.046 0.451 . . . . 0.0 110.803 -179.363 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.431 HG11 ' HB3' ' A' ' 42' ' ' ASN . 70.8 t -75.65 -39.18 39.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.388 -174.011 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.539 HG12 ' HG ' ' A' ' 83' ' ' LEU . 64.5 mt -58.64 -42.36 84.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.085 176.587 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 35.0 t -65.07 -42.02 94.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.43 . . . . 0.0 109.959 178.757 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 78.6 m-20 -56.23 -51.03 69.58 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.202 179.08 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.478 HD11 ' OD1' ' A' ' 42' ' ' ASN . 36.7 mt -72.16 -45.69 61.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.067 -178.578 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.456 ' O ' HG23 ' A' ' 66' ' ' VAL . 60.3 t80 -55.91 -54.03 49.62 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-O 120.471 0.177 . . . . 0.0 110.935 -177.004 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 20.2 t -59.66 -34.12 72.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.02 0.438 . . . . 0.0 109.929 -179.706 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -67.65 -44.53 81.47 Favored Glycine 0 C--N 1.332 0.325 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.898 179.677 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.689 HG12 HG11 ' A' ' 70' ' ' VAL . 58.5 t -68.88 -41.07 81.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 120.784 0.326 . . . . 0.0 110.887 179.615 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.456 HG23 ' O ' ' A' ' 62' ' ' TYR . 91.8 t -62.72 -38.33 81.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.691 0.282 . . . . 0.0 110.762 179.286 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.35 -13.61 62.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.296 178.73 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.409 ' HB3' ' O ' ' A' ' 65' ' ' VAL . 32.8 t -76.76 -18.23 58.58 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.611 179.049 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 102.26 25.72 7.71 Favored Glycine 0 C--N 1.333 0.391 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.919 178.182 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.689 HG11 HG12 ' A' ' 65' ' ' VAL . 12.7 p -89.68 163.4 2.36 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 N-CA-C 110.225 -0.287 . . . . 0.0 110.225 -179.389 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 37.9 t -68.43 147.98 51.29 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.735 -0.468 . . . . 0.0 109.735 174.319 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 5.1 m -57.25 -49.58 75.59 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.128 0.418 . . . . 0.0 112.128 -174.531 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -74.22 -31.41 62.61 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.802 0.334 . . . . 0.0 110.487 -175.02 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.6 ' HA ' ' CE1' ' A' ' 23' ' ' TYR . 37.7 tt0 -71.55 -31.36 66.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.1 0.476 . . . . 0.0 109.72 177.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.51 ' HB2' HG13 ' A' ' 70' ' ' VAL . . . -61.67 -37.93 85.88 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.635 -0.711 . . . . 0.0 111.133 177.424 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.466 HD23 ' HB3' ' A' ' 118' ' ' TYR . 3.0 tm? -55.53 -45.26 77.19 Favored 'General case' 0 CA--C 1.52 -0.21 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 179.216 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.664 ' O ' ' HG ' ' A' ' 81' ' ' LEU . 42.1 mm -65.33 -56.21 16.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.815 -178.465 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . 0.503 ' HB2' ' HB1' ' A' ' 26' ' ' ALA . 17.8 tt0 -57.91 -46.74 84.52 Favored 'General case' 0 N--CA 1.463 0.212 0 C-N-CA 121.157 -0.217 . . . . 0.0 111.304 -179.762 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.81 -37.51 82.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.959 0.409 . . . . 0.0 110.794 -178.767 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.58 ' O ' HD23 ' A' ' 84' ' ' LEU . 6.0 mt -73.67 -41.34 62.81 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.951 178.024 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.752 ' HB3' HD11 ' A' ' 30' ' ' LEU . 93.4 mt -59.35 -42.32 91.28 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.883 0.373 . . . . 0.0 110.828 178.59 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -66.43 -35.25 79.83 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.533 175.344 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.539 ' HG ' HG12 ' A' ' 58' ' ' ILE . 3.5 tm? -66.05 -42.55 89.36 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-O 121.311 0.577 . . . . 0.0 109.684 177.526 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.58 HD23 ' O ' ' A' ' 80' ' ' LEU . 4.0 mm? -66.54 -13.27 60.74 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.251 -0.886 . . . . 0.0 111.709 -179.716 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 48.6 m -91.81 -32.13 15.48 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 120.967 0.413 . . . . 0.0 110.577 -176.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.423 ' HB2' HG13 ' A' ' 39' ' ' VAL . . . -68.56 -47.46 66.79 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.987 -177.522 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.506 HD12 ' N ' ' A' ' 88' ' ' VAL . 1.0 OUTLIER -76.28 -24.21 54.43 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 113.046 0.758 . . . . 0.0 113.046 -171.566 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.506 ' N ' HD12 ' A' ' 87' ' ' LEU . 19.5 m -85.41 -21.31 7.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 C-N-CA 120.093 -0.643 . . . . 0.0 110.428 177.043 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 70.7 t60 -71.78 -37.22 70.48 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.29 178.382 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.484 HG22 ' O ' ' A' ' 87' ' ' LEU . 16.6 m -64.41 -26.12 39.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 C-N-CA 120.699 -0.401 . . . . 0.0 111.178 -175.123 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.632 ' HA ' ' HB3' ' A' ' 94' ' ' ALA . 3.6 mm? -66.94 -22.07 65.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.037 179.223 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 26.2 t -59.76 -29.52 68.23 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-O 120.79 0.329 . . . . 0.0 110.684 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.411 ' HB3' HG12 ' B' ' 99' ' ' VAL . 8.5 t -123.2 13.28 9.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.408 0.623 . . . . 0.0 109.915 -179.683 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.632 ' HB3' ' HA ' ' A' ' 91' ' ' LEU . . . -101.93 98.0 8.28 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.618 179.573 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 33.2 t -72.63 84.57 1.16 Allowed 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.169 -0.469 . . . . 0.0 109.789 176.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.744 HD13 ' HB1' ' B' ' 47' ' ' ALA . 18.6 tt -68.0 142.79 15.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.703 178.58 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -82.5 -97.16 0.5 Allowed Glycine 0 N--CA 1.447 -0.605 0 C-N-CA 120.595 -0.812 . . . . 0.0 111.586 178.617 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 11.3 t30 -145.23 124.73 13.15 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.869 0.366 . . . . 0.0 110.299 176.63 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.588 HG12 ' HB2' ' B' ' 93' ' ' SER . 15.4 m -100.26 151.95 4.95 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.493 -179.748 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 48.7 m -117.16 150.22 39.07 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.459 -178.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . 0.433 ' HB3' ' HB2' ' B' ' 40' ' ' SER . 47.2 m -80.46 44.38 0.7 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.451 -177.399 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 7.7 p -136.22 130.81 48.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-O 121.081 0.467 . . . . 0.0 110.423 -178.024 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 101.11 -12.3 58.8 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.829 -0.7 . . . . 0.0 112.504 178.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 21.2 t -57.23 -33.51 43.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.716 0.293 . . . . 0.0 110.318 178.209 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -50.8 -42.37 58.03 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.595 177.696 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 15.5 m -77.12 -39.11 50.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.35 -178.214 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 31.8 m -59.75 -35.42 74.56 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-O 121.148 0.499 . . . . 0.0 110.57 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.568 HD21 HG21 ' B' ' 39' ' ' VAL . 2.9 mt -61.47 -26.1 67.68 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.517 -0.765 . . . . 0.0 111.754 179.268 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . 0.507 HD22 ' N ' ' A' ' 109' ' ' ASN . 0.8 OUTLIER -72.95 -23.7 60.71 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.073 0.464 . . . . 0.0 110.325 179.855 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 33.5 t -85.07 -39.47 14.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.934 -176.741 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.501 HG12 ' O ' ' A' ' 108' ' ' LEU . 11.3 p -60.58 -29.43 44.7 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.332 0 CA-C-O 121.301 0.572 . . . . 0.0 110.535 -178.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . 0.514 ' HG3' ' O ' ' A' ' 108' ' ' LEU . 25.4 mt-30 -67.39 -21.52 65.6 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.29 -178.499 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -85.62 -26.33 26.12 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.317 0.58 . . . . 0.0 110.809 -173.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 6.7 m -83.82 -44.85 13.92 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.709 -173.604 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.61 HG11 HD22 ' B' ' 81' ' ' LEU . 9.6 p -107.98 -21.41 5.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-O 121.045 0.45 . . . . 0.0 111.376 -173.106 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -57.82 -28.88 60.98 Favored Glycine 0 C--O 1.229 -0.205 0 CA-C-N 115.919 -0.582 . . . . 0.0 113.192 -176.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . 0.42 HE21 ' HB2' ' A' ' 117' ' ' GLN . 0.0 OUTLIER -78.47 -14.81 59.19 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-O 120.606 0.241 . . . . 0.0 111.532 -178.637 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . 0.466 ' HB3' HD23 ' A' ' 76' ' ' LEU . 82.7 m-85 -97.08 -35.43 10.81 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-O 121.037 0.446 . . . . 0.0 110.376 -179.39 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 33.5 m -86.85 -8.38 11.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.963 178.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 C-N-CA 120.678 -0.772 . . . . 0.0 113.02 -179.838 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.489 0 N-CA-C 112.32 -0.312 . . . . 0.0 112.32 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' -4' ' ' SER . . . . . . . . . . . . . 13.4 t -156.38 16.46 0.33 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.947 0.403 . . . . 0.0 110.431 179.331 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' -3' ' ' GLY . . . . . . . . . . . . . . . 86.76 7.5 78.22 Favored Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.795 -0.717 . . . . 0.0 111.841 -178.34 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' -2' ' ' ASN . . . . . . . . . . . . . 4.8 p-10 -84.94 76.11 10.3 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.642 0.734 . . . . 0.0 111.055 -177.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' -1' ' ' SER . . . . . . . . . . . . . 16.7 p -119.7 93.6 4.12 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.088 176.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 69.4 t -124.62 131.03 73.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.263 -177.605 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 18.5 p -83.2 64.66 7.83 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.282 0.563 . . . . 0.0 110.977 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 23.3 t -152.61 -170.48 3.65 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.747 -0.66 . . . . 0.0 109.724 -178.07 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . 84.64 -113.49 3.78 Favored Glycine 0 N--CA 1.443 -0.881 0 C-N-CA 120.924 -0.655 . . . . 0.0 112.056 178.667 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 5' ' ' GLY . . . . . 0.508 ' HA2' ' HB1' ' B' ' 19' ' ' ALA . . . 75.87 -75.2 1.51 Allowed Glycine 0 N--CA 1.448 -0.504 0 C-N-CA 120.805 -0.712 . . . . 0.0 111.437 -177.006 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 6' ' ' TYR . . . . . 0.426 ' HA ' ' HB ' ' B' ' 10' ' ' THR . 19.5 p90 -71.62 -176.11 1.51 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.818 0.342 . . . . 0.0 110.215 176.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . 79.14 -71.54 2.61 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.632 -0.794 . . . . 0.0 112.069 -178.653 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 53.8 m-85 -87.15 -33.7 19.32 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.89 0.376 . . . . 0.0 110.479 178.325 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -121.99 45.0 1.26 Allowed Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 120.936 -0.649 . . . . 0.0 112.521 -179.275 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . 0.426 ' HB ' ' HA ' ' B' ' 6' ' ' TYR . 14.9 t -110.93 -4.96 14.96 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.096 0.474 . . . . 0.0 110.23 177.717 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 4.7 m -77.74 -29.89 51.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.762 -0.654 . . . . 0.0 112.095 -171.503 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . 65.86 7.46 4.62 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 122.994 0.517 . . . . 0.0 111.597 -176.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -122.12 -25.77 4.84 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.468 179.171 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -91.75 151.49 20.6 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 177.484 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . -163.29 95.76 0.13 Allowed Glycine 0 N--CA 1.444 -0.817 0 C-N-CA 120.0 -1.095 . . . . 0.0 113.451 -175.795 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . 177.51 92.2 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 108.981 -0.748 . . . . 0.0 108.981 173.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 56.67 44.63 91.23 Favored Glycine 0 CA--C 1.521 0.441 0 C-N-CA 120.563 -0.827 . . . . 0.0 111.811 -172.644 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . 0.477 ' CG2' ' HA ' ' B' ' 23' ' ' TYR . 0.8 OUTLIER -80.01 -58.82 3.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 N-CA-C 112.199 0.444 . . . . 0.0 112.199 -174.369 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 19' ' ' ALA . . . . . 0.508 ' HB1' ' HA2' ' B' ' 5' ' ' GLY . . . -105.22 176.18 5.25 Favored 'General case' 0 C--N 1.316 -0.862 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 -178.234 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -65.6 -46.54 78.98 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 120.889 0.375 . . . . 0.0 110.513 -179.594 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . 0.43 ' HA3' ' CA ' ' A' ' 21' ' ' GLY . . . -133.82 35.91 2.19 Favored Glycine 0 N--CA 1.446 -0.634 0 N-CA-C 111.557 -0.617 . . . . 0.0 111.557 -178.817 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 22' ' ' SER . . . . . 0.48 ' HB2' ' HB3' ' B' ' 19' ' ' ALA . 8.8 m -151.94 131.13 12.74 Favored 'General case' 0 N--CA 1.443 -0.802 0 CA-C-N 115.484 -0.358 . . . . 0.0 110.243 179.159 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 23' ' ' TYR . . . . . 0.477 ' HA ' ' CG2' ' B' ' 18' ' ' VAL . 0.4 OUTLIER -148.29 126.18 11.96 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.332 -178.891 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -82.12 -15.16 54.34 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.446 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.14 -30.49 77.92 Favored Glycine 0 CA--C 1.509 -0.296 0 C-N-CA 120.996 -0.621 . . . . 0.0 111.851 179.121 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 26' ' ' ALA . . . . . 0.515 ' HB1' ' HB2' ' B' ' 78' ' ' GLN . . . -78.16 -0.24 27.57 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.072 0.463 . . . . 0.0 110.913 178.642 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . 0.512 HG22 ' CD1' ' B' ' 81' ' ' LEU . 2.6 t -110.45 -49.27 6.68 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.441 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.021 -177.659 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 28' ' ' ASN . . . . . 0.408 ' HA ' ' NE2' ' A' ' 112' ' ' GLN . 10.4 p30 -74.15 0.79 12.84 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 120.382 -0.527 . . . . 0.0 111.079 -177.32 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 80.4 ttt180 -93.69 -5.01 49.5 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.35 0.595 . . . . 0.0 109.962 175.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . 0.545 HD11 ' HB3' ' B' ' 81' ' ' LEU . 84.9 mt -74.42 -22.59 59.07 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.962 -177.817 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 59.8 p -81.23 6.8 12.97 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.422 179.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 41.5 t -89.04 156.35 18.9 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.572 -0.74 . . . . 0.0 109.756 177.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.55 -21.98 63.15 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.791 0.329 . . . . 0.0 111.116 -179.809 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -52.53 -63.33 1.18 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.958 178.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 35' ' ' ALA . . . . . 0.412 ' O ' HG23 ' B' ' 39' ' ' VAL . . . -61.44 -46.12 91.42 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.104 -178.482 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -58.66 -24.28 60.89 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.676 0.274 . . . . 0.0 111.737 -177.047 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 28.6 t -88.31 -16.72 32.35 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.739 179.663 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 58.4 mtm-85 -101.61 -49.96 3.86 Favored 'General case' 0 CA--C 1.513 -0.447 0 CA-C-O 121.49 0.662 . . . . 0.0 109.729 -179.19 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . 0.568 HG21 HD21 ' A' ' 108' ' ' LEU . 67.6 t -58.31 -31.66 43.07 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.756 0 CA-C-N 114.604 -1.18 . . . . 0.0 111.472 -178.254 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 40' ' ' SER . . . . . 0.433 ' HB2' ' HB3' ' A' ' 101' ' ' SER . 63.8 p -78.05 -7.05 56.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.898 0.38 . . . . 0.0 111.276 -177.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 40.8 t -94.19 -21.5 19.03 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.756 0.788 . . . . 0.0 109.068 174.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 42' ' ' ASN . . . . . 0.458 ' OD1' HD11 ' B' ' 61' ' ' ILE . 10.2 m120 -86.34 -28.3 23.75 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 114.81 -1.086 . . . . 0.0 109.81 -173.113 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 43' ' ' ILE . . . . . 0.531 HG13 ' N ' ' B' ' 44' ' ' ALA . 5.4 pt -55.11 -42.36 64.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 114.976 -1.011 . . . . 0.0 111.966 -176.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . 0.531 ' N ' HG13 ' B' ' 43' ' ' ILE . . . -80.18 -12.46 59.64 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.174 0.511 . . . . 0.0 111.014 -175.11 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -90.31 -50.44 5.97 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.041 -179.332 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 54.2 mt -65.42 -33.71 65.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.433 -179.776 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . 0.744 ' HB1' HD13 ' A' ' 96' ' ' ILE . . . -65.05 -17.03 64.1 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.612 179.457 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 24.7 t -99.37 -39.03 8.59 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.782 0.325 . . . . 0.0 111.05 -177.716 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -99.53 -22.03 13.46 Favored Glycine 0 CA--C 1.518 0.25 0 C-N-CA 120.445 -0.884 . . . . 0.0 113.539 -175.096 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 76.2 -81.73 1.05 Allowed Glycine 0 N--CA 1.448 -0.562 0 N-CA-C 111.132 -0.787 . . . . 0.0 111.132 -178.237 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -115.17 -20.27 10.48 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-O 121.325 0.584 . . . . 0.0 109.84 177.055 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 8.4 t -74.72 -6.92 51.49 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.401 -0.818 . . . . 0.0 110.415 -176.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -101.03 -11.39 19.7 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.904 179.759 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 54' ' ' LEU . . . . . 0.437 HD11 HG11 ' A' ' 88' ' ' VAL . 59.1 mt -56.99 -56.16 36.3 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.894 -177.082 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 55' ' ' PRO . . . . . 0.436 ' HD2' ' N ' ' B' ' 54' ' ' LEU . 19.7 Cg_endo -62.02 -25.94 78.08 Favored 'Trans proline' 0 C--N 1.349 0.588 0 C-N-CA 121.85 1.7 . . . . 0.0 112.558 -178.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 15.3 m -78.05 -36.66 48.17 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.326 0.584 . . . . 0.0 110.601 178.635 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . 0.416 HG11 ' HB3' ' B' ' 42' ' ' ASN . 57.0 t -90.56 -44.78 14.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.567 -171.356 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 58' ' ' ILE . . . . . 0.507 HG12 ' HG ' ' B' ' 83' ' ' LEU . 51.6 mt -56.41 -43.19 76.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 121.01 0.433 . . . . 0.0 110.982 -179.682 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 74.3 m -68.97 -28.41 66.59 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.89 -177.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 80.1 m-20 -68.36 -45.02 73.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.986 0.422 . . . . 0.0 110.543 175.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . 0.458 HD11 ' OD1' ' B' ' 42' ' ' ASN . 40.1 mt -71.18 -45.74 69.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.036 179.366 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 62' ' ' TYR . . . . . 0.433 ' O ' HG23 ' B' ' 66' ' ' VAL . 52.3 t80 -56.78 -50.61 71.78 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.866 -177.077 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 63.1 m -60.56 -30.71 69.95 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.931 0.396 . . . . 0.0 110.683 178.65 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -70.93 -43.74 57.31 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.797 -0.716 . . . . 0.0 111.852 179.47 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 65' ' ' VAL . . . . . 0.669 HG12 HG11 ' B' ' 70' ' ' VAL . 79.3 t -68.43 -45.85 81.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-O 120.783 0.325 . . . . 0.0 111.185 -179.414 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 66' ' ' VAL . . . . . 0.433 HG23 ' O ' ' B' ' 62' ' ' TYR . 88.5 t -60.85 -37.07 75.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.251 -178.889 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.33 -15.25 62.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.779 179.724 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 39.3 t -74.47 -18.64 60.6 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.93 0.395 . . . . 0.0 110.656 179.041 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 95.97 35.04 5.7 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.609 -0.805 . . . . 0.0 112.23 -178.805 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.669 HG11 HG12 ' B' ' 65' ' ' VAL . 14.5 p -97.36 161.51 2.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 110.076 -0.342 . . . . 0.0 110.076 179.661 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 71' ' ' SER . . . . . 0.401 ' N ' HG22 ' B' ' 70' ' ' VAL . 34.3 t -61.96 144.82 54.5 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 110.074 -0.343 . . . . 0.0 110.074 175.213 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 5.3 p -60.55 -47.08 87.76 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 111.924 0.342 . . . . 0.0 111.924 -175.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -70.91 -30.83 67.28 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.891 0.376 . . . . 0.0 110.124 -178.27 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -76.64 -32.6 58.1 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.129 0.49 . . . . 0.0 110.008 179.735 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . 0.583 ' HB2' HG13 ' B' ' 70' ' ' VAL . . . -61.55 -39.46 91.16 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.67 -0.695 . . . . 0.0 111.304 177.862 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 76' ' ' LEU . . . . . 0.405 ' O ' ' HB2' ' B' ' 80' ' ' LEU . 2.7 tm? -53.99 -39.97 66.53 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.227 178.649 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 77' ' ' ILE . . . . . 0.627 ' O ' ' HG ' ' B' ' 81' ' ' LEU . 43.0 mm -69.63 -55.52 14.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.223 -178.568 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 78' ' ' GLN . . . . . 0.515 ' HB2' ' HB1' ' B' ' 26' ' ' ALA . 30.9 tt0 -57.86 -47.03 83.92 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 120.616 0.246 . . . . 0.0 111.162 179.373 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.5 -35.67 76.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.796 -178.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 80' ' ' LEU . . . . . 0.561 ' O ' HD23 ' B' ' 84' ' ' LEU . 4.0 mt -75.93 -42.23 49.41 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.218 178.666 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . 0.627 ' HG ' ' O ' ' B' ' 77' ' ' ILE . 20.4 mt -65.19 -36.88 85.58 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 120.748 0.309 . . . . 0.0 110.915 -177.862 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 -63.47 -35.94 82.09 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.195 171.72 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 83' ' ' LEU . . . . . 0.507 ' HG ' HG12 ' B' ' 58' ' ' ILE . 3.4 tm? -67.27 -41.85 84.84 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-O 121.172 0.511 . . . . 0.0 109.688 177.686 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 84' ' ' LEU . . . . . 0.561 HD23 ' O ' ' B' ' 80' ' ' LEU . 4.2 mm? -66.54 -12.67 58.81 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.438 -0.801 . . . . 0.0 111.736 -179.741 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 85' ' ' SER . . . . . 0.448 ' OG ' HG11 ' A' ' 111' ' ' VAL . 47.7 m -91.71 -31.99 15.6 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 120.978 0.418 . . . . 0.0 110.408 -177.181 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 86' ' ' ALA . . . . . 0.426 ' HB2' HG13 ' B' ' 39' ' ' VAL . . . -69.11 -46.03 68.72 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.9 -176.593 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 87' ' ' LEU . . . . . 0.464 HD22 HD13 ' A' ' 87' ' ' LEU . 1.4 pp -77.34 -18.04 57.76 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.494 -0.776 . . . . 0.0 113.087 -171.692 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 88' ' ' VAL . . . . . 0.516 HG11 HD11 ' A' ' 54' ' ' LEU . 15.6 m -90.6 -21.84 6.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 C-N-CA 120.097 -0.641 . . . . 0.0 110.677 176.584 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 89' ' ' HIS . . . . . . . . . . . . . 74.7 t60 -71.4 -35.11 70.9 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.051 178.019 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 90' ' ' VAL . . . . . 0.54 ' HA ' HG11 ' A' ' 99' ' ' VAL . 22.2 m -65.18 -28.53 44.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.751 -176.437 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 91' ' ' LEU . . . . . 0.633 ' HA ' ' HB3' ' B' ' 94' ' ' ALA . 3.1 mm? -62.82 -23.35 67.23 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.924 -179.756 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 22.7 t -67.19 -20.37 65.7 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.065 -179.725 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . 0.588 ' HB2' HG12 ' A' ' 99' ' ' VAL . 17.9 m -124.27 12.43 8.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.357 0.599 . . . . 0.0 110.169 177.238 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 94' ' ' ALA . . . . . 0.633 ' HB3' ' HA ' ' B' ' 91' ' ' LEU . . . -111.0 101.13 9.71 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.048 -178.353 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 22.7 t -78.0 89.54 4.16 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 176.695 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 96' ' ' ILE . . . . . 0.696 HD13 ' HB1' ' A' ' 47' ' ' ALA . 20.1 tt -67.47 144.07 14.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.268 -179.222 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 97' ' ' GLY . . . . . . . . . . . . . . . -95.73 -116.93 3.15 Favored Glycine 0 N--CA 1.445 -0.722 0 C-N-CA 120.864 -0.684 . . . . 0.0 112.408 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 98' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -112.42 103.65 11.76 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.064 0.459 . . . . 0.0 110.591 -176.526 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 99' ' ' VAL . . . . . 0.531 ' CG1' HD11 ' B' ' 96' ' ' ILE . 14.4 m -89.29 163.82 2.31 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.35 175.651 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 100' ' ' SER . . . . . . . . . . . . . 66.5 m -142.67 157.65 44.46 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.211 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 101' ' ' SER . . . . . 0.493 ' HB3' ' HB2' ' A' ' 40' ' ' SER . 51.0 m -74.72 -14.42 60.72 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.332 0.587 . . . . 0.0 111.191 -177.536 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 44.4 t -77.88 101.2 3.48 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.944 -176.047 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . 129.35 -10.26 6.17 Favored Glycine 0 N--CA 1.448 -0.503 0 CA-C-N 115.758 -0.656 . . . . 0.0 112.952 176.779 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 104' ' ' VAL . . . . . . . . . . . . . 29.6 t -59.61 -35.36 58.99 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.272 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 175.146 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -49.47 -41.41 40.3 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.044 -0.98 . . . . 0.0 110.811 175.364 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 20.5 m -81.67 -35.11 30.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.579 -176.646 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 23.9 m -63.2 -38.13 89.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.143 0.497 . . . . 0.0 111.072 -179.677 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 108' ' ' LEU . . . . . 0.605 ' O ' HG12 ' B' ' 111' ' ' VAL . 4.5 mt -57.81 -33.87 69.04 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.442 -0.799 . . . . 0.0 111.964 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 109' ' ' ASN . . . . . . . . . . . . . 19.0 m-80 -69.39 -20.35 63.81 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.817 0.341 . . . . 0.0 111.406 -179.385 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 110' ' ' VAL . . . . . . . . . . . . . 40.1 t -87.88 -38.8 12.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.024 -178.153 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 111' ' ' VAL . . . . . 0.605 HG12 ' O ' ' B' ' 108' ' ' LEU . 7.7 p -61.39 -27.53 42.11 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.274 0 CA-C-O 121.519 0.676 . . . . 0.0 110.303 -179.059 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 112' ' ' GLN . . . . . 0.512 ' HG3' ' O ' ' B' ' 108' ' ' LEU . 24.7 mt-30 -67.15 -22.35 65.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.295 -0.866 . . . . 0.0 111.242 -179.463 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 113' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -79.88 -38.8 31.85 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.599 -175.583 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 4.2 m -77.89 -41.52 36.38 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.311 -0.858 . . . . 0.0 112.151 -169.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 115' ' ' VAL . . . . . . . . . . . . . 8.7 p -108.36 -19.67 6.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-O 120.851 0.358 . . . . 0.0 111.364 -173.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 116' ' ' GLY . . . . . . . . . . . . . . . -57.53 -26.38 56.87 Favored Glycine 0 C--O 1.227 -0.314 0 CA-C-N 116.095 -0.502 . . . . 0.0 113.149 -178.359 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -87.28 6.53 32.89 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 111.899 0.333 . . . . 0.0 111.899 -178.086 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 118' ' ' TYR . . . . . . . . . . . . . 66.4 m-85 -119.86 -27.63 5.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.172 0.51 . . . . 0.0 110.428 176.781 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 119' ' ' VAL . . . . . 0.435 HG21 HG21 ' A' ' 27' ' ' VAL . 31.0 m -91.26 1.99 8.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.286 177.742 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.112 -1.382 . . . . 0.0 111.805 179.277 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.917 0 N-CA-C 112.447 -0.261 . . . . 0.0 112.447 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 26.8 t -104.34 103.95 13.76 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 178.497 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . 173.74 -150.73 12.2 Favored Glycine 0 N--CA 1.444 -0.768 0 C-N-CA 120.343 -0.932 . . . . 0.0 112.672 -179.638 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' -2' ' ' ASN . . . . . . . . . . . . . 45.7 t-20 -118.16 116.33 26.6 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 110.032 -0.359 . . . . 0.0 110.032 -173.095 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . 0.675 ' HB2' ' O ' ' B' ' -3' ' ' GLY . 15.1 m -113.79 -71.98 0.72 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.563 -0.29 . . . . 0.0 110.693 -179.649 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . 0.511 HG22 ' O ' ' B' ' -3' ' ' GLY . 15.3 m -120.46 175.16 4.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 N-CA-C 110.307 -0.257 . . . . 0.0 110.307 178.513 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.523 ' HA ' HG22 ' B' ' 2' ' ' THR . 14.7 t -117.16 156.26 27.96 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.423 178.106 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.5 m -82.27 148.24 28.47 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.736 -176.617 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -172.15 -146.21 5.24 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.193 178.157 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 86.16 -102.21 2.67 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.994 -0.622 . . . . 0.0 112.886 177.483 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 20.7 p90 -59.49 -29.9 68.17 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 111.9 0.333 . . . . 0.0 111.9 -173.242 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -67.69 -24.16 74.03 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.892 -0.67 . . . . 0.0 112.514 -175.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 68.6 m-85 -132.73 61.79 1.67 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.21 0.529 . . . . 0.0 110.128 177.704 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 130.29 47.34 0.14 Allowed Glycine 0 N--CA 1.447 -0.588 0 C-N-CA 120.448 -0.882 . . . . 0.0 113.148 175.386 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 8.9 t -82.07 -7.11 59.6 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.221 0.534 . . . . 0.0 109.651 175.02 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 63.7 m -156.52 175.16 14.39 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.49 -0.777 . . . . 0.0 109.291 178.435 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -69.7 167.17 17.62 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 110.002 -0.37 . . . . 0.0 110.002 175.198 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -73.27 75.1 1.33 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.295 0.569 . . . . 0.0 112.053 -177.142 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -89.92 -35.45 15.59 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.068 -0.716 . . . . 0.0 109.068 171.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.601 ' HA3' ' N ' ' A' ' 25' ' ' GLY . . . 133.67 -173.06 21.37 Favored Glycine 0 N--CA 1.441 -1.006 0 CA-C-N 115.344 -0.843 . . . . 0.0 112.494 176.703 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.414 ' HA ' ' OE2' ' A' ' 74' ' ' GLU . . . 63.84 82.89 0.17 Allowed 'General case' 0 C--N 1.331 -0.207 0 O-C-N 124.274 0.632 . . . . 0.0 111.603 177.555 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 64.03 49.88 64.28 Favored Glycine 0 CA--C 1.519 0.291 0 CA-C-N 115.423 -0.808 . . . . 0.0 113.107 179.392 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.451 ' CG2' ' HA ' ' A' ' 23' ' ' TYR . 2.3 m -93.5 -25.41 4.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 N-CA-C 112.103 0.409 . . . . 0.0 112.103 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -149.02 -179.92 7.39 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.488 -177.501 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.474 ' HB1' ' HB1' ' B' ' 20' ' ' ALA . . . -70.38 -46.61 63.7 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.37 -177.711 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -138.26 37.46 1.8 Allowed Glycine 0 N--CA 1.448 -0.528 0 N-CA-C 111.32 -0.712 . . . . 0.0 111.32 -178.785 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 19.2 m -152.42 126.31 9.02 Favored 'General case' 0 N--CA 1.442 -0.841 0 CA-C-N 115.348 -0.426 . . . . 0.0 110.418 179.571 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.521 ' CE1' ' HA ' ' A' ' 74' ' ' GLU . 0.1 OUTLIER -148.4 117.88 6.97 Favored 'General case' 0 N--CA 1.446 -0.629 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 -179.937 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -80.44 -23.69 40.12 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.798 -176.326 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.601 ' N ' ' HA3' ' A' ' 15' ' ' GLY . . . -65.31 -29.73 75.98 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.805 -0.712 . . . . 0.0 111.623 -178.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.501 ' HB1' ' HB2' ' A' ' 78' ' ' GLN . . . -70.0 -9.63 55.89 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.227 0.537 . . . . 0.0 110.219 176.85 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.503 HG22 ' CD1' ' A' ' 81' ' ' LEU . 2.9 t -102.81 -46.93 10.94 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.464 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.461 179.547 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 46.8 m-80 -61.62 -30.39 70.67 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-O 121.287 0.565 . . . . 0.0 110.282 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 78.8 ttt180 -67.74 -14.13 62.69 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.247 -0.888 . . . . 0.0 111.371 -179.499 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.51 ' HB3' HD12 ' B' ' 108' ' ' LEU . 96.0 mt -66.65 -25.65 66.67 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.514 -177.627 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 31.8 p -80.99 10.91 4.46 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.281 0.562 . . . . 0.0 111.09 -179.713 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 28.2 t -93.69 159.62 15.13 Favored 'General case' 0 N--CA 1.449 -0.51 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 175.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.97 -21.28 63.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.236 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -52.21 -59.83 3.93 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.163 178.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.606 ' O ' HG23 ' A' ' 39' ' ' VAL . . . -61.24 -57.99 10.13 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.246 -179.43 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.88 -31.18 16.64 Favored 'General case' 0 N--CA 1.464 0.259 0 O-C-N 123.247 0.342 . . . . 0.0 111.815 -176.556 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 28.5 t -74.8 -26.77 59.96 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.698 -179.133 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.535 ' HD2' ' OE1' ' A' ' 82' ' ' GLU . 60.1 mtt180 -95.41 -46.04 6.87 Favored 'General case' 0 CA--C 1.516 -0.34 0 CA-C-O 121.944 0.878 . . . . 0.0 109.595 -177.668 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.606 HG23 ' O ' ' A' ' 35' ' ' ALA . 45.7 t -58.64 -40.72 80.09 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.773 0 CA-C-N 114.118 -1.401 . . . . 0.0 111.308 -176.715 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.469 ' HB2' ' HB3' ' B' ' 101' ' ' SER . 81.0 p -74.25 -12.36 60.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.062 0.458 . . . . 0.0 111.244 -178.082 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 40.1 t -89.03 -9.65 50.5 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.471 179.747 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 40.2 m-80 -120.91 -3.6 9.66 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.543 -174.712 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.519 HG13 ' N ' ' A' ' 44' ' ' ALA . 5.6 pt -58.56 -41.3 81.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.916 177.238 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.519 ' N ' HG13 ' A' ' 43' ' ' ILE . . . -77.45 -13.01 60.02 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.081 0.467 . . . . 0.0 110.79 -176.703 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -79.94 -52.96 7.2 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.97 179.335 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.447 HG21 ' HB3' ' A' ' 87' ' ' LEU . 27.9 mt -66.32 -33.84 66.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.492 -179.48 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.661 ' HB1' HD13 ' B' ' 96' ' ' ILE . . . -61.57 -22.28 65.05 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.388 178.399 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 34.0 m -101.77 -41.37 6.55 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.606 -175.101 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -93.76 -24.32 20.89 Favored Glycine 0 CA--C 1.517 0.204 0 C-N-CA 120.532 -0.842 . . . . 0.0 113.192 -176.64 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 73.73 -76.61 0.99 Allowed Glycine 0 N--CA 1.451 -0.333 0 N-CA-C 111.728 -0.549 . . . . 0.0 111.728 -178.537 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -114.95 -27.34 7.41 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 121.082 0.468 . . . . 0.0 110.103 179.815 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 13.3 m -71.36 -9.97 59.0 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.516 -179.112 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -88.58 -20.06 25.51 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.583 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.415 ' HB2' ' HD3' ' A' ' 55' ' ' PRO . 50.8 mt -54.02 -56.5 25.19 Favored Pre-proline 0 CA--C 1.537 0.469 0 CA-C-N 116.175 -0.466 . . . . 0.0 112.136 -177.322 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.415 ' HD3' ' HB2' ' A' ' 54' ' ' LEU . 27.8 Cg_endo -65.78 -11.6 31.5 Favored 'Trans proline' 0 C--N 1.354 0.84 0 C-N-CA 122.13 1.887 . . . . 0.0 112.829 -179.199 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 29.8 m -92.55 -45.27 8.19 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.081 0.467 . . . . 0.0 110.223 176.746 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 89.0 t -77.24 -40.36 29.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.614 -172.036 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.51 HG12 HD22 ' A' ' 83' ' ' LEU . 58.3 mt -59.41 -46.17 92.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.119 176.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 58.1 m -68.5 -28.66 67.21 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.917 -178.309 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -65.29 -56.58 11.92 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.163 0.506 . . . . 0.0 110.504 175.163 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 55.3 mt -70.03 -43.14 79.46 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 115.517 -0.765 . . . . 0.0 111.496 -174.678 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 50.3 t80 -54.56 -48.05 72.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.251 -177.617 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 13.3 t -64.95 -25.5 67.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.112 0.482 . . . . 0.0 110.591 -179.419 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -76.57 -38.65 32.01 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.722 -0.751 . . . . 0.0 111.349 178.004 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.648 HG12 HG11 ' A' ' 70' ' ' VAL . 92.5 t -71.43 -45.77 67.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 120.848 0.356 . . . . 0.0 111.077 179.446 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 71.1 t -59.99 -34.53 56.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-O 121.034 0.445 . . . . 0.0 111.099 -179.463 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.37 -15.26 47.55 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.967 178.352 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 43.0 t -78.61 -16.22 57.62 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.592 0.234 . . . . 0.0 111.411 -178.638 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 91.08 32.24 9.1 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.567 -0.825 . . . . 0.0 111.948 -177.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.648 HG11 HG12 ' A' ' 65' ' ' VAL . 12.2 p -90.94 161.42 2.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 115.605 -0.297 . . . . 0.0 110.251 -178.505 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 46.7 t -61.41 147.17 45.89 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 110.148 -0.316 . . . . 0.0 110.148 175.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 9.5 m -56.41 -51.51 68.1 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-O 121.016 0.436 . . . . 0.0 111.458 -176.648 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -74.69 -27.23 60.31 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.184 -175.686 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.521 ' HA ' ' CE1' ' A' ' 23' ' ' TYR . 36.1 tt0 -74.98 -33.85 61.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.008 0.432 . . . . 0.0 110.495 179.38 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.54 ' HB2' HG13 ' A' ' 70' ' ' VAL . . . -59.18 -37.53 77.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.84 177.162 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.536 HD23 ' HB3' ' A' ' 118' ' ' TYR . 2.9 tm? -56.53 -43.68 80.07 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.234 179.045 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.593 ' O ' ' HG ' ' A' ' 81' ' ' LEU . 43.8 mm -66.43 -56.87 12.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.054 -177.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . 0.501 ' HB2' ' HB1' ' A' ' 26' ' ' ALA . 23.1 tt0 -57.08 -47.79 80.18 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.643 0.259 . . . . 0.0 111.104 -179.635 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.37 -35.93 78.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.953 -178.628 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.447 HD23 ' HA ' ' A' ' 80' ' ' LEU . 4.2 mt -71.91 -45.23 61.95 Favored 'General case' 0 N--CA 1.449 -0.525 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.878 178.79 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.672 HD22 HG11 ' B' ' 115' ' ' VAL . 20.2 mt -63.38 -35.98 82.21 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 120.925 0.393 . . . . 0.0 110.572 -177.804 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.535 ' OE1' ' HD2' ' A' ' 38' ' ' ARG . 53.1 mt-10 -65.11 -31.24 72.34 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.603 172.564 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.51 HD22 HG12 ' A' ' 58' ' ' ILE . 21.0 tp -70.87 -47.57 58.55 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-O 120.703 0.287 . . . . 0.0 110.837 175.123 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.456 ' O ' HG22 ' A' ' 88' ' ' VAL . 6.3 mp -59.58 -14.98 15.43 Favored 'General case' 0 C--O 1.223 -0.321 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.384 -178.838 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 39.8 m -88.27 -33.95 17.87 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.769 0.318 . . . . 0.0 111.067 -178.715 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.42 ' HB2' HG13 ' A' ' 39' ' ' VAL . . . -69.95 -41.39 74.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.384 0.612 . . . . 0.0 110.662 -175.782 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.548 HD12 ' N ' ' A' ' 88' ' ' VAL . 1.8 pp -79.13 -25.62 42.9 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.424 -0.807 . . . . 0.0 112.729 -172.495 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.548 ' N ' HD12 ' A' ' 87' ' ' LEU . 17.2 m -86.6 -22.72 7.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 C-N-CA 120.057 -0.657 . . . . 0.0 110.704 177.641 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 72.9 t60 -66.56 -38.95 88.19 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.241 178.159 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.454 HG22 ' O ' ' A' ' 87' ' ' LEU . 22.3 m -67.41 -26.75 36.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.781 -174.267 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.671 ' HA ' ' HB3' ' A' ' 94' ' ' ALA . 3.4 mm? -61.78 -23.23 66.06 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.555 0.217 . . . . 0.0 111.185 -179.702 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 19.2 t -60.33 -31.93 70.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.768 -179.293 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 13.7 t -116.77 3.38 12.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.614 0.721 . . . . 0.0 109.795 -178.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.671 ' HB3' ' HA ' ' A' ' 91' ' ' LEU . . . -94.53 102.55 14.49 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.629 -179.822 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 12.3 t -73.67 89.33 1.75 Allowed 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.716 178.145 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.826 HD13 ' HB1' ' B' ' 47' ' ' ALA . 16.3 tt -73.96 148.82 8.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.603 -178.657 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -89.06 -131.51 4.13 Favored Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 120.984 -0.627 . . . . 0.0 111.803 176.273 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 11.0 t30 -116.03 95.38 5.07 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.456 0.646 . . . . 0.0 110.299 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.604 HG12 ' HB3' ' B' ' 93' ' ' SER . 21.4 m -73.58 131.85 34.29 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.528 179.762 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 43.4 m -105.02 152.23 22.98 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.33 -177.246 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . 0.419 ' HB3' ' HB2' ' B' ' 40' ' ' SER . 19.4 m -78.7 27.92 0.21 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.159 -0.473 . . . . 0.0 112.118 -175.809 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 63.4 t -122.47 120.11 60.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 120.802 0.334 . . . . 0.0 110.428 -177.068 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 113.15 -9.6 24.84 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.882 -0.675 . . . . 0.0 112.604 177.73 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.418 HG22 ' CD2' ' B' ' 89' ' ' HIS . 21.4 t -59.83 -30.47 45.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 C-N-CA 122.214 0.206 . . . . 0.0 111.146 -178.477 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -51.05 -38.85 53.98 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-O 121.263 0.554 . . . . 0.0 111.241 -179.567 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 23.2 t -71.55 -29.36 64.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.078 -178.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 19.2 m -71.88 -35.71 69.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.611 -176.668 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.581 ' O ' HG12 ' A' ' 111' ' ' VAL . 4.5 mm? -57.86 -36.1 71.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.738 177.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 18.0 m-80 -70.36 -16.6 62.99 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.644 -177.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 40.1 t -92.37 -39.55 11.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 120.704 0.288 . . . . 0.0 110.969 -178.252 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.581 HG12 ' O ' ' A' ' 108' ' ' LEU . 7.8 p -60.44 -28.49 42.38 Favored 'Isoleucine or valine' 0 C--O 1.236 0.351 0 CA-C-O 121.415 0.626 . . . . 0.0 110.611 -178.698 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . 0.522 ' HG2' HG12 ' B' ' 27' ' ' VAL . 24.4 mt-30 -65.55 -26.84 68.06 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.027 -178.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -77.52 -34.68 53.95 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.747 -174.449 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 5.4 m -82.07 -41.31 20.74 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.671 -0.695 . . . . 0.0 112.094 -171.109 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.678 HG11 HD22 ' B' ' 81' ' ' LEU . 12.9 p -105.57 -21.53 5.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 120.817 0.341 . . . . 0.0 111.196 -173.154 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -57.33 -28.23 58.86 Favored Glycine 0 C--N 1.331 0.278 0 CA-C-N 116.042 -0.526 . . . . 0.0 113.171 -176.658 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . 0.4 HE21 ' HB2' ' A' ' 117' ' ' GLN . 0.0 OUTLIER -85.88 -1.8 57.63 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.635 0.255 . . . . 0.0 111.595 -177.96 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . 0.536 ' HB3' HD23 ' A' ' 76' ' ' LEU . 84.7 m-85 -110.85 -29.96 7.74 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.878 0.371 . . . . 0.0 110.624 177.523 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.44 ' O ' ' HB3' ' B' ' 22' ' ' SER . 35.6 m -89.52 -1.32 9.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 121.254 0.549 . . . . 0.0 110.468 175.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.644 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.865 178.485 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.428 0 N-CA-C 111.834 -0.506 . . . . 0.0 111.834 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' -4' ' ' SER . . . . . . . . . . . . . 47.1 t -173.17 139.25 0.79 Allowed 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 110.098 -0.334 . . . . 0.0 110.098 178.591 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' -3' ' ' GLY . . . . . 0.675 ' O ' ' HB2' ' A' ' -1' ' ' SER . . . 86.62 -75.32 2.24 Favored Glycine 0 N--CA 1.447 -0.619 0 C-N-CA 120.956 -0.64 . . . . 0.0 112.445 177.644 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' -2' ' ' ASN . . . . . . . . . . . . . 38.5 t-20 -128.28 88.76 2.8 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 121.12 0.485 . . . . 0.0 110.636 -177.383 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' -1' ' ' SER . . . . . . . . . . . . . 49.8 m -103.06 -68.22 0.84 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.714 175.732 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 33.2 m -123.09 145.8 29.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 174.541 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 2' ' ' THR . . . . . 0.523 HG22 ' HA ' ' A' ' 2' ' ' THR . 41.2 p -115.05 150.82 35.3 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.762 0.315 . . . . 0.0 111.737 -174.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 13.3 m -75.55 101.43 4.89 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.871 -179.771 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -135.89 -172.28 12.6 Favored Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 120.646 -0.788 . . . . 0.0 111.898 178.7 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . 82.98 -72.85 2.77 Favored Glycine 0 N--CA 1.447 -0.568 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.764 178.015 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 6' ' ' TYR . . . . . . . . . . . . . 44.4 p90 -56.84 -32.53 65.87 Favored 'General case' 0 N--CA 1.466 0.326 0 N-CA-C 111.953 0.353 . . . . 0.0 111.953 -174.486 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -64.5 -21.35 66.67 Favored Glycine 0 C--N 1.331 0.277 0 C-N-CA 121.051 -0.595 . . . . 0.0 112.846 -177.579 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 67.0 m-85 -130.23 23.95 5.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.381 0.61 . . . . 0.0 109.743 179.773 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 167.35 78.62 0.04 OUTLIER Glycine 0 N--CA 1.446 -0.647 0 CA-C-N 115.331 -0.85 . . . . 0.0 111.678 -178.541 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 10.1 t -116.62 -25.88 7.23 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.183 0.516 . . . . 0.0 110.339 178.281 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 49.4 m -150.05 156.92 42.53 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.532 -0.758 . . . . 0.0 108.993 178.052 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -73.98 85.92 1.79 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.009 0.433 . . . . 0.0 110.2 176.021 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -99.57 152.07 20.45 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.453 -179.036 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -87.37 -17.69 31.78 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.143 -179.21 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 15' ' ' GLY . . . . . 0.487 ' HA3' ' N ' ' B' ' 25' ' ' GLY . . . 169.08 -166.49 39.75 Favored Glycine 0 N--CA 1.447 -0.624 0 C-N-CA 120.247 -0.978 . . . . 0.0 112.977 178.668 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 16' ' ' ALA . . . . . 0.563 ' HA ' ' OE1' ' B' ' 74' ' ' GLU . . . 65.36 89.22 0.1 Allowed 'General case' 0 C--O 1.234 0.238 0 C-N-CA 123.325 0.65 . . . . 0.0 111.136 -178.182 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 70.39 44.03 60.24 Favored Glycine 0 CA--C 1.519 0.317 0 CA-C-N 115.364 -0.834 . . . . 0.0 113.154 -179.499 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . 0.543 ' CG2' ' HA ' ' B' ' 23' ' ' TYR . 0.2 OUTLIER -84.57 -60.79 2.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.74 0.305 . . . . 0.0 111.709 179.312 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -108.49 -169.41 1.5 Allowed 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.601 0.239 . . . . 0.0 110.526 -177.544 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . 0.474 ' HB1' ' HB1' ' A' ' 20' ' ' ALA . . . -74.03 -49.64 23.31 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.939 -178.556 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -133.99 22.56 3.81 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.911 -0.662 . . . . 0.0 111.67 -178.358 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 22' ' ' SER . . . . . 0.44 ' HB3' ' O ' ' A' ' 119' ' ' VAL . 27.2 m -136.29 130.18 32.56 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.202 -0.499 . . . . 0.0 110.101 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 23' ' ' TYR . . . . . 0.543 ' HA ' ' CG2' ' B' ' 18' ' ' VAL . 0.1 OUTLIER -148.95 117.55 6.57 Favored 'General case' 0 N--CA 1.445 -0.676 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.32 -178.166 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.14 -22.72 52.15 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.734 179.326 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . 0.487 ' N ' ' HA3' ' B' ' 15' ' ' GLY . . . -64.02 -28.77 73.3 Favored Glycine 0 N--CA 1.453 -0.201 0 C-N-CA 121.08 -0.581 . . . . 0.0 112.53 -178.533 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 26' ' ' ALA . . . . . 0.509 ' HB1' ' HB2' ' B' ' 78' ' ' GLN . . . -71.46 -19.88 62.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.307 0.575 . . . . 0.0 110.166 177.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . 0.522 HG12 ' HG2' ' A' ' 112' ' ' GLN . 2.3 t -90.34 -42.21 13.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.254 -0.884 . . . . 0.0 109.92 179.707 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 77.8 m-20 -67.17 -21.63 65.79 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.445 -0.798 . . . . 0.0 111.409 -175.185 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 6.5 ptp180 -88.83 3.9 49.56 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.937 0.399 . . . . 0.0 110.777 -179.363 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . 0.466 ' HB3' HD12 ' A' ' 108' ' ' LEU . 91.5 mt -75.1 -26.42 59.26 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.204 -178.821 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 11.2 p -78.59 1.77 21.51 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.248 0.547 . . . . 0.0 110.72 178.64 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 47.2 t -77.15 151.24 35.41 Favored 'General case' 0 N--CA 1.445 -0.687 0 N-CA-C 108.947 -0.761 . . . . 0.0 108.947 173.31 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.34 -16.77 49.41 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.895 0.378 . . . . 0.0 111.425 -178.16 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . 0.413 ' O ' ' HG3' ' B' ' 38' ' ' ARG . 27.6 mt-10 -55.72 -61.46 2.34 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.892 178.507 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 35' ' ' ALA . . . . . 0.519 ' O ' HG23 ' B' ' 39' ' ' VAL . . . -57.02 -51.8 67.82 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.665 179.619 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -58.05 -18.33 23.78 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 112.263 0.468 . . . . 0.0 112.263 -177.139 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 31.8 t -89.45 -27.98 20.02 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.384 178.274 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 38' ' ' ARG . . . . . 0.521 ' HD2' ' OE1' ' B' ' 82' ' ' GLU . 70.5 mtt180 -92.44 -47.44 7.16 Favored 'General case' 0 CA--C 1.515 -0.388 0 CA-C-O 121.938 0.875 . . . . 0.0 109.425 -176.151 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . 0.558 ' O ' HG23 ' B' ' 43' ' ' ILE . 59.9 t -57.52 -41.32 78.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 CA-C-N 114.02 -1.445 . . . . 0.0 110.673 -178.67 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 40' ' ' SER . . . . . 0.428 ' O ' HG12 ' B' ' 43' ' ' ILE . 65.2 p -72.78 -13.87 61.41 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.729 -177.453 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 35.3 t -90.84 -11.54 39.02 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.234 0.54 . . . . 0.0 110.399 -178.223 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 42' ' ' ASN . . . . . 0.474 ' HB3' HG13 ' B' ' 57' ' ' VAL . 43.4 m-80 -117.75 -6.12 11.08 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.307 -175.616 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 43' ' ' ILE . . . . . 0.558 HG23 ' O ' ' B' ' 39' ' ' VAL . 6.6 pt -56.75 -43.43 79.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.472 179.556 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . 0.509 ' N ' HG13 ' B' ' 43' ' ' ILE . . . -74.8 -15.65 60.74 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.081 0.467 . . . . 0.0 111.166 -174.382 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -78.97 -51.08 10.12 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.8 179.573 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 46' ' ' ILE . . . . . 0.413 HG21 ' HB3' ' B' ' 87' ' ' LEU . 34.2 mt -64.47 -33.61 64.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.512 179.483 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . 0.826 ' HB1' HD13 ' A' ' 96' ' ' ILE . . . -63.82 -25.78 68.33 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.415 179.222 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 38.9 m -99.37 -33.58 10.65 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.593 -175.579 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -97.36 -21.67 19.16 Favored Glycine 0 CA--C 1.517 0.215 0 C-N-CA 120.438 -0.887 . . . . 0.0 113.102 -178.064 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 74.43 -76.55 1.11 Allowed Glycine 0 N--CA 1.451 -0.334 0 N-CA-C 111.476 -0.65 . . . . 0.0 111.476 -178.763 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -123.2 -17.36 6.66 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-O 121.126 0.489 . . . . 0.0 110.57 179.066 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 7.7 m -72.2 -20.65 61.54 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.447 -177.686 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -90.42 -13.22 35.37 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.785 -176.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 54' ' ' LEU . . . . . 0.541 ' O ' HG13 ' B' ' 58' ' ' ILE . 37.4 mt -54.74 -58.63 13.45 Favored Pre-proline 0 C--N 1.326 -0.422 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.8 -177.566 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 55' ' ' PRO . . . . . 0.423 ' HD2' ' N ' ' B' ' 54' ' ' LEU . 19.6 Cg_endo -59.37 -22.93 68.0 Favored 'Trans proline' 0 C--N 1.353 0.804 0 C-N-CA 122.12 1.88 . . . . 0.0 112.417 -177.159 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 5.7 m -86.85 -40.25 15.08 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.213 0.53 . . . . 0.0 110.677 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . 0.474 HG13 ' HB3' ' B' ' 42' ' ' ASN . 42.3 t -79.24 -39.05 20.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.497 -173.217 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 58' ' ' ILE . . . . . 0.64 HG12 HD22 ' B' ' 83' ' ' LEU . 57.9 mt -59.04 -39.65 78.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.794 176.678 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 7.5 t -69.17 -38.22 78.6 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.088 -178.473 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 96.2 m-20 -61.03 -46.56 90.24 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.754 179.328 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 63.7 mt -74.75 -45.17 45.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 115.54 -0.755 . . . . 0.0 111.052 -178.789 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 62' ' ' TYR . . . . . 0.439 ' O ' HG23 ' B' ' 66' ' ' VAL . 53.8 t80 -56.29 -48.89 75.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.913 -179.253 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 32.3 t -60.61 -31.03 70.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.97 0.414 . . . . 0.0 110.444 179.124 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -73.6 -42.16 41.1 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.802 -0.714 . . . . 0.0 111.56 179.291 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 65' ' ' VAL . . . . . 0.693 HG12 HG11 ' B' ' 70' ' ' VAL . 96.0 t -66.51 -46.13 87.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-O 121.019 0.438 . . . . 0.0 110.92 178.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 66' ' ' VAL . . . . . 0.439 HG23 ' O ' ' B' ' 62' ' ' TYR . 98.9 t -62.87 -38.81 82.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.042 -179.005 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -73.18 -6.29 44.86 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.86 0.362 . . . . 0.0 111.668 -179.724 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 22.9 t -85.36 -14.65 45.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.932 0.396 . . . . 0.0 110.465 179.633 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 93.29 34.9 6.48 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.465 -0.874 . . . . 0.0 112.342 -179.281 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.693 HG11 HG12 ' B' ' 65' ' ' VAL . 12.7 p -82.24 162.42 3.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 N-CA-C 110.133 -0.321 . . . . 0.0 110.133 177.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 71' ' ' SER . . . . . 0.4 ' N ' HG22 ' B' ' 70' ' ' VAL . 28.9 t -66.31 146.09 54.99 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 174.349 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 7.4 m -52.53 -55.93 18.76 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 112.834 0.679 . . . . 0.0 112.834 -170.811 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 73' ' ' ASN . . . . . 0.499 ' HB3' ' OH ' ' B' ' 23' ' ' TYR . 0.2 OUTLIER -79.43 -24.99 42.11 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.967 0.413 . . . . 0.0 110.358 -176.363 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 74' ' ' GLU . . . . . 0.563 ' OE1' ' HA ' ' B' ' 16' ' ' ALA . 37.6 tt0 -69.03 -28.28 66.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.984 0.421 . . . . 0.0 110.203 179.122 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -54.68 -43.8 72.78 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.393 178.465 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 76' ' ' LEU . . . . . 0.475 HD23 ' HB3' ' B' ' 118' ' ' TYR . 2.9 tm? -58.02 -43.74 86.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.449 -179.747 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 77' ' ' ILE . . . . . 0.636 ' O ' ' HG ' ' B' ' 81' ' ' LEU . 45.9 mm -65.79 -56.15 16.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.035 -177.306 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 78' ' ' GLN . . . . . 0.509 ' HB2' ' HB1' ' B' ' 26' ' ' ALA . 29.4 tt0 -58.05 -47.48 82.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.658 -0.246 . . . . 0.0 111.044 -179.663 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.91 -37.54 82.61 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.956 0.408 . . . . 0.0 110.787 -178.741 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 80' ' ' LEU . . . . . 0.415 HD23 ' HA ' ' B' ' 80' ' ' LEU . 3.6 mt -70.96 -44.83 65.24 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.913 178.65 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . 0.678 HD22 HG11 ' A' ' 115' ' ' VAL . 19.9 mt -63.9 -36.47 84.04 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 121.011 0.434 . . . . 0.0 110.682 -177.482 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 82' ' ' GLU . . . . . 0.521 ' OE1' ' HD2' ' B' ' 38' ' ' ARG . 50.6 mt-10 -63.76 -34.37 77.75 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.413 171.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 83' ' ' LEU . . . . . 0.64 HD22 HG12 ' B' ' 58' ' ' ILE . 23.6 tp -69.38 -46.33 67.18 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.873 0.368 . . . . 0.0 110.745 176.558 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 84' ' ' LEU . . . . . 0.414 ' O ' HG22 ' B' ' 88' ' ' VAL . 10.6 mp -59.62 -15.64 20.36 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.242 -179.626 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 85' ' ' SER . . . . . 0.416 ' OG ' HD13 ' A' ' 108' ' ' LEU . 30.3 m -91.46 -29.17 17.18 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.762 0.315 . . . . 0.0 110.802 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 86' ' ' ALA . . . . . 0.464 ' HB2' HG13 ' B' ' 39' ' ' VAL . . . -71.47 -43.91 65.72 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.407 0.622 . . . . 0.0 110.437 -177.128 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 87' ' ' LEU . . . . . 0.451 HD12 HG13 ' B' ' 88' ' ' VAL . 1.4 pp -80.19 -17.27 52.85 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.239 -0.891 . . . . 0.0 112.891 -172.08 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 88' ' ' VAL . . . . . 0.451 HG13 HD12 ' B' ' 87' ' ' LEU . 17.0 m -92.5 -24.88 5.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 C-N-CA 120.509 -0.476 . . . . 0.0 110.64 175.85 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 89' ' ' HIS . . . . . 0.418 ' CD2' HG22 ' A' ' 104' ' ' VAL . 77.3 t60 -66.14 -35.91 81.73 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.013 -0.54 . . . . 0.0 109.886 178.514 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 90' ' ' VAL . . . . . 0.526 ' HA ' HG11 ' A' ' 99' ' ' VAL . 22.3 m -65.92 -25.62 36.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.456 -175.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 91' ' ' LEU . . . . . 0.677 ' HA ' ' HB3' ' B' ' 94' ' ' ALA . 3.5 mm? -66.33 -20.22 66.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.813 0.34 . . . . 0.0 111.141 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 22.9 t -66.46 -22.29 66.2 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.855 179.162 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . 0.604 ' HB3' HG12 ' A' ' 99' ' ' VAL . 23.1 t -121.85 11.44 10.39 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.613 0.72 . . . . 0.0 109.594 177.782 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 94' ' ' ALA . . . . . 0.677 ' HB3' ' HA ' ' B' ' 91' ' ' LEU . . . -108.26 95.92 6.0 Favored 'General case' 0 N--CA 1.446 -0.65 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.805 -179.324 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 16.7 t -77.03 87.26 3.54 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.538 -0.542 . . . . 0.0 109.538 177.663 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 96' ' ' ILE . . . . . 0.661 HD13 ' HB1' ' A' ' 47' ' ' ALA . 17.8 tt -67.78 144.6 14.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.22 -179.031 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 97' ' ' GLY . . . . . . . . . . . . . . . -92.87 -96.06 1.44 Allowed Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 120.847 -0.692 . . . . 0.0 112.369 -179.604 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 98' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -133.2 118.9 19.19 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.637 0.256 . . . . 0.0 110.728 -178.391 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 99' ' ' VAL . . . . . 0.44 HG11 ' HA ' ' A' ' 90' ' ' VAL . 4.2 m -111.4 128.41 67.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.773 177.374 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 100' ' ' SER . . . . . . . . . . . . . 26.1 m -94.96 151.98 18.73 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.225 179.383 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 101' ' ' SER . . . . . 0.469 ' HB3' ' HB2' ' A' ' 40' ' ' SER . 48.2 m -80.7 7.78 9.46 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.896 0.379 . . . . 0.0 111.902 -177.115 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 60.5 t -103.17 115.77 45.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 120.893 0.378 . . . . 0.0 110.371 -178.234 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . 123.02 -8.06 9.21 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.908 -0.663 . . . . 0.0 112.84 177.263 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 104' ' ' VAL . . . . . . . . . . . . . 38.3 t -61.69 -28.71 44.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 N-CA-C 111.597 0.221 . . . . 0.0 111.597 -177.48 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -46.41 -44.98 17.69 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.767 -179.725 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 36.0 t -69.07 -30.13 68.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.366 -177.646 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 20.3 m -71.22 -24.76 62.26 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.188 0.518 . . . . 0.0 110.123 -178.021 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 108' ' ' LEU . . . . . 0.518 HD11 HG21 ' A' ' 39' ' ' VAL . 4.5 mm? -68.34 -21.56 64.73 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.534 175.249 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 109' ' ' ASN . . . . . 0.545 ' N ' HD22 ' B' ' 109' ' ' ASN . 0.8 OUTLIER -78.22 -38.04 44.05 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.825 -177.735 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 110' ' ' VAL . . . . . . . . . . . . . 8.7 p -81.89 -27.58 9.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.428 -174.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 111' ' ' VAL . . . . . 0.418 HG12 ' O ' ' B' ' 108' ' ' LEU . 10.1 p -64.99 -33.34 63.04 Favored 'Isoleucine or valine' 0 C--O 1.236 0.355 0 CA-C-O 121.173 0.511 . . . . 0.0 110.192 178.04 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 112' ' ' GLN . . . . . 0.506 ' HG3' ' O ' ' B' ' 108' ' ' LEU . 25.4 mt-30 -64.08 -27.86 69.39 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.648 -0.706 . . . . 0.0 110.389 179.064 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 113' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -76.67 -29.95 56.57 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 114.992 -1.004 . . . . 0.0 110.932 -175.249 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 6.3 m -85.27 -41.71 15.31 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.593 -0.73 . . . . 0.0 112.019 -172.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 115' ' ' VAL . . . . . 0.672 HG11 HD22 ' A' ' 81' ' ' LEU . 14.7 p -106.72 -22.04 5.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 120.783 0.325 . . . . 0.0 111.646 -172.404 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 116' ' ' GLY . . . . . . . . . . . . . . . -60.35 -22.68 59.06 Favored Glycine 0 C--O 1.228 -0.257 0 CA-C-N 116.201 -0.454 . . . . 0.0 113.107 -176.161 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.54 -0.2 52.24 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 111.729 0.27 . . . . 0.0 111.729 -178.75 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 118' ' ' TYR . . . . . 0.475 ' HB3' HD23 ' B' ' 76' ' ' LEU . 82.8 m-85 -115.01 -37.31 4.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.856 0.36 . . . . 0.0 110.67 177.432 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 119' ' ' VAL . . . . . 0.442 HG21 HG21 ' A' ' 27' ' ' VAL . 35.9 m -85.24 -1.06 6.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.485 -177.852 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.128 0 CA-C-O 117.904 -1.498 . . . . 0.0 111.408 178.756 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.72 0 N-CA-C 112.411 -0.275 . . . . 0.0 112.411 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 39.5 m -96.15 -21.02 18.17 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.818 0.342 . . . . 0.0 110.481 177.506 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . -90.23 147.66 19.3 Favored Glycine 0 N--CA 1.448 -0.566 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.14 179.685 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' -2' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -135.62 138.84 43.31 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 -177.572 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 27.1 p -114.76 123.5 49.41 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.662 0.268 . . . . 0.0 111.35 -177.753 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 50.0 t -124.73 115.9 45.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.109 -0.496 . . . . 0.0 109.875 176.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 13.6 t -95.33 125.11 39.73 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.4 0.619 . . . . 0.0 111.001 -177.419 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 54.1 m -155.67 138.32 15.13 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.751 -0.659 . . . . 0.0 109.538 177.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -164.83 -108.98 0.22 Allowed Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.534 -0.841 . . . . 0.0 112.663 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 110.13 -95.88 0.9 Allowed Glycine 0 N--CA 1.449 -0.467 0 N-CA-C 111.311 -0.715 . . . . 0.0 111.311 -175.653 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.411 ' HB2' HG22 ' A' ' 10' ' ' THR . 33.9 p90 -149.18 -174.16 4.57 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.789 -0.448 . . . . 0.0 109.789 176.475 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 113.98 -94.2 0.68 Allowed Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.548 -0.834 . . . . 0.0 112.216 178.006 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -80.17 -25.37 39.81 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.293 0.568 . . . . 0.0 110.087 179.43 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -147.13 148.52 20.21 Favored Glycine 0 N--CA 1.448 -0.52 0 N-CA-C 110.059 -1.216 . . . . 0.0 110.059 175.3 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.411 HG22 ' HB2' ' A' ' 6' ' ' TYR . 38.9 p -133.69 -80.5 0.47 Allowed 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 117.476 0.638 . . . . 0.0 111.891 -175.638 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 45.4 m -155.15 -54.81 0.09 Allowed 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.028 -0.533 . . . . 0.0 109.897 -177.028 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -177.71 85.57 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.534 178.158 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -98.62 -178.43 3.99 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.762 0.315 . . . . 0.0 110.729 175.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -87.52 62.81 7.3 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.688 0.756 . . . . 0.0 110.148 176.536 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.489 ' HA2' ' CG1' ' A' ' 18' ' ' VAL . . . -66.45 104.03 0.99 Allowed Glycine 0 N--CA 1.438 -1.206 0 CA-C-N 114.961 -1.018 . . . . 0.0 113.743 -179.436 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -132.94 94.4 3.36 Favored 'General case' 0 C--N 1.313 -0.995 0 N-CA-C 108.474 -0.936 . . . . 0.0 108.474 176.798 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 63.06 34.49 90.11 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.759 -0.734 . . . . 0.0 111.494 -169.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.489 ' CG1' ' HA2' ' A' ' 15' ' ' GLY . 2.1 m -77.96 -46.13 26.83 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.168 0 CA-C-O 121.055 0.455 . . . . 0.0 111.261 -178.499 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.503 ' HB3' ' HB2' ' A' ' 22' ' ' SER . . . -119.46 -178.22 3.55 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 116.054 -0.521 . . . . 0.0 109.788 178.815 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -68.15 -44.41 76.08 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 120.721 0.296 . . . . 0.0 111.653 -176.414 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -135.95 16.92 3.93 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.948 -0.644 . . . . 0.0 111.859 179.055 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.503 ' HB2' ' HB3' ' A' ' 19' ' ' ALA . 5.7 m -123.18 124.16 42.42 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 120.678 0.275 . . . . 0.0 110.75 -179.86 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.437 ' CE1' ' HA ' ' A' ' 74' ' ' GLU . 0.1 OUTLIER -150.06 111.26 4.4 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 178.766 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.454 ' H ' ' HA3' ' A' ' 15' ' ' GLY . . . -78.06 -15.9 58.5 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.755 -177.41 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.66 -30.68 78.35 Favored Glycine 0 N--CA 1.452 -0.29 0 N-CA-C 111.47 -0.652 . . . . 0.0 111.47 179.527 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.593 ' HB1' ' HB2' ' A' ' 78' ' ' GLN . . . -71.27 -11.39 60.89 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.189 0.519 . . . . 0.0 110.537 177.053 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.595 HG22 ' CD1' ' A' ' 81' ' ' LEU . 3.4 t -98.0 -43.17 11.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.866 -176.799 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 47.1 m-80 -62.0 -31.96 72.38 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-O 121.098 0.475 . . . . 0.0 110.949 -178.21 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 79.4 ttt180 -68.25 -13.99 62.65 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.639 -0.709 . . . . 0.0 111.695 -178.339 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.447 HD11 ' HB3' ' A' ' 81' ' ' LEU . 81.6 mt -68.7 -21.12 64.43 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.838 0.351 . . . . 0.0 111.638 -176.437 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 32.0 t -79.3 -3.19 44.89 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.054 -177.601 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 39.8 m -86.83 157.56 19.53 Favored 'General case' 0 N--CA 1.442 -0.873 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.134 176.302 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.59 -16.49 48.6 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.779 -178.258 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -52.32 -59.88 3.88 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.707 178.512 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.65 ' O ' HG23 ' A' ' 39' ' ' VAL . . . -62.73 -51.98 65.05 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.527 -0.761 . . . . 0.0 110.179 179.011 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -48.51 -38.14 19.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.993 -176.393 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 32.5 m -74.29 -20.72 60.03 Favored 'General case' 0 CA--C 1.539 0.534 0 N-CA-C 112.152 0.427 . . . . 0.0 112.152 -178.156 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.403 HH11 ' HD3' ' A' ' 38' ' ' ARG . 50.6 mtm-85 -99.01 -40.79 7.87 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.593 0.711 . . . . 0.0 109.808 -177.608 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.65 HG23 ' O ' ' A' ' 35' ' ' ALA . 35.2 t -65.47 -39.88 86.53 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.832 0 CA-C-N 114.677 -1.147 . . . . 0.0 110.915 -178.813 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 80.8 p -77.47 -3.72 41.85 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.843 0.354 . . . . 0.0 111.872 -177.304 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 15.4 t -94.69 -16.81 22.79 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.508 0.67 . . . . 0.0 109.848 179.193 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 42.4 m-80 -110.97 -3.08 15.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.224 -176.293 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.454 HG23 ' O ' ' A' ' 39' ' ' VAL . 3.3 pt -61.21 -34.48 60.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-O 121.185 0.516 . . . . 0.0 110.464 175.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.447 ' N ' HG13 ' A' ' 43' ' ' ILE . . . -83.81 1.92 40.7 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.068 -178.371 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -99.73 -51.68 3.67 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.241 177.579 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.439 HG21 ' HB3' ' A' ' 87' ' ' LEU . 34.0 mt -65.8 -33.34 62.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.749 -178.325 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.65 ' HB1' HD13 ' B' ' 96' ' ' ILE . . . -66.92 -14.44 62.79 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.607 179.181 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 44.6 t -98.17 -42.9 7.22 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.099 -177.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -99.05 -21.59 15.24 Favored Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.418 -0.896 . . . . 0.0 113.334 -175.751 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 72.9 -76.75 0.84 Allowed Glycine 0 N--CA 1.452 -0.297 0 N-CA-C 111.596 -0.602 . . . . 0.0 111.596 -178.138 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -114.34 -22.64 9.8 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-O 121.219 0.533 . . . . 0.0 110.151 179.486 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.7 m -72.82 -11.56 60.65 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.609 -179.29 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -91.7 -19.36 22.71 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.717 -178.683 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.537 HD11 HG11 ' B' ' 88' ' ' VAL . 51.0 mt -53.51 -58.93 10.78 Favored Pre-proline 0 CA--C 1.534 0.352 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.918 -176.216 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.45 ' HD3' ' HB2' ' A' ' 54' ' ' LEU . 38.5 Cg_endo -66.44 -7.95 19.26 Favored 'Trans proline' 0 C--N 1.353 0.793 0 C-N-CA 122.213 1.942 . . . . 0.0 112.862 -176.321 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 46.4 m -101.54 -38.67 7.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.979 0.419 . . . . 0.0 110.926 178.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 71.6 t -80.19 -40.8 20.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.41 -175.657 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.484 HG12 ' HG ' ' A' ' 83' ' ' LEU . 68.8 mt -58.18 -38.33 67.5 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.318 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.945 176.529 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 31.8 t -66.6 -41.33 88.62 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.108 -179.406 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 95.5 m-20 -59.97 -53.9 52.39 Favored 'General case' 0 C--O 1.231 0.117 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.049 178.735 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 54.9 mt -68.57 -43.85 83.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 115.502 -0.772 . . . . 0.0 111.581 -176.124 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.44 ' O ' HG23 ' A' ' 66' ' ' VAL . 58.9 t80 -55.98 -50.47 70.74 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.735 0.302 . . . . 0.0 110.731 -177.835 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 55.7 m -66.67 -20.94 66.09 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.475 -178.597 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -79.14 -39.69 18.75 Favored Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 120.519 -0.848 . . . . 0.0 111.415 176.461 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.645 HG12 HG11 ' A' ' 70' ' ' VAL . 84.9 t -72.02 -44.25 66.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-O 120.825 0.345 . . . . 0.0 111.322 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.44 HG23 ' O ' ' A' ' 62' ' ' TYR . 95.3 t -60.04 -36.79 69.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.751 0.31 . . . . 0.0 111.075 -178.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.56 -8.12 31.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.864 179.6 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 22.7 t -83.84 -12.45 55.57 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.94 -179.5 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 96.35 32.82 6.48 Favored Glycine 0 N--CA 1.453 -0.225 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.428 179.332 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.645 HG11 HG12 ' A' ' 65' ' ' VAL . 12.6 p -100.79 156.48 4.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-O 120.553 0.216 . . . . 0.0 110.494 178.345 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 45.4 t -65.91 153.16 42.8 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.596 -0.274 . . . . 0.0 110.37 177.484 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 4.8 m -59.61 -51.13 71.15 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 112.039 0.385 . . . . 0.0 112.039 -174.722 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -71.3 -30.43 66.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.97 0.414 . . . . 0.0 110.05 -176.515 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.437 ' HA ' ' CE1' ' A' ' 23' ' ' TYR . 31.5 tt0 -75.09 -33.27 61.62 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.146 0.498 . . . . 0.0 110.029 178.499 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.613 ' HB2' HG13 ' A' ' 70' ' ' VAL . . . -62.66 -39.81 95.07 Favored 'General case' 0 CA--C 1.517 -0.312 0 CA-C-N 115.762 -0.653 . . . . 0.0 110.816 175.866 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -53.2 -42.64 66.47 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.038 178.264 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.712 ' O ' ' HG ' ' A' ' 81' ' ' LEU . 45.3 mm -66.48 -58.32 6.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.045 -179.482 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . 0.593 ' HB2' ' HB1' ' A' ' 26' ' ' ALA . 24.0 tt0 -56.43 -46.25 80.37 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-O 120.608 0.242 . . . . 0.0 111.312 -179.769 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.66 -39.18 90.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.98 -178.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.496 ' O ' HD23 ' A' ' 84' ' ' LEU . 5.8 mt -70.01 -37.71 75.74 Favored 'General case' 0 C--O 1.221 -0.444 0 CA-C-O 120.829 0.347 . . . . 0.0 110.923 177.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.712 ' HG ' ' O ' ' A' ' 77' ' ' ILE . 81.6 mt -69.08 -33.35 73.39 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-O 120.819 0.343 . . . . 0.0 111.067 -179.743 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -75.06 -15.68 60.61 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.256 0.55 . . . . 0.0 110.561 172.837 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.484 ' HG ' HG12 ' A' ' 58' ' ' ILE . 3.4 tm? -85.31 -43.98 13.24 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 175.492 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.515 HD21 HD22 ' B' ' 84' ' ' LEU . 4.2 mm? -68.64 -9.18 48.36 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.275 -0.875 . . . . 0.0 112.024 -178.611 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 2.0 p -96.78 -32.1 12.3 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 120.876 0.369 . . . . 0.0 111.075 -179.331 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -66.0 -45.23 82.34 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.783 -179.467 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.489 HD12 HG13 ' A' ' 88' ' ' VAL . 1.3 pp -79.5 -17.73 53.48 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 112.997 0.74 . . . . 0.0 112.997 -172.396 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.489 HG13 HD12 ' A' ' 87' ' ' LEU . 16.9 m -91.5 -22.03 6.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 C-N-CA 120.19 -0.604 . . . . 0.0 110.592 176.623 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 67.8 t60 -70.3 -35.46 73.69 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 176.712 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.48 HG22 ' O ' ' A' ' 87' ' ' LEU . 19.0 m -64.86 -25.53 37.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.068 -177.589 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.62 ' HA ' ' HB3' ' A' ' 94' ' ' ALA . 2.8 mm? -63.7 -18.76 64.34 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.027 178.338 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 33.8 t -65.52 -23.55 66.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.74 178.272 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 6.7 t -127.68 11.55 6.74 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.665 0.745 . . . . 0.0 109.808 179.545 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.62 ' HB3' ' HA ' ' A' ' 91' ' ' LEU . . . -108.5 89.1 2.89 Favored 'General case' 0 N--CA 1.446 -0.646 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.275 178.585 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 11.5 t -75.54 87.11 2.65 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.691 -179.794 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.65 HD13 ' HB1' ' B' ' 47' ' ' ALA . 18.1 tt -66.82 149.17 11.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 115.183 -0.917 . . . . 0.0 111.764 -176.849 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -97.59 -106.91 2.5 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.509 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -124.52 117.67 24.88 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.82 0.343 . . . . 0.0 110.389 -179.418 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.491 HG11 ' HA ' ' B' ' 90' ' ' VAL . 6.1 m -102.41 142.09 17.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.049 -179.637 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 36.8 t -92.01 145.94 24.13 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.163 -178.384 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 5.7 p -82.35 -0.94 48.14 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.296 0.569 . . . . 0.0 110.346 176.606 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 48.8 t -94.67 107.19 19.08 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.28 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.966 -175.287 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 122.23 -2.41 10.57 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.681 177.298 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.436 ' O ' HD12 ' A' ' 108' ' ' LEU . 39.9 t -59.54 -35.98 62.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 120.465 0.174 . . . . 0.0 110.729 178.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.407 ' HA ' HD12 ' A' ' 108' ' ' LEU . 9.6 t70 -54.51 -41.96 70.25 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 121.477 0.656 . . . . 0.0 109.688 179.181 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 6.0 m -72.07 -35.17 69.21 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 115.249 -0.887 . . . . 0.0 111.475 -177.56 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 59.8 m -64.46 -34.62 78.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.172 0.511 . . . . 0.0 110.039 177.153 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.658 ' O ' ' HG3' ' A' ' 112' ' ' GLN . 1.4 mt -61.72 -23.92 66.45 Favored 'General case' 0 C--O 1.221 -0.415 0 CA-C-N 115.604 -0.725 . . . . 0.0 111.025 177.681 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . 0.469 HD22 ' N ' ' A' ' 109' ' ' ASN . 0.9 OUTLIER -67.63 -31.82 72.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.075 0.464 . . . . 0.0 110.536 178.099 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 26.3 t -82.12 -37.87 15.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.844 -176.08 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.551 HG12 ' O ' ' A' ' 108' ' ' LEU . 7.6 p -61.61 -31.0 49.43 Favored 'Isoleucine or valine' 0 C--O 1.234 0.277 0 CA-C-O 121.384 0.611 . . . . 0.0 110.057 -178.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . 0.658 ' HG3' ' O ' ' A' ' 108' ' ' LEU . 25.1 mt-30 -66.07 -20.7 66.25 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.825 -179.053 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -87.79 -32.92 18.83 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.445 -175.7 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 12.9 m -81.52 -43.52 18.66 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.806 -173.1 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.472 HG12 ' O ' ' A' ' 111' ' ' VAL . 7.3 p -108.18 -22.2 5.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 120.811 0.338 . . . . 0.0 111.283 -174.675 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -59.06 -28.42 63.82 Favored Glycine 0 CA--C 1.518 0.26 0 C-N-CA 121.279 -0.486 . . . . 0.0 113.002 -177.528 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . 0.432 HE21 ' HB2' ' A' ' 117' ' ' GLN . 0.0 OUTLIER -82.15 -5.22 58.3 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 111.792 0.293 . . . . 0.0 111.792 -178.593 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 89.3 m-85 -106.35 -28.7 10.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.945 0.402 . . . . 0.0 110.649 177.783 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.474 ' O ' ' HB3' ' B' ' 22' ' ' SER . 35.1 m -90.18 -4.24 10.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.979 177.653 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.393 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.445 179.27 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 N-CA-C 111.89 -0.484 . . . . 0.0 111.89 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' -4' ' ' SER . . . . . . . . . . . . . 43.3 m -96.95 105.39 17.52 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.799 0.333 . . . . 0.0 110.652 179.154 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' -3' ' ' GLY . . . . . . . . . . . . . . . 157.94 116.46 0.48 Allowed Glycine 0 N--CA 1.448 -0.544 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.191 178.68 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' -2' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -82.58 124.41 30.12 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.967 -0.383 . . . . 0.0 109.967 178.533 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' -1' ' ' SER . . . . . . . . . . . . . 5.6 p -81.08 104.3 11.48 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.346 -177.494 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 48.0 t -102.96 125.76 57.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.518 176.341 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 13.9 t -112.57 179.3 4.02 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 120.809 0.337 . . . . 0.0 110.666 -176.046 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 31.6 m -141.39 96.24 2.96 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.11 0.481 . . . . 0.0 110.174 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -88.52 77.72 1.79 Allowed Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.78 -0.724 . . . . 0.0 111.795 -179.438 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -122.86 -147.2 7.35 Favored Glycine 0 N--CA 1.445 -0.738 0 C-N-CA 120.646 -0.788 . . . . 0.0 112.841 -177.669 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 6' ' ' TYR . . . . . . . . . . . . . 9.9 p90 -154.49 -168.22 2.86 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.974 -0.38 . . . . 0.0 109.974 -177.763 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . 88.14 -93.93 1.94 Allowed Glycine 0 N--CA 1.447 -0.587 0 C-N-CA 120.627 -0.797 . . . . 0.0 112.363 179.602 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 22.1 t80 -74.12 -32.4 63.17 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.054 0.454 . . . . 0.0 110.435 -178.784 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -135.02 120.35 2.34 Favored Glycine 0 N--CA 1.449 -0.475 0 N-CA-C 111.409 -0.676 . . . . 0.0 111.409 178.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 77.1 p -133.47 -178.38 4.97 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.603 0.239 . . . . 0.0 110.736 -177.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 15.7 m -63.39 -49.03 75.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.147 0.499 . . . . 0.0 110.709 175.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -151.08 101.8 2.9 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.432 -179.407 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -107.07 177.57 4.81 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.671 178.333 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.91 175.37 8.15 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.462 177.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 15' ' ' GLY . . . . . 0.584 ' HA3' ' N ' ' B' ' 25' ' ' GLY . . . -142.28 -172.2 13.53 Favored Glycine 0 N--CA 1.444 -0.82 0 C-N-CA 120.037 -1.078 . . . . 0.0 113.354 -178.069 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . 68.02 86.34 0.13 Allowed 'General case' 0 C--O 1.233 0.23 0 C-N-CA 123.331 0.652 . . . . 0.0 111.398 -179.209 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 63.86 47.83 82.3 Favored Glycine 0 N--CA 1.452 -0.284 0 CA-C-N 115.572 -0.74 . . . . 0.0 112.92 -179.778 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . 0.516 ' CG2' ' HA ' ' B' ' 23' ' ' TYR . 0.3 OUTLIER -86.26 -60.87 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 N-CA-C 112.065 0.394 . . . . 0.0 112.065 -179.27 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 19' ' ' ALA . . . . . 0.401 ' H ' HG23 ' B' ' 18' ' ' VAL . . . -112.02 -175.38 2.67 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.643 -0.253 . . . . 0.0 110.387 -175.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -68.33 -53.19 25.84 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.053 -179.098 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -128.98 20.83 5.34 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.752 -0.737 . . . . 0.0 111.86 -176.709 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 22' ' ' SER . . . . . 0.474 ' HB3' ' O ' ' A' ' 119' ' ' VAL . 30.5 m -136.53 131.72 34.27 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.429 -0.385 . . . . 0.0 110.443 -179.779 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 23' ' ' TYR . . . . . 0.516 ' HA ' ' CG2' ' B' ' 18' ' ' VAL . 0.2 OUTLIER -150.04 120.05 7.19 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.278 -179.219 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -83.0 -19.87 36.17 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.101 179.667 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . 0.584 ' N ' ' HA3' ' B' ' 15' ' ' GLY . . . -67.69 -27.51 73.6 Favored Glycine 0 CA--C 1.508 -0.394 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.298 -177.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 26' ' ' ALA . . . . . 0.512 ' HB1' ' HB2' ' B' ' 78' ' ' GLN . . . -70.36 -14.04 62.4 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.175 0.512 . . . . 0.0 109.925 176.266 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . 0.48 HG12 ' HG2' ' A' ' 112' ' ' GLN . 2.6 t -96.24 -45.65 13.01 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.439 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.548 -178.625 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 58.5 m-80 -63.05 -23.17 67.32 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-O 120.873 0.368 . . . . 0.0 111.486 -176.045 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 4.3 ptm180 -92.41 8.96 36.23 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.047 0.451 . . . . 0.0 110.871 -174.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . 0.612 HD11 ' HB3' ' B' ' 81' ' ' LEU . 95.2 mt -73.57 -25.89 60.57 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.94 179.309 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 13.6 t -84.89 20.64 1.78 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.278 0.561 . . . . 0.0 110.134 177.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 69.7 m -94.68 151.18 19.5 Favored 'General case' 0 N--CA 1.44 -0.968 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.763 174.775 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -56.98 -23.39 45.52 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.781 -178.35 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -57.99 -54.68 44.22 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.439 178.151 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 35' ' ' ALA . . . . . 0.648 ' O ' HG23 ' B' ' 39' ' ' VAL . . . -67.76 -53.95 23.19 Favored 'General case' 0 CA--C 1.514 -0.426 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.729 -179.754 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.19 -37.43 34.96 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.03 0.381 . . . . 0.0 112.03 -175.406 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 29.6 m -80.08 -12.22 59.7 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 112.377 0.51 . . . . 0.0 112.377 -178.716 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 34.8 mtm180 -98.81 -47.84 5.15 Favored 'General case' 0 CA--C 1.515 -0.396 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 177.078 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . 0.648 HG23 ' O ' ' B' ' 35' ' ' ALA . 24.4 t -60.09 -36.83 70.09 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 CA-C-N 114.535 -1.211 . . . . 0.0 111.084 -178.568 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 60.6 p -72.98 -10.36 59.72 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.096 0.474 . . . . 0.0 111.332 179.611 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 22.8 t -92.61 -14.35 28.33 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.791 0.805 . . . . 0.0 109.149 177.077 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 42' ' ' ASN . . . . . 0.455 ' OD1' HD11 ' B' ' 61' ' ' ILE . 11.4 m120 -96.1 -27.3 15.14 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.063 -0.971 . . . . 0.0 109.967 -174.65 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 43' ' ' ILE . . . . . 0.586 HG13 ' N ' ' B' ' 44' ' ' ALA . 5.8 pt -56.56 -40.61 69.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 115.408 -0.814 . . . . 0.0 111.427 -178.845 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . 0.586 ' N ' HG13 ' B' ' 43' ' ' ILE . . . -81.72 -8.61 59.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.05 0.452 . . . . 0.0 111.077 -176.612 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -94.98 -49.46 5.54 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.094 -179.584 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 57.8 mt -65.51 -34.8 72.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.324 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . 0.65 ' HB1' HD13 ' A' ' 96' ' ' ILE . . . -68.74 -6.53 27.02 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.676 179.211 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 30.6 t -103.1 -11.31 18.18 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.797 -0.183 . . . . 0.0 111.4 -177.047 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -140.55 -27.3 0.21 Allowed Glycine 0 C--N 1.33 0.222 0 C-N-CA 119.979 -1.105 . . . . 0.0 113.414 -176.75 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 86.26 -73.07 2.57 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 121.145 -0.55 . . . . 0.0 111.728 -178.369 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -118.04 -21.88 8.08 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.796 0.331 . . . . 0.0 111.167 -179.255 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 6.1 m -70.2 -20.41 63.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.228 0.537 . . . . 0.0 111.047 -176.408 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -90.27 -13.72 34.75 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.127 -176.684 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 54' ' ' LEU . . . . . 0.464 HD11 HG11 ' A' ' 88' ' ' VAL . 39.9 mt -56.11 -57.99 19.05 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-N 116.069 -0.514 . . . . 0.0 112.022 -176.011 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 55' ' ' PRO . . . . . 0.405 ' HD2' ' N ' ' B' ' 54' ' ' LEU . 19.7 Cg_endo -60.31 -26.82 83.57 Favored 'Trans proline' 0 C--N 1.353 0.781 0 C-N-CA 121.89 1.727 . . . . 0.0 112.669 -177.678 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 33.7 m -86.69 -23.95 25.39 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.062 0.458 . . . . 0.0 111.112 -178.372 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 42.8 t -92.99 -42.17 13.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.868 -177.267 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 58' ' ' ILE . . . . . 0.452 HG12 ' HG ' ' B' ' 83' ' ' LEU . 63.7 mt -61.08 -38.9 80.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.802 0.334 . . . . 0.0 110.522 179.503 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 5.6 t -65.47 -36.99 85.53 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.219 -0.446 . . . . 0.0 109.823 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 -62.82 -51.08 68.44 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.807 177.543 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . 0.455 HD11 ' OD1' ' B' ' 42' ' ' ASN . 46.7 mt -65.64 -47.3 86.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 115.648 -0.705 . . . . 0.0 111.215 -178.065 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 62' ' ' TYR . . . . . 0.476 ' O ' HG23 ' B' ' 66' ' ' VAL . 54.6 t80 -56.91 -47.96 79.34 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.787 0.327 . . . . 0.0 110.433 -178.66 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 23.0 m -64.02 -25.15 67.99 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.031 -0.532 . . . . 0.0 111.052 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -78.14 -43.37 13.66 Favored Glycine 0 N--CA 1.449 -0.473 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 176.203 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 65' ' ' VAL . . . . . 0.717 HG12 HG11 ' B' ' 70' ' ' VAL . 76.0 t -64.56 -46.86 91.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 115.285 -0.457 . . . . 0.0 111.084 -179.442 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 66' ' ' VAL . . . . . 0.476 HG23 ' O ' ' B' ' 62' ' ' TYR . 80.3 t -62.09 -40.0 85.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.949 -179.826 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -69.03 -13.87 62.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.678 -179.225 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 56.9 m -73.05 -26.24 61.22 Favored 'General case' 0 N--CA 1.441 -0.881 0 CA-C-O 120.88 0.371 . . . . 0.0 110.94 179.288 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 104.1 39.24 2.51 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.659 -0.782 . . . . 0.0 111.855 -176.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.717 HG11 HG12 ' B' ' 65' ' ' VAL . 13.6 p -97.08 163.34 2.45 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 N-CA-C 110.284 -0.265 . . . . 0.0 110.284 179.411 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 71' ' ' SER . . . . . 0.413 ' N ' HG22 ' B' ' 70' ' ' VAL . 1.1 m -66.47 153.09 43.78 Favored 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 110.146 -0.316 . . . . 0.0 110.146 175.049 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 15.5 m -56.34 -56.36 22.08 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 112.718 0.636 . . . . 0.0 112.718 -173.145 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 73' ' ' ASN . . . . . 0.412 ' HB3' ' OH ' ' B' ' 23' ' ' TYR . 0.2 OUTLIER -79.44 -22.85 43.64 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.105 0.479 . . . . 0.0 110.243 -176.189 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 74' ' ' GLU . . . . . 0.471 ' HA ' ' CE1' ' B' ' 23' ' ' TYR . 32.4 tt0 -70.84 -29.28 65.37 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.917 178.861 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . 0.433 ' HB2' HG13 ' B' ' 70' ' ' VAL . . . -61.1 -39.82 91.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.324 -0.853 . . . . 0.0 111.11 176.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 76' ' ' LEU . . . . . 0.549 HD23 ' HB3' ' B' ' 118' ' ' TYR . 2.7 tm? -56.28 -47.32 78.85 Favored 'General case' 0 CA--C 1.518 -0.257 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.977 179.594 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 77' ' ' ILE . . . . . 0.717 ' O ' ' HG ' ' B' ' 81' ' ' LEU . 41.5 mm -62.04 -57.74 10.7 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-N 115.284 -0.871 . . . . 0.0 110.953 -177.835 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 78' ' ' GLN . . . . . 0.512 ' HB2' ' HB1' ' B' ' 26' ' ' ALA . 36.3 tt0 -57.13 -46.48 82.63 Favored 'General case' 0 C--O 1.234 0.263 0 O-C-N 122.997 0.186 . . . . 0.0 111.282 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -59.68 -39.05 83.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.893 0.378 . . . . 0.0 110.878 -179.034 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 80' ' ' LEU . . . . . 0.696 ' O ' ' HG ' ' B' ' 84' ' ' LEU . 7.1 mt -72.11 -43.09 65.29 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.141 178.1 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . 0.717 ' HG ' ' O ' ' B' ' 77' ' ' ILE . 68.3 mt -58.53 -42.52 87.95 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.909 0.385 . . . . 0.0 111.007 -179.597 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 56.9 mt-10 -64.91 -33.57 76.34 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.477 176.279 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 83' ' ' LEU . . . . . 0.452 ' HG ' HG12 ' B' ' 58' ' ' ILE . 3.4 tm? -69.61 -39.62 77.11 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.608 -0.516 . . . . 0.0 109.608 177.883 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 84' ' ' LEU . . . . . 0.696 ' HG ' ' O ' ' B' ' 80' ' ' LEU . 12.8 mt -65.09 -17.64 64.63 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.202 -177.852 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 33.8 m -91.98 -32.16 15.34 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.001 0.429 . . . . 0.0 110.951 -173.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 86' ' ' ALA . . . . . 0.415 ' O ' HG13 ' B' ' 90' ' ' VAL . . . -67.41 -41.77 84.35 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.027 -176.661 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 87' ' ' LEU . . . . . 0.479 HD12 ' N ' ' B' ' 88' ' ' VAL . 1.3 pp -82.71 -20.24 36.47 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 112.934 0.716 . . . . 0.0 112.934 -172.23 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 88' ' ' VAL . . . . . 0.537 HG11 HD11 ' A' ' 54' ' ' LEU . 15.9 m -89.06 -22.49 6.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 C-N-CA 120.175 -0.61 . . . . 0.0 110.758 177.25 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 89' ' ' HIS . . . . . . . . . . . . . 60.7 t60 -69.18 -37.96 78.43 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.049 177.016 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 90' ' ' VAL . . . . . 0.491 ' HA ' HG11 ' A' ' 99' ' ' VAL . 25.7 m -66.57 -28.36 43.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 N-CA-C 112.172 0.434 . . . . 0.0 112.172 -174.485 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 91' ' ' LEU . . . . . 0.596 ' HA ' ' HB3' ' B' ' 94' ' ' ALA . 2.3 mm? -62.59 -21.76 65.86 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-O 120.802 0.334 . . . . 0.0 111.082 -179.737 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 13.9 t -63.68 -24.17 67.67 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.164 -178.642 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . 0.444 ' HB3' HG12 ' A' ' 99' ' ' VAL . 13.0 t -125.93 12.47 7.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.382 0.611 . . . . 0.0 110.043 178.311 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 94' ' ' ALA . . . . . 0.596 ' HB3' ' HA ' ' B' ' 91' ' ' LEU . . . -103.11 98.16 8.14 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.137 177.09 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 23.1 t -75.42 92.05 2.8 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.127 0.489 . . . . 0.0 109.708 179.02 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 96' ' ' ILE . . . . . 0.65 HD13 ' HB1' ' A' ' 47' ' ' ALA . 20.4 tt -73.47 145.62 11.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.968 -178.581 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 97' ' ' GLY . . . . . . . . . . . . . . . -92.72 -113.39 2.12 Favored Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.858 -0.687 . . . . 0.0 112.098 177.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 98' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -119.98 117.02 26.95 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.956 0.408 . . . . 0.0 110.593 -178.393 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 99' ' ' VAL . . . . . 0.519 ' CG1' HD11 ' B' ' 96' ' ' ILE . 11.6 m -99.45 151.9 4.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.647 178.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 100' ' ' SER . . . . . . . . . . . . . 22.3 t -120.17 161.28 21.32 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.155 -176.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 11.9 p -81.63 -0.06 40.78 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.066 0.46 . . . . 0.0 110.943 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 48.6 t -91.09 111.02 23.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.25 -175.749 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . 121.16 -12.21 9.78 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.914 173.634 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 104' ' ' VAL . . . . . . . . . . . . . 18.2 t -58.95 -33.93 51.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 N-CA-C 110.18 -0.304 . . . . 0.0 110.18 179.283 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -53.12 -43.23 66.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.267 178.086 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 25.8 m -80.02 -35.61 37.06 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.169 -178.449 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 31.3 m -59.92 -34.82 73.72 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 121.333 0.587 . . . . 0.0 110.337 177.446 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 108' ' ' LEU . . . . . 0.568 ' O ' ' HG3' ' B' ' 112' ' ' GLN . 3.1 mt -62.04 -27.51 68.94 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.523 -0.762 . . . . 0.0 111.354 177.459 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 109' ' ' ASN . . . . . 0.449 ' N ' HD22 ' B' ' 109' ' ' ASN . 0.9 OUTLIER -68.55 -25.71 65.05 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.075 0.464 . . . . 0.0 110.135 178.501 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 110' ' ' VAL . . . . . . . . . . . . . 34.4 t -84.86 -39.37 14.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.952 -177.097 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 111' ' ' VAL . . . . . 0.494 HG12 ' O ' ' B' ' 108' ' ' LEU . 7.8 p -62.78 -28.73 45.49 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.299 0 CA-C-O 121.31 0.576 . . . . 0.0 110.439 -178.836 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 112' ' ' GLN . . . . . 0.568 ' HG3' ' O ' ' B' ' 108' ' ' LEU . 26.3 mt-30 -68.76 -30.45 69.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.852 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 113' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -72.64 -39.0 67.53 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.365 -0.834 . . . . 0.0 110.447 -175.159 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 5.9 m -74.08 -41.92 60.94 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.303 -0.862 . . . . 0.0 112.324 -169.751 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 115' ' ' VAL . . . . . 0.42 HG11 ' CD2' ' A' ' 81' ' ' LEU . 12.6 p -113.1 -17.88 8.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-O 120.807 0.337 . . . . 0.0 111.823 -173.461 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 116' ' ' GLY . . . . . . . . . . . . . . . -56.29 -31.4 59.44 Favored Glycine 0 C--O 1.226 -0.381 0 C-N-CA 121.167 -0.539 . . . . 0.0 113.034 -178.479 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.07 -0.65 40.82 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 111.78 0.289 . . . . 0.0 111.78 -176.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 118' ' ' TYR . . . . . 0.549 ' HB3' HD23 ' B' ' 76' ' ' LEU . 64.7 m-85 -112.11 -23.16 10.61 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.1 0.476 . . . . 0.0 110.5 178.582 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 119' ' ' VAL . . . . . . . . . . . . . 34.4 m -95.52 -5.05 10.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.347 175.457 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 120' ' ' GLY . . . . . 0.444 ' HA3' ' HB2' ' A' ' 24' ' ' ALA . . . . . . . . 0 C--O 1.248 0.989 0 CA-C-O 118.564 -1.131 . . . . 0.0 112.243 179.186 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.798 0 N-CA-C 112.032 -0.427 . . . . 0.0 112.032 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' -4' ' ' SER . . . . . 0.434 ' HB2' ' HA2' ' B' ' -3' ' ' GLY . 15.2 m -102.18 132.98 47.76 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 110.113 -0.329 . . . . 0.0 110.113 178.324 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . -79.63 -8.77 87.47 Favored Glycine 0 C--N 1.331 0.26 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.879 -177.18 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' -2' ' ' ASN . . . . . . . . . . . . . 17.7 m120 -60.59 127.4 31.52 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 178.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . 0.511 ' CB ' ' HA ' ' B' ' -1' ' ' SER . 27.8 m -105.53 139.77 39.64 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.261 -0.427 . . . . 0.0 112.073 -170.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 46.2 t -90.23 -43.41 14.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.055 -0.52 . . . . 0.0 109.783 176.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 50.9 p 56.99 -85.17 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 114.007 1.114 . . . . 0.0 114.007 176.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.4 m -79.08 151.31 31.5 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.744 0.646 . . . . 0.0 112.744 -168.215 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.438 ' C ' ' H ' ' A' ' 6' ' ' TYR . . . 149.71 176.77 23.17 Favored Glycine 0 N--CA 1.448 -0.549 0 CA-C-N 115.242 -0.89 . . . . 0.0 111.096 177.734 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -76.12 26.66 1.48 Allowed Glycine 0 C--N 1.332 0.318 0 C-N-CA 121.092 -0.575 . . . . 0.0 112.494 177.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.706 ' HA ' HG22 ' A' ' 10' ' ' THR . 4.0 p90 -148.94 8.55 0.75 Allowed 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 122.806 0.443 . . . . 0.0 110.53 -178.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -105.22 115.36 4.9 Favored Glycine 0 N--CA 1.445 -0.714 0 C-N-CA 120.534 -0.841 . . . . 0.0 112.314 -174.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 68.4 m-85 59.06 20.69 8.57 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 123.173 0.589 . . . . 0.0 111.407 -179.46 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 153.28 115.05 0.57 Allowed Glycine 0 N--CA 1.446 -0.661 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 -177.633 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.706 HG22 ' HA ' ' A' ' 6' ' ' TYR . 12.9 p -89.07 -84.43 0.21 Allowed 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 120.8 0.333 . . . . 0.0 111.852 -176.745 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 16.6 m -71.8 -51.39 22.81 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.037 -0.528 . . . . 0.0 111.593 -176.397 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -142.26 110.06 5.82 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.822 -175.681 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -73.19 102.14 3.54 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.273 175.241 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -79.38 -56.63 4.19 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.145 -178.483 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.449 ' O ' ' HA3' ' A' ' 25' ' ' GLY . . . 148.3 63.18 0.01 OUTLIER Glycine 0 N--CA 1.445 -0.7 0 C-N-CA 120.21 -0.995 . . . . 0.0 112.989 178.712 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.462 ' H ' HG13 ' A' ' 18' ' ' VAL . . . -156.36 96.58 1.69 Allowed 'General case' 0 C--N 1.313 -1.009 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 178.2 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 62.5 40.78 99.53 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.356 -0.926 . . . . 0.0 111.731 -170.516 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.462 HG13 ' H ' ' A' ' 16' ' ' ALA . 2.4 m -84.96 -24.18 7.15 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.224 0 CA-C-O 121.244 0.545 . . . . 0.0 111.264 -178.558 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.491 ' HB3' ' HB2' ' A' ' 22' ' ' SER . . . -144.08 178.62 7.74 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.673 178.165 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -67.27 -44.33 79.62 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.329 -178.368 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -136.66 20.76 3.45 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.878 -0.677 . . . . 0.0 111.974 -179.02 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.491 ' HB2' ' HB3' ' A' ' 19' ' ' ALA . 34.2 m -130.41 122.65 28.18 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.803 0.335 . . . . 0.0 110.893 -179.757 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.598 ' CE1' ' HA ' ' A' ' 74' ' ' GLU . 0.0 OUTLIER -152.14 121.94 7.0 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 179.443 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -81.09 -21.2 40.15 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.651 -176.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.449 ' HA3' ' O ' ' A' ' 15' ' ' GLY . . . -62.13 -32.52 82.72 Favored Glycine 0 CA--C 1.511 -0.194 0 C-N-CA 120.996 -0.621 . . . . 0.0 112.205 179.716 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.502 ' HB1' ' HB2' ' A' ' 78' ' ' GLN . . . -69.87 -11.98 61.28 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.101 0.477 . . . . 0.0 110.477 178.46 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.517 HG12 ' HG2' ' B' ' 112' ' ' GLN . 3.4 t -96.76 -42.4 11.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.537 -178.418 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.412 HD22 ' HA2' ' A' ' 25' ' ' GLY . 47.2 m-80 -64.96 -33.99 77.34 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 121.039 0.447 . . . . 0.0 110.723 -178.226 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 16.8 ttp180 -59.47 -18.06 36.64 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 115.664 -0.698 . . . . 0.0 112.26 179.587 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.627 HD11 ' HB3' ' A' ' 81' ' ' LEU . 64.1 mt -68.24 -27.41 66.33 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.566 -177.266 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 32.4 t -77.95 -2.9 39.18 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.994 -177.385 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 66.4 m -85.19 155.08 21.58 Favored 'General case' 0 N--CA 1.44 -0.933 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 174.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.79 -16.18 57.01 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.737 -175.847 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -57.43 -55.33 36.15 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.756 179.462 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.551 ' O ' HG23 ' A' ' 39' ' ' VAL . . . -60.79 -47.79 84.75 Favored 'General case' 0 CA--C 1.515 -0.39 0 CA-C-O 120.9 0.381 . . . . 0.0 110.059 176.841 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -56.63 -17.21 7.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.863 -178.425 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 45.1 m -94.73 -16.52 22.99 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 112.26 0.467 . . . . 0.0 112.26 179.395 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 62.2 mtp85 -103.01 -42.89 5.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.757 0.789 . . . . 0.0 109.443 178.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.551 HG23 ' O ' ' A' ' 35' ' ' ALA . 40.7 t -61.66 -40.77 87.86 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-N 114.772 -1.104 . . . . 0.0 111.04 -179.648 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 84.0 p -75.32 -8.27 56.21 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.956 0.408 . . . . 0.0 111.419 -178.132 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 33.6 t -88.76 -16.95 30.89 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.271 0.558 . . . . 0.0 109.836 179.228 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 46.6 m-80 -116.28 -1.68 12.3 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.444 -173.718 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.46 HG13 ' N ' ' A' ' 44' ' ' ALA . 4.0 pt -58.76 -41.73 83.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.055 177.455 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.46 ' N ' HG13 ' A' ' 43' ' ' ILE . . . -77.46 -16.05 58.98 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.939 0.399 . . . . 0.0 110.726 -176.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -78.14 -51.07 10.82 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.244 -179.531 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.535 HG21 ' HB3' ' A' ' 87' ' ' LEU . 45.3 mt -68.26 -31.01 49.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.302 179.728 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.688 ' HB1' HD13 ' B' ' 96' ' ' ILE . . . -62.91 -28.17 69.87 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.008 178.544 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 36.3 t -95.58 -51.06 4.69 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.133 -178.335 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -80.09 -24.56 59.36 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.532 -0.842 . . . . 0.0 113.181 -175.265 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 72.15 -78.99 0.65 Allowed Glycine 0 N--CA 1.449 -0.466 0 N-CA-C 111.765 -0.534 . . . . 0.0 111.765 -179.06 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -116.22 -22.48 8.86 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 115.151 -0.524 . . . . 0.0 110.543 179.772 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 31.0 t -74.45 -14.42 60.84 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.253 0.549 . . . . 0.0 110.525 -178.18 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -89.24 -17.8 28.31 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.77 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.469 HD11 HG11 ' B' ' 88' ' ' VAL . 40.4 mt -54.4 -57.25 19.44 Favored Pre-proline 0 C--N 1.326 -0.438 0 CA-C-N 116.104 -0.498 . . . . 0.0 112.04 -175.779 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.449 ' HD2' ' N ' ' A' ' 54' ' ' LEU . 18.4 Cg_endo -60.88 -22.34 73.71 Favored 'Trans proline' 0 C--N 1.351 0.679 0 C-N-CA 122.221 1.947 . . . . 0.0 112.481 -176.807 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 15.2 m -88.02 -42.25 12.55 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.986 0.422 . . . . 0.0 110.502 -179.695 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 74.7 t -76.38 -41.41 35.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.322 -174.187 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.534 HG12 ' HG ' ' A' ' 83' ' ' LEU . 55.6 mt -57.63 -40.71 76.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.294 176.753 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 4.4 t -70.35 -39.4 74.69 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.14 -178.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 88.3 m-20 -58.64 -44.49 90.06 Favored 'General case' 0 CA--C 1.517 -0.309 0 CA-C-O 121.337 0.589 . . . . 0.0 110.828 178.464 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.493 HG21 ' HB2' ' A' ' 82' ' ' GLU . 62.4 mt -76.08 -47.53 31.33 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.108 -179.256 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.459 ' O ' HG23 ' A' ' 66' ' ' VAL . 53.3 t80 -52.75 -55.34 23.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.973 -178.669 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 8.1 t -63.47 -29.73 70.96 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.515 -177.202 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -69.82 -34.84 72.24 Favored Glycine 0 N--CA 1.448 -0.511 0 C-N-CA 120.923 -0.656 . . . . 0.0 112.176 -178.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.539 HG12 HG11 ' A' ' 70' ' ' VAL . 39.9 t -81.95 -40.45 17.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 120.771 0.32 . . . . 0.0 110.73 179.83 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.459 HG23 ' O ' ' A' ' 62' ' ' TYR . 98.4 t -59.18 -36.6 63.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.86 179.549 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.69 -16.61 50.45 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.849 179.418 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 20.1 t -78.84 -22.2 46.48 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.839 0.352 . . . . 0.0 110.612 179.772 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 106.14 30.93 4.27 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.559 -0.829 . . . . 0.0 112.918 178.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.591 HG13 ' HB2' ' A' ' 75' ' ' ALA . 13.9 p -95.35 158.15 3.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 177.586 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 48.0 t -65.08 144.94 56.92 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.979 -0.378 . . . . 0.0 109.979 175.569 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 4.2 p -59.4 -41.74 90.13 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 112.173 0.434 . . . . 0.0 112.173 -176.216 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -69.57 -35.6 75.52 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.84 0.352 . . . . 0.0 110.352 -177.357 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.598 ' HA ' ' CE1' ' A' ' 23' ' ' TYR . 31.4 tt0 -77.89 -32.57 51.92 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.18 0.514 . . . . 0.0 109.963 178.859 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.591 ' HB2' HG13 ' A' ' 70' ' ' VAL . . . -61.65 -39.15 90.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.544 174.629 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.546 HD23 ' HB3' ' A' ' 118' ' ' TYR . 2.7 tm? -51.21 -52.67 42.25 Favored 'General case' 0 CA--C 1.517 -0.297 0 O-C-N 123.747 0.654 . . . . 0.0 109.927 178.129 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.745 ' O ' ' HG ' ' A' ' 81' ' ' LEU . 37.8 mm -58.9 -57.41 11.37 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.194 -177.786 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . 0.502 ' HB2' ' HB1' ' A' ' 26' ' ' ALA . 10.3 tt0 -56.61 -46.14 81.08 Favored 'General case' 0 N--CA 1.465 0.286 0 C-N-CA 121.179 -0.208 . . . . 0.0 111.373 179.82 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -59.09 -39.43 82.18 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.834 0.35 . . . . 0.0 110.814 179.732 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.477 ' O ' HD23 ' A' ' 84' ' ' LEU . 3.4 mm? -69.59 -37.12 76.79 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.049 177.005 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.745 ' HG ' ' O ' ' A' ' 77' ' ' ILE . 63.4 mt -68.45 -37.93 80.65 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 120.74 0.305 . . . . 0.0 110.84 -179.457 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.493 ' HB2' HG21 ' A' ' 61' ' ' ILE . 46.7 mt-10 -71.51 -21.0 61.98 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.355 0.598 . . . . 0.0 110.595 175.147 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.534 ' HG ' HG12 ' A' ' 58' ' ' ILE . 3.4 tm? -79.5 -45.87 18.49 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.629 176.581 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.504 HD22 HD12 ' A' ' 83' ' ' LEU . 4.5 mm? -74.8 0.76 14.35 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.791 -0.64 . . . . 0.0 112.116 -176.812 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.9 p -101.78 -30.6 11.2 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.984 0.421 . . . . 0.0 110.741 177.757 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.428 ' HB2' HG13 ' A' ' 39' ' ' VAL . . . -66.33 -47.91 71.97 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.291 0.567 . . . . 0.0 110.828 179.762 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.535 ' HB3' HG21 ' A' ' 46' ' ' ILE . 1.1 pp -77.21 -17.16 58.71 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 113.165 0.802 . . . . 0.0 113.165 -171.835 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.461 HG11 HD11 ' B' ' 54' ' ' LEU . 16.2 m -91.4 -19.91 6.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 C-N-CA 120.242 -0.583 . . . . 0.0 110.541 177.099 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 59.5 t60 -73.3 -37.2 66.3 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 176.824 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.414 ' HB ' ' CD1' ' B' ' 96' ' ' ILE . 26.8 m -66.28 -25.94 36.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.71 -175.451 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.642 ' HA ' ' HB3' ' A' ' 94' ' ' ALA . 2.9 mm? -66.65 -20.43 65.99 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.651 0.263 . . . . 0.0 111.061 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 32.3 t -66.63 -17.96 65.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.763 0.316 . . . . 0.0 110.844 -179.652 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.9 t -131.09 17.08 5.06 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.621 0.724 . . . . 0.0 109.674 177.156 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.642 ' HB3' ' HA ' ' A' ' 91' ' ' LEU . . . -107.45 96.53 6.47 Favored 'General case' 0 N--CA 1.446 -0.647 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.277 178.222 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 31.4 t -72.18 87.21 1.09 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.804 179.592 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.703 HD13 ' HB1' ' B' ' 47' ' ' ALA . 20.8 tt -71.04 148.76 10.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.796 -178.193 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -101.08 -114.49 3.77 Favored Glycine 0 C--N 1.334 0.417 0 CA-C-N 116.088 -0.505 . . . . 0.0 112.425 179.496 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 10.1 t30 -114.54 111.83 21.99 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.78 0.324 . . . . 0.0 110.516 -179.144 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.549 ' CG1' HD11 ' A' ' 96' ' ' ILE . 7.3 m -95.74 137.72 23.11 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-O 121.216 0.532 . . . . 0.0 111.21 -179.701 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.445 ' HB2' HG12 ' A' ' 102' ' ' VAL . 21.8 p -87.7 138.78 31.17 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.494 -0.775 . . . . 0.0 110.89 -177.701 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 5.5 p -86.62 32.11 0.66 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.185 0.517 . . . . 0.0 110.542 178.666 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.445 HG12 ' HB2' ' A' ' 100' ' ' SER . 10.3 p -139.93 142.48 32.0 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.556 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 -178.562 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 99.58 -10.06 60.84 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.887 -0.673 . . . . 0.0 111.687 -177.436 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.407 ' O ' HD12 ' A' ' 108' ' ' LEU . 25.8 t -59.78 -32.18 48.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.553 0.216 . . . . 0.0 110.71 177.525 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -52.03 -44.81 64.35 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 121.744 0.783 . . . . 0.0 110.1 177.47 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 9.5 m -71.04 -36.65 72.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.159 -0.928 . . . . 0.0 111.066 -179.223 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 26.0 m -63.83 -37.18 86.43 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.934 0.397 . . . . 0.0 110.95 179.787 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.678 ' O ' HG12 ' A' ' 111' ' ' VAL . 1.6 mt -61.12 -34.1 74.44 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.471 179.847 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 11.0 m-80 -61.21 -27.64 68.57 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.979 0.419 . . . . 0.0 111.221 176.02 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 30.1 t -81.78 -37.19 14.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.746 -178.166 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.678 HG12 ' O ' ' A' ' 108' ' ' LEU . 6.3 p -65.62 -30.14 49.21 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.234 0 CA-C-O 121.377 0.608 . . . . 0.0 109.897 -179.761 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . 0.658 ' HG3' ' O ' ' A' ' 108' ' ' LEU . 21.7 mt-30 -67.33 -25.44 66.01 Favored 'General case' 0 CA--C 1.521 -0.149 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.034 178.656 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -79.37 -33.16 43.09 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.243 -0.89 . . . . 0.0 110.418 -178.178 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 5.2 m -78.76 -39.29 36.51 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.341 -0.845 . . . . 0.0 112.21 -171.086 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 14.8 p -123.64 -14.21 5.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 120.961 0.41 . . . . 0.0 111.585 -173.305 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -59.41 -28.44 64.74 Favored Glycine 0 C--O 1.229 -0.203 0 C-N-CA 121.123 -0.56 . . . . 0.0 112.833 -177.811 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.44 1.65 50.59 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.794 0.33 . . . . 0.0 111.528 -179.241 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . 0.546 ' HB3' HD23 ' A' ' 76' ' ' LEU . 66.3 m-85 -111.5 -27.28 8.66 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.956 0.407 . . . . 0.0 110.334 178.101 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.478 ' O ' ' HB3' ' B' ' 22' ' ' SER . 35.8 m -89.28 -2.5 9.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 121.368 0.604 . . . . 0.0 110.257 173.272 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.494 0 CA-C-N 115.624 -0.716 . . . . 0.0 112.115 178.458 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.562 0 N-CA-C 112.08 -0.408 . . . . 0.0 112.08 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' -4' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -88.4 91.55 8.84 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 120.869 0.366 . . . . 0.0 110.917 179.17 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' -3' ' ' GLY . . . . . 0.434 ' HA2' ' HB2' ' A' ' -4' ' ' SER . . . 178.31 173.62 43.86 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.527 -0.844 . . . . 0.0 113.04 -179.502 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' -2' ' ' ASN . . . . . . . . . . . . . 46.6 t-20 -150.06 134.24 17.14 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 108.339 -0.986 . . . . 0.0 108.339 179.417 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' -1' ' ' SER . . . . . 0.511 ' HA ' ' CB ' ' A' ' -1' ' ' SER . 50.5 m -77.13 88.08 3.61 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.403 0.621 . . . . 0.0 111.533 -175.073 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 48.9 t -100.73 -52.49 8.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.468 -0.787 . . . . 0.0 109.821 177.09 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 49.6 p 64.2 -55.36 0.25 Allowed 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 125.088 1.355 . . . . 0.0 113.445 178.431 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 18.1 m -81.32 114.37 20.05 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.833 0.349 . . . . 0.0 110.873 -176.045 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -147.85 -179.71 24.07 Favored Glycine 0 N--CA 1.448 -0.528 0 N-CA-C 111.339 -0.704 . . . . 0.0 111.339 179.758 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -76.48 4.66 49.13 Favored Glycine 0 CA--C 1.519 0.286 0 C-N-CA 120.883 -0.675 . . . . 0.0 113.303 -177.226 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 6' ' ' TYR . . . . . . . . . . . . . 35.2 p90 -126.91 10.78 7.06 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.86 0.362 . . . . 0.0 110.825 -179.607 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -147.11 152.16 24.35 Favored Glycine 0 N--CA 1.448 -0.553 0 N-CA-C 111.259 -0.736 . . . . 0.0 111.259 -178.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 8' ' ' TYR . . . . . 0.413 ' HB3' ' O ' ' B' ' 18' ' ' VAL . 96.9 m-85 65.64 -67.81 0.13 Allowed 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 123.339 0.656 . . . . 0.0 111.372 -175.387 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -125.43 81.35 0.36 Allowed Glycine 0 N--CA 1.447 -0.629 0 N-CA-C 111.697 -0.561 . . . . 0.0 111.697 178.592 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 18.2 p -63.65 -56.37 16.28 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.267 0.556 . . . . 0.0 111.094 -179.651 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 13.8 m -138.66 -70.31 0.42 Allowed 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.606 -0.724 . . . . 0.0 109.956 178.082 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -125.52 125.88 43.95 Favored 'General case' 0 N--CA 1.441 -0.901 0 CA-C-N 115.365 -0.834 . . . . 0.0 109.929 -178.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -144.78 140.57 28.56 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.129 -179.054 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -94.62 -32.35 13.45 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.992 -178.199 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 15' ' ' GLY . . . . . 0.517 ' HA3' ' N ' ' B' ' 25' ' ' GLY . . . 170.57 -157.62 28.87 Favored Glycine 0 N--CA 1.445 -0.711 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.088 179.292 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 16' ' ' ALA . . . . . 0.467 ' HA ' ' OE2' ' B' ' 74' ' ' GLU . . . 57.3 74.9 0.4 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.222 0.534 . . . . 0.0 111.47 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 84.92 42.68 7.06 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 120.897 -0.668 . . . . 0.0 112.83 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . 0.565 ' CG2' ' HA ' ' B' ' 23' ' ' TYR . 2.5 m -81.74 -30.57 10.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 121.049 0.452 . . . . 0.0 111.072 175.868 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -140.97 177.24 8.19 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.817 -0.628 . . . . 0.0 109.87 179.736 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.03 -54.23 41.4 Favored 'General case' 0 C--N 1.323 -0.567 0 O-C-N 123.438 0.461 . . . . 0.0 111.16 -179.743 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -128.82 27.83 4.28 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.957 -0.64 . . . . 0.0 111.997 -176.194 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 22' ' ' SER . . . . . 0.478 ' HB3' ' O ' ' A' ' 119' ' ' VAL . 15.4 m -143.43 134.04 25.01 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 115.346 -0.427 . . . . 0.0 110.112 178.612 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 23' ' ' TYR . . . . . 0.565 ' HA ' ' CG2' ' B' ' 18' ' ' VAL . 0.3 OUTLIER -149.22 126.43 11.4 Favored 'General case' 0 N--CA 1.446 -0.646 0 CA-C-O 120.844 0.354 . . . . 0.0 110.595 -176.918 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . 0.459 ' HA ' HG23 ' B' ' 27' ' ' VAL . . . -86.65 -16.21 37.32 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.084 179.16 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . 0.517 ' N ' ' HA3' ' B' ' 15' ' ' GLY . . . -66.19 -24.3 71.87 Favored Glycine 0 C--N 1.33 0.197 0 C-N-CA 120.974 -0.631 . . . . 0.0 112.414 -178.686 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 26' ' ' ALA . . . . . 0.517 ' HB1' ' HB2' ' B' ' 78' ' ' GLN . . . -76.7 -18.7 58.37 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.167 0.508 . . . . 0.0 110.473 177.185 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . 0.537 HG12 ' HG2' ' A' ' 112' ' ' GLN . 1.9 t -93.03 -45.79 13.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.575 -0.738 . . . . 0.0 110.602 -176.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 58.3 m-20 -63.22 -25.15 68.2 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.542 -0.753 . . . . 0.0 111.482 -173.199 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 29' ' ' ARG . . . . . 0.413 ' HD2' ' OE1' ' B' ' 78' ' ' GLN . 17.7 ptp180 -84.17 0.25 49.37 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.417 -176.474 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . 0.543 HD11 ' HB3' ' B' ' 81' ' ' LEU . 85.3 mt -75.64 -21.35 57.79 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.096 0.474 . . . . 0.0 110.809 -179.446 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 38.9 t -80.71 12.82 2.91 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.301 0.572 . . . . 0.0 110.358 179.6 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 60.4 m -100.79 151.05 22.15 Favored 'General case' 0 N--CA 1.437 -1.118 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.144 175.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.18 -19.22 62.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.733 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -52.57 -56.92 11.9 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.489 176.231 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 35' ' ' ALA . . . . . 0.704 ' O ' HG23 ' B' ' 39' ' ' VAL . . . -61.03 -53.33 58.58 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.187 176.732 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -49.79 -31.99 12.93 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.886 -176.286 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 55.9 m -72.9 -28.94 62.77 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.108 -0.497 . . . . 0.0 112.025 -179.215 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 49.3 mtp85 -95.01 -40.66 9.54 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.598 0.714 . . . . 0.0 109.356 -176.569 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . 0.704 HG23 ' O ' ' B' ' 35' ' ' ALA . 15.7 t -63.68 -42.14 95.02 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.777 0 CA-C-N 114.841 -1.072 . . . . 0.0 110.749 -179.54 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 40' ' ' SER . . . . . 0.522 ' O ' HG12 ' B' ' 43' ' ' ILE . 90.4 p -72.58 -12.86 61.23 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-O 120.944 0.402 . . . . 0.0 111.039 -179.074 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 35.1 t -87.63 -11.37 48.69 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.989 0.423 . . . . 0.0 110.308 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 39.0 m-80 -116.66 -4.9 11.64 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.224 -175.073 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 43' ' ' ILE . . . . . 0.532 HG13 ' N ' ' B' ' 44' ' ' ALA . 6.4 pt -59.01 -41.54 83.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 121.019 0.438 . . . . 0.0 110.934 177.129 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . 0.532 ' N ' HG13 ' B' ' 43' ' ' ILE . . . -80.54 -7.27 59.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.108 0.48 . . . . 0.0 110.821 -176.678 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -86.3 -49.53 7.61 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.922 178.301 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 46' ' ' ILE . . . . . 0.481 HG21 ' HB3' ' B' ' 87' ' ' LEU . 39.9 mt -68.86 -34.52 64.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.483 179.291 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . 0.703 ' HB1' HD13 ' A' ' 96' ' ' ILE . . . -66.75 -8.0 25.12 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.721 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 45.4 t -104.63 -47.46 4.06 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.044 -179.1 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -98.27 -15.71 34.64 Favored Glycine 0 C--N 1.331 0.285 0 C-N-CA 120.466 -0.873 . . . . 0.0 113.546 -175.127 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 69.95 -81.37 0.34 Allowed Glycine 0 N--CA 1.45 -0.426 0 N-CA-C 111.761 -0.536 . . . . 0.0 111.761 -179.284 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -109.04 -25.6 10.61 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-O 121.093 0.473 . . . . 0.0 110.477 -179.259 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 25.8 t -73.4 -11.11 60.36 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.374 -178.797 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -89.66 -20.73 23.31 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.684 -179.653 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 54' ' ' LEU . . . . . 0.461 HD11 HG11 ' A' ' 88' ' ' VAL . 45.2 mt -52.06 -56.61 20.25 Favored Pre-proline 0 CA--C 1.534 0.35 0 CA-C-N 115.923 -0.581 . . . . 0.0 112.015 -176.819 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 55' ' ' PRO . . . . . 0.453 ' HD2' ' N ' ' B' ' 54' ' ' LEU . 26.1 Cg_endo -62.67 -18.92 66.46 Favored 'Trans proline' 0 C--N 1.352 0.754 0 C-N-CA 122.042 1.828 . . . . 0.0 112.501 -176.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 40.2 m -92.82 -36.88 12.61 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.116 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 69.8 t -81.5 -41.01 18.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.43 -173.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 58' ' ' ILE . . . . . 0.461 HG12 ' HG ' ' B' ' 83' ' ' LEU . 74.2 mt -58.92 -37.88 69.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.925 -0.579 . . . . 0.0 109.841 176.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 32.9 t -69.36 -40.53 77.41 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.241 179.741 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 -56.54 -42.29 78.25 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 121.318 0.58 . . . . 0.0 110.438 178.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . 0.49 ' O ' HG23 ' B' ' 65' ' ' VAL . 64.2 mt -82.17 -48.03 18.65 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.599 -178.101 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 62' ' ' TYR . . . . . 0.427 ' O ' HG23 ' B' ' 66' ' ' VAL . 47.8 t80 -55.57 -50.84 69.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.589 -0.278 . . . . 0.0 110.977 -175.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 42.2 m -61.09 -28.84 69.37 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.912 179.801 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -73.33 -43.5 38.12 Favored Glycine 0 N--CA 1.447 -0.568 0 C-N-CA 120.947 -0.645 . . . . 0.0 111.664 178.073 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 65' ' ' VAL . . . . . 0.737 HG12 HG11 ' B' ' 70' ' ' VAL . 50.8 t -65.68 -45.61 91.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-O 120.919 0.39 . . . . 0.0 111.025 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 66' ' ' VAL . . . . . 0.427 HG23 ' O ' ' B' ' 62' ' ' TYR . 86.5 t -60.68 -39.97 83.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.945 -179.552 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -70.68 -5.27 28.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.782 179.444 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 23.9 t -86.73 -8.63 57.22 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.942 0.401 . . . . 0.0 110.616 179.347 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 84.18 37.4 11.23 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.675 -0.774 . . . . 0.0 111.847 -178.404 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.737 HG11 HG12 ' B' ' 65' ' ' VAL . 14.4 p -87.08 160.63 2.96 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.797 0 N-CA-C 109.959 -0.386 . . . . 0.0 109.959 178.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 21.3 t -61.4 135.63 57.76 Favored 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 109.049 -0.723 . . . . 0.0 109.049 172.788 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 3.1 p -49.41 -49.12 46.23 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 113.22 0.822 . . . . 0.0 113.22 -172.41 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 73' ' ' ASN . . . . . 0.406 ' HA ' HD22 ' B' ' 73' ' ' ASN . 1.8 t-20 -80.92 -26.79 36.47 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 120.82 -0.352 . . . . 0.0 110.878 -176.339 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 74' ' ' GLU . . . . . 0.467 ' OE2' ' HA ' ' B' ' 16' ' ' ALA . 41.0 tt0 -69.37 -28.61 66.35 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 121.022 0.439 . . . . 0.0 110.204 177.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . 0.43 ' HB2' ' CG1' ' B' ' 70' ' ' VAL . . . -56.59 -40.56 75.46 Favored 'General case' 0 CA--C 1.519 -0.223 0 CA-C-N 115.749 -0.66 . . . . 0.0 111.235 178.291 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 76' ' ' LEU . . . . . 0.513 HD23 ' HB3' ' B' ' 118' ' ' TYR . 2.8 tm? -56.52 -48.29 77.55 Favored 'General case' 0 CA--C 1.518 -0.282 0 CA-C-N 115.912 -0.585 . . . . 0.0 109.868 178.829 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 77' ' ' ILE . . . . . 0.74 ' O ' ' HG ' ' B' ' 81' ' ' LEU . 39.2 mm -61.81 -55.59 23.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.097 -176.43 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 78' ' ' GLN . . . . . 0.517 ' HB2' ' HB1' ' B' ' 26' ' ' ALA . 24.1 tt0 -58.25 -45.73 87.25 Favored 'General case' 0 N--CA 1.464 0.262 0 C-N-CA 120.989 -0.284 . . . . 0.0 111.057 179.285 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -57.85 -40.8 80.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.6 -179.651 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 80' ' ' LEU . . . . . 0.438 ' O ' ' HB3' ' B' ' 83' ' ' LEU . 2.8 mm? -67.93 -49.78 59.89 Favored 'General case' 0 N--CA 1.444 -0.748 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.095 175.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . 0.74 ' HG ' ' O ' ' B' ' 77' ' ' ILE . 73.0 mt -55.84 -42.57 75.98 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.521 0.201 . . . . 0.0 111.311 -176.391 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -64.94 -40.13 94.56 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.994 0.426 . . . . 0.0 110.548 175.291 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 83' ' ' LEU . . . . . 0.461 ' HG ' HG12 ' B' ' 58' ' ' ILE . 3.3 tm? -58.72 -48.37 81.37 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.059 175.297 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 84' ' ' LEU . . . . . 0.451 HD11 HD21 ' A' ' 84' ' ' LEU . 7.8 mp -61.12 -16.12 40.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.834 -179.647 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 40.4 m -93.69 -33.71 13.54 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.983 0.421 . . . . 0.0 111.092 -174.454 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 86' ' ' ALA . . . . . 0.47 ' O ' HG13 ' B' ' 90' ' ' VAL . . . -67.16 -43.22 82.81 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.932 -177.667 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 87' ' ' LEU . . . . . 0.481 ' HB3' HG21 ' B' ' 46' ' ' ILE . 1.1 pp -82.11 -14.12 56.23 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 113.096 0.776 . . . . 0.0 113.096 -171.433 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 88' ' ' VAL . . . . . 0.469 HG11 HD11 ' A' ' 54' ' ' LEU . 16.7 m -94.42 -22.46 5.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 C-N-CA 120.278 -0.569 . . . . 0.0 110.725 176.361 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 89' ' ' HIS . . . . . . . . . . . . . 52.5 t60 -70.96 -34.08 71.08 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 176.657 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 90' ' ' VAL . . . . . 0.47 HG13 ' O ' ' B' ' 86' ' ' ALA . 27.0 m -66.47 -26.56 37.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.545 -175.726 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 91' ' ' LEU . . . . . 0.694 ' HA ' ' HB3' ' B' ' 94' ' ' ALA . 3.4 mm? -65.43 -20.03 66.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.642 -0.254 . . . . 0.0 111.059 -179.547 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 35.2 t -58.27 -33.1 69.03 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.91 0.386 . . . . 0.0 110.562 177.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 12.7 t -119.72 15.85 12.72 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.49 0.662 . . . . 0.0 109.753 -179.38 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 94' ' ' ALA . . . . . 0.694 ' HB3' ' HA ' ' B' ' 91' ' ' LEU . . . -104.47 96.96 6.96 Favored 'General case' 0 N--CA 1.446 -0.65 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.68 178.292 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 45.8 t -73.28 91.43 1.7 Allowed 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 176.692 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 96' ' ' ILE . . . . . 0.688 HD13 ' HB1' ' A' ' 47' ' ' ALA . 19.0 tt -74.28 142.87 14.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.921 -179.216 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 97' ' ' GLY . . . . . . . . . . . . . . . -90.5 -112.06 1.55 Allowed Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.878 -0.677 . . . . 0.0 112.249 179.492 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 98' ' ' ASN . . . . . . . . . . . . . 10.1 t30 -122.43 108.3 13.04 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.882 0.372 . . . . 0.0 110.44 -179.399 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 99' ' ' VAL . . . . . 0.56 ' CG1' HD11 ' B' ' 96' ' ' ILE . 5.4 m -89.34 134.75 27.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-O 121.142 0.496 . . . . 0.0 111.353 -178.258 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 100' ' ' SER . . . . . . . . . . . . . 18.7 p -85.38 142.07 29.55 Favored 'General case' 0 N--CA 1.446 -0.654 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.464 179.594 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 2.9 p -84.43 10.39 10.89 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.457 0.646 . . . . 0.0 110.243 176.5 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 60.8 t -114.64 126.81 72.28 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.68 0 CA-C-N 115.345 -0.843 . . . . 0.0 109.827 -177.337 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . 113.91 -9.45 23.29 Favored Glycine 0 N--CA 1.448 -0.516 0 CA-C-N 115.846 -0.615 . . . . 0.0 112.332 178.81 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 104' ' ' VAL . . . . . . . . . . . . . 15.9 t -61.69 -31.42 50.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.651 0.262 . . . . 0.0 110.342 179.125 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -51.69 -37.91 52.78 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 115.518 -0.765 . . . . 0.0 110.356 177.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 106' ' ' SER . . . . . 0.445 ' O ' ' HB2' ' B' ' 109' ' ' ASN . 17.4 m -83.45 -35.55 24.88 Favored 'General case' 0 N--CA 1.454 -0.225 0 CA-C-N 115.802 -0.636 . . . . 0.0 111.51 -178.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 37.8 m -62.46 -32.61 73.52 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.102 0.477 . . . . 0.0 110.387 178.48 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 108' ' ' LEU . . . . . 0.563 ' O ' ' HG3' ' B' ' 112' ' ' GLN . 3.0 mt -61.48 -23.31 65.81 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.444 -0.798 . . . . 0.0 111.195 176.746 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 109' ' ' ASN . . . . . 0.445 ' HB2' ' O ' ' B' ' 106' ' ' SER . 0.9 OUTLIER -65.83 -33.9 76.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.152 0.501 . . . . 0.0 110.243 176.066 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 110' ' ' VAL . . . . . . . . . . . . . 29.4 t -80.33 -34.12 14.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.968 -175.483 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 111' ' ' VAL . . . . . 0.532 HG12 ' O ' ' B' ' 108' ' ' LEU . 9.6 p -67.26 -26.3 35.84 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.349 0 CA-C-O 121.247 0.546 . . . . 0.0 110.145 -179.181 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 112' ' ' GLN . . . . . 0.563 ' HG3' ' O ' ' B' ' 108' ' ' LEU . 24.8 mt-30 -74.81 -22.31 58.79 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.813 179.412 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 113' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -79.68 -39.44 31.3 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.204 -0.907 . . . . 0.0 110.705 -175.442 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 4.6 p -80.68 -43.21 20.72 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.12 -0.946 . . . . 0.0 112.517 -170.398 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 115' ' ' VAL . . . . . 0.502 HG12 ' O ' ' B' ' 111' ' ' VAL . 10.4 p -105.92 -17.86 7.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-O 121.018 0.437 . . . . 0.0 111.117 -174.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 116' ' ' GLY . . . . . . . . . . . . . . . -62.29 -21.92 62.6 Favored Glycine 0 C--O 1.228 -0.27 0 C-N-CA 121.091 -0.576 . . . . 0.0 112.621 -179.178 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 117' ' ' GLN . . . . . 0.405 HE21 ' HB2' ' B' ' 117' ' ' GLN . 0.0 OUTLIER -86.51 -3.52 59.03 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 111.687 0.254 . . . . 0.0 111.687 -179.231 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 118' ' ' TYR . . . . . 0.513 ' HB3' HD23 ' B' ' 76' ' ' LEU . 77.3 m-85 -111.98 -28.13 8.14 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.926 0.394 . . . . 0.0 110.874 178.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 119' ' ' VAL . . . . . . . . . . . . . 34.2 m -89.45 -5.23 10.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.83 176.592 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.878 -0.957 . . . . 0.0 111.545 179.403 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.927 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 10.6 m -67.74 136.16 53.82 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.762 0.315 . . . . 0.0 110.815 -178.636 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . 177.71 167.99 36.67 Favored Glycine 0 N--CA 1.447 -0.587 0 C-N-CA 120.947 -0.644 . . . . 0.0 111.987 179.115 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' -2' ' ' ASN . . . . . 0.432 ' OD1' HG21 ' B' ' 1' ' ' VAL . 8.4 p30 -98.64 151.39 20.76 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.592 -0.522 . . . . 0.0 109.592 179.345 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 8.7 t -147.51 96.08 2.63 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 120.987 0.422 . . . . 0.0 110.493 179.631 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 32.6 m -86.6 -31.39 6.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.969 -0.559 . . . . 0.0 109.91 175.238 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 17.6 p -147.68 152.72 38.3 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.508 178.749 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.2 t -99.06 113.37 25.54 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 178.092 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -107.97 -173.06 21.91 Favored Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.307 -178.292 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -93.87 24.16 27.63 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.989 -0.624 . . . . 0.0 112.239 178.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 25.6 p90 -147.0 -175.09 4.68 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.998 -0.371 . . . . 0.0 109.998 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 86.83 -64.01 3.98 Favored Glycine 0 N--CA 1.447 -0.609 0 C-N-CA 120.9 -0.667 . . . . 0.0 112.056 -178.316 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 27.4 t80 -84.13 -53.05 5.79 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-O 120.921 0.391 . . . . 0.0 110.89 -179.397 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -131.72 85.63 0.29 Allowed Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.955 -0.64 . . . . 0.0 112.04 -179.622 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 82.0 p -87.0 -19.72 28.29 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.084 0.468 . . . . 0.0 110.986 -177.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 16.2 m -132.48 150.08 52.22 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.092 -179.029 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -80.07 101.07 8.5 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.22 0.533 . . . . 0.0 111.04 -179.593 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -101.34 -170.07 1.78 Allowed 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.547 -0.751 . . . . 0.0 109.149 173.271 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.37 -84.34 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 120.934 -0.306 . . . . 0.0 111.7 -178.486 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.714 ' HA3' ' H ' ' A' ' 25' ' ' GLY . . . -160.87 -160.88 11.02 Favored Glycine 0 N--CA 1.443 -0.869 0 C-N-CA 119.376 -1.393 . . . . 0.0 113.749 -175.071 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 63.95 64.69 0.74 Allowed 'General case' 0 C--O 1.234 0.257 0 O-C-N 124.303 0.649 . . . . 0.0 111.206 179.21 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 89.54 26.89 23.96 Favored Glycine 0 CA--C 1.52 0.38 0 CA-C-N 115.57 -0.741 . . . . 0.0 113.34 178.686 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.433 HG23 ' O ' ' A' ' 22' ' ' SER . 3.0 m -76.25 -44.11 36.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 117.056 0.428 . . . . 0.0 111.55 179.434 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -136.8 174.42 10.64 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.56 -0.291 . . . . 0.0 110.786 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -93.48 36.99 1.06 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.377 178.257 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.478 ' CA ' ' HA3' ' B' ' 21' ' ' GLY . . . 178.37 -37.92 0.08 OUTLIER Glycine 0 N--CA 1.447 -0.581 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.692 -177.738 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.457 ' HB3' ' O ' ' B' ' 119' ' ' VAL . 37.8 m -109.36 136.18 49.21 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.404 0.145 . . . . 0.0 111.171 -179.215 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.447 ' OH ' ' HB3' ' A' ' 73' ' ' ASN . 0.0 OUTLIER -157.64 131.79 8.22 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.739 177.412 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -89.77 -11.27 42.68 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 121.169 0.509 . . . . 0.0 110.058 174.624 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.714 ' H ' ' HA3' ' A' ' 15' ' ' GLY . . . -67.2 -31.1 76.56 Favored Glycine 0 CA--C 1.507 -0.453 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.841 -176.784 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -69.71 -15.85 63.23 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.26 0.552 . . . . 0.0 110.165 176.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.589 ' CG1' ' HA ' ' B' ' 112' ' ' GLN . 3.9 t -92.18 -43.23 13.84 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.733 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.385 -176.097 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 45.4 m-80 -62.08 -33.89 75.26 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 121.082 0.468 . . . . 0.0 110.362 -179.294 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 35.7 ttp180 -66.99 -12.91 61.21 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-N 115.258 -0.883 . . . . 0.0 112.192 -178.316 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.658 HD11 ' HB3' ' A' ' 81' ' ' LEU . 90.8 mt -69.45 -24.85 63.86 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.007 0.373 . . . . 0.0 112.007 -177.603 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 24.1 p -69.82 -13.35 62.22 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.436 -174.116 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 42.1 t -71.75 150.31 44.57 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.187 -0.46 . . . . 0.0 109.951 178.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.68 -12.0 41.76 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.92 0.39 . . . . 0.0 111.238 -178.664 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -61.1 -56.08 25.08 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.357 178.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.526 ' O ' HG23 ' A' ' 39' ' ' VAL . . . -57.98 -46.95 84.37 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.654 175.052 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -56.42 -19.11 13.46 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.034 -0.53 . . . . 0.0 112.059 -178.697 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 40.0 m -95.44 -23.84 16.95 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.521 -0.309 . . . . 0.0 111.783 179.46 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.557 ' NH1' ' HA ' ' A' ' 61' ' ' ILE . 8.4 mtp180 -91.52 -43.14 9.86 Favored 'General case' 0 CA--C 1.516 -0.335 0 CA-C-O 121.591 0.71 . . . . 0.0 109.483 -179.133 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.526 HG21 HD11 ' B' ' 108' ' ' LEU . 61.4 t -60.4 -40.41 84.01 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.86 0 CA-C-N 114.434 -1.257 . . . . 0.0 110.42 177.88 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 78.7 p -76.46 -8.12 56.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.1 -179.21 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 48.1 t -91.78 -8.05 47.84 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.208 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 46.2 m-80 -122.2 -4.66 8.94 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.269 -177.277 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.502 HG13 ' N ' ' A' ' 44' ' ' ALA . 5.0 pt -58.2 -42.56 83.71 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.133 0 CA-C-O 120.839 0.352 . . . . 0.0 111.229 179.349 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.502 ' N ' HG13 ' A' ' 43' ' ' ILE . . . -75.41 -15.7 60.42 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.097 0.475 . . . . 0.0 111.181 -175.652 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -80.47 -52.56 7.5 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.285 -178.8 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.453 HG21 ' HB3' ' A' ' 87' ' ' LEU . 33.4 mt -65.95 -34.24 68.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.441 -179.831 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.766 ' HB1' HD13 ' B' ' 96' ' ' ILE . . . -61.01 -26.21 67.44 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.201 179.243 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 38.6 m -95.87 -42.2 8.44 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.42 -176.582 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -91.05 -21.09 36.84 Favored Glycine 0 CA--C 1.518 0.276 0 C-N-CA 120.62 -0.8 . . . . 0.0 113.422 -175.359 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 73.68 -77.01 0.95 Allowed Glycine 0 N--CA 1.451 -0.356 0 N-CA-C 111.667 -0.573 . . . . 0.0 111.667 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -120.99 -22.84 6.02 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-O 121.019 0.437 . . . . 0.0 110.536 179.449 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 9.0 t -72.73 -13.81 61.42 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.274 0.559 . . . . 0.0 110.122 -177.64 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -88.31 -17.18 31.21 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.83 -179.263 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.45 ' N ' ' HD2' ' A' ' 55' ' ' PRO . 43.7 mt -54.92 -57.55 18.89 Favored Pre-proline 0 C--N 1.327 -0.397 0 CA-C-N 116.027 -0.533 . . . . 0.0 112.097 -175.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.45 ' HD2' ' N ' ' A' ' 54' ' ' LEU . 17.0 Cg_endo -59.04 -24.29 72.8 Favored 'Trans proline' 0 C--N 1.35 0.628 0 C-N-CA 122.21 1.94 . . . . 0.0 112.519 -177.193 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 24.9 m -88.78 -39.8 13.66 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.984 0.421 . . . . 0.0 110.915 -179.456 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 59.2 t -76.44 -37.8 31.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 121.098 0.475 . . . . 0.0 110.144 -175.526 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.471 HG12 HD22 ' A' ' 83' ' ' LEU . 64.9 mt -57.6 -43.39 83.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.925 174.829 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 22.6 t -68.02 -38.17 82.26 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.2 -0.454 . . . . 0.0 109.969 -178.582 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -59.81 -49.17 78.76 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.813 179.191 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.557 ' HA ' ' NH1' ' A' ' 38' ' ' ARG . 50.6 mt -74.78 -47.26 38.69 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.175 -178.17 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.451 ' O ' HG23 ' A' ' 66' ' ' VAL . 43.4 t80 -53.5 -53.6 49.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.982 -178.703 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 42.7 t -59.87 -32.13 70.42 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.971 0.415 . . . . 0.0 110.75 -179.695 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.526 ' HA3' ' NH1' ' A' ' 38' ' ' ARG . . . -66.52 -40.22 94.2 Favored Glycine 0 C--N 1.329 0.191 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.004 -179.398 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.754 HG12 HG11 ' A' ' 70' ' ' VAL . 18.6 t -78.4 -42.4 26.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-O 120.819 0.343 . . . . 0.0 111.044 -178.841 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.451 HG23 ' O ' ' A' ' 62' ' ' TYR . 94.5 t -60.1 -37.1 71.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.046 -179.161 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -70.88 -5.72 32.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.51 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 11.9 t -90.0 -11.96 40.04 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.6 -0.273 . . . . 0.0 110.537 179.237 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 96.61 30.28 7.74 Favored Glycine 0 C--N 1.331 0.265 0 C-N-CA 120.624 -0.798 . . . . 0.0 112.847 178.141 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.754 HG11 HG12 ' A' ' 65' ' ' VAL . 11.6 p -91.13 159.25 2.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 N-CA-C 110.221 -0.289 . . . . 0.0 110.221 178.182 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 27.1 t -66.77 147.16 53.62 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 110.105 -0.332 . . . . 0.0 110.105 175.302 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 6.4 p -58.62 -44.69 90.07 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 112.43 0.53 . . . . 0.0 112.43 -173.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.447 ' HB3' ' OH ' ' A' ' 23' ' ' TYR . 0.2 OUTLIER -73.14 -35.92 66.58 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.881 -0.328 . . . . 0.0 110.428 -176.231 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -70.52 -34.1 71.92 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 176.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.548 ' HB2' HG13 ' A' ' 70' ' ' VAL . . . -58.94 -40.2 83.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.635 175.589 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.491 HD23 ' HB3' ' A' ' 118' ' ' TYR . 2.7 tm? -56.75 -54.23 48.6 Favored 'General case' 0 CA--C 1.517 -0.298 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 176.202 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.757 ' O ' ' HG ' ' A' ' 81' ' ' LEU . 39.5 mm -58.49 -56.97 13.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 115.461 -0.79 . . . . 0.0 110.714 -178.738 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . 0.545 ' HG2' HG11 ' A' ' 65' ' ' VAL . 24.6 tp60 -51.94 -48.9 64.06 Favored 'General case' 0 N--CA 1.467 0.391 0 O-C-N 123.249 0.343 . . . . 0.0 111.366 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.92 -40.13 96.67 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.061 -178.755 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.541 ' O ' HD23 ' A' ' 84' ' ' LEU . 3.6 mm? -67.93 -37.59 81.83 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.971 178.531 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.757 ' HG ' ' O ' ' A' ' 77' ' ' ILE . 59.5 mt -63.52 -46.19 87.16 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.845 0.355 . . . . 0.0 110.357 178.779 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -61.15 -42.71 99.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.569 176.315 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.533 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 57.5 tp -59.2 -46.41 88.51 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.95 177.535 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.725 HD21 HD21 ' B' ' 84' ' ' LEU . 3.7 mm? -69.4 -1.42 8.33 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.719 -178.023 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 20.3 m -102.78 -27.93 12.39 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.019 0.438 . . . . 0.0 110.403 176.757 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -75.48 -46.42 32.54 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.16 0.505 . . . . 0.0 110.672 -176.691 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.533 ' HG ' ' O ' ' A' ' 83' ' ' LEU . 1.0 OUTLIER -78.7 -13.97 59.54 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.585 -0.734 . . . . 0.0 112.849 -172.319 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.481 HG13 HD12 ' A' ' 87' ' ' LEU . 17.4 m -94.78 -27.47 4.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 C-N-CA 120.547 -0.461 . . . . 0.0 110.795 177.049 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 70.0 t60 -65.83 -34.46 78.2 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 178.737 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 33.1 m -65.16 -26.82 40.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.111 -175.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.562 ' HA ' ' HB3' ' A' ' 94' ' ' ALA . 3.9 mm? -67.05 -21.25 65.91 Favored 'General case' 0 N--CA 1.462 0.147 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.273 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 34.9 t -71.03 -17.8 62.6 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.826 0.346 . . . . 0.0 111.049 -179.792 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.646 ' HB2' HG12 ' B' ' 99' ' ' VAL . 73.5 m -119.33 -9.88 9.82 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.624 0.725 . . . . 0.0 110.454 178.496 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.562 ' HB3' ' HA ' ' A' ' 91' ' ' LEU . . . -88.46 104.12 16.51 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.114 -0.948 . . . . 0.0 111.27 -179.666 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 12.2 t -75.16 87.99 2.45 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.457 -0.571 . . . . 0.0 109.457 176.188 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.725 HD13 ' HB1' ' B' ' 47' ' ' ALA . 20.8 tt -70.41 145.18 13.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.339 -177.864 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -94.12 -99.06 1.6 Allowed Glycine 0 N--CA 1.446 -0.656 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.204 179.301 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -133.12 111.6 11.07 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.844 0.354 . . . . 0.0 111.077 -177.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.57 ' CG1' HD11 ' A' ' 96' ' ' ILE . 13.1 m -93.18 153.66 3.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.438 177.129 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 48.5 m -129.75 147.96 51.58 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.644 -178.475 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . 0.477 ' HB3' ' HB2' ' B' ' 40' ' ' SER . 21.3 m -74.63 -6.29 47.84 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.737 -177.06 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 60.7 t -88.11 108.79 18.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.791 -176.409 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 124.44 -11.75 8.0 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.852 -0.689 . . . . 0.0 112.888 176.602 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 46.9 t -59.83 -29.28 42.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.431 0.158 . . . . 0.0 111.185 -178.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -48.8 -46.48 41.76 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-O 121.404 0.621 . . . . 0.0 110.507 178.464 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 15.5 m -70.42 -25.33 63.17 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.452 -0.795 . . . . 0.0 111.523 -177.131 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 20.3 m -72.56 -35.71 68.05 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.874 0.369 . . . . 0.0 110.172 -178.14 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.576 ' O ' HG12 ' A' ' 111' ' ' VAL . 4.4 mm? -58.53 -37.82 76.45 Favored 'General case' 0 C--O 1.224 -0.28 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.371 175.529 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 16.1 m-80 -67.34 -21.46 65.64 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.68 -177.365 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 26.2 t -91.99 -37.56 9.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.187 -178.03 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.576 HG12 ' O ' ' A' ' 108' ' ' LEU . 7.9 p -61.04 -28.93 44.69 Favored 'Isoleucine or valine' 0 C--O 1.233 0.216 0 CA-C-O 121.256 0.551 . . . . 0.0 110.168 -179.827 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . 0.543 ' HG3' ' O ' ' A' ' 108' ' ' LEU . 24.1 mt-30 -64.47 -25.44 68.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.699 179.237 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -81.3 -38.65 26.45 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.419 -0.809 . . . . 0.0 110.263 -178.042 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . 0.417 ' OG ' ' HD3' ' A' ' 55' ' ' PRO . 6.6 m -73.64 -43.38 59.68 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.172 -0.922 . . . . 0.0 112.107 -172.49 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.431 HG12 ' O ' ' A' ' 111' ' ' VAL . 10.8 p -117.52 -19.09 6.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 N-CA-C 112.114 0.413 . . . . 0.0 112.114 -172.166 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -61.64 -22.3 61.6 Favored Glycine 0 C--O 1.23 -0.152 0 C-N-CA 120.93 -0.653 . . . . 0.0 112.692 -177.523 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.34 4.41 52.46 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.547 0.213 . . . . 0.0 111.219 -179.53 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . 0.491 ' HB3' HD23 ' A' ' 76' ' ' LEU . 90.4 m-85 -113.0 -26.54 8.45 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.896 0.379 . . . . 0.0 110.229 177.74 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 35.2 m -89.14 -0.52 8.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.67 176.017 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.488 0 CA-C-N 115.746 -0.661 . . . . 0.0 112.018 179.734 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 N-CA-C 112.153 -0.379 . . . . 0.0 112.153 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' -4' ' ' SER . . . . . . . . . . . . . 60.8 p -150.46 174.07 13.33 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 110.136 -0.32 . . . . 0.0 110.136 178.73 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' -3' ' ' GLY . . . . . . . . . . . . . . . 117.92 -133.11 10.24 Favored Glycine 0 N--CA 1.445 -0.744 0 C-N-CA 120.686 -0.769 . . . . 0.0 111.838 -179.32 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' -2' ' ' ASN . . . . . . . . . . . . . 10.0 p30 -146.09 154.38 41.77 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 110.329 -0.249 . . . . 0.0 110.329 179.444 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' -1' ' ' SER . . . . . . . . . . . . . 22.8 t -150.24 168.9 22.66 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.003 -0.74 . . . . 0.0 109.003 176.283 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 1' ' ' VAL . . . . . 0.432 HG21 ' OD1' ' A' ' -2' ' ' ASN . 5.7 m -140.69 -43.11 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-O 120.874 0.369 . . . . 0.0 111.395 -176.327 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 12.9 p -126.29 -176.11 3.56 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.853 0.358 . . . . 0.0 111.163 -175.168 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 23.3 t -142.03 131.79 24.21 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 179.254 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -166.36 -165.8 24.34 Favored Glycine 0 N--CA 1.445 -0.749 0 C-N-CA 121.196 -0.526 . . . . 0.0 111.891 -179.089 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -69.18 -65.63 2.54 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 121.102 -0.57 . . . . 0.0 112.007 -179.578 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 6' ' ' TYR . . . . . . . . . . . . . 52.1 p90 -67.16 129.93 41.49 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-O 121.262 0.553 . . . . 0.0 109.927 177.344 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . 141.51 -44.25 1.03 Allowed Glycine 0 N--CA 1.446 -0.644 0 N-CA-C 110.762 -0.935 . . . . 0.0 110.762 -175.573 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 60.4 m-85 -88.71 -62.94 1.38 Allowed 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 108.477 -0.935 . . . . 0.0 108.477 170.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -130.13 91.17 0.3 Allowed Glycine 0 N--CA 1.44 -1.077 0 N-CA-C 110.323 -1.111 . . . . 0.0 110.323 175.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 72.1 p -59.86 -41.15 90.87 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.379 0.609 . . . . 0.0 110.608 -176.822 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 19.6 m -103.2 141.71 35.41 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.117 -0.947 . . . . 0.0 109.108 172.546 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -67.45 111.31 4.02 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.912 0.387 . . . . 0.0 110.876 -179.412 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -102.4 -166.94 1.34 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.101 -177.838 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.88 -20.95 66.41 Favored 'General case' 0 N--CA 1.461 0.12 0 CA-C-N 116.186 -0.461 . . . . 0.0 112.071 -177.205 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 15' ' ' GLY . . . . . 0.623 ' HA3' ' H ' ' B' ' 25' ' ' GLY . . . 127.39 -157.61 20.88 Favored Glycine 0 N--CA 1.445 -0.733 0 C-N-CA 120.181 -1.009 . . . . 0.0 112.802 176.673 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . 64.47 90.92 0.08 Allowed 'General case' 0 N--CA 1.463 0.206 0 O-C-N 124.263 0.625 . . . . 0.0 111.149 -178.623 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 59.99 49.92 73.35 Favored Glycine 0 CA--C 1.518 0.26 0 CA-C-N 115.79 -0.641 . . . . 0.0 112.996 -178.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . 0.41 HG23 ' O ' ' B' ' 22' ' ' SER . 2.3 m -96.88 -33.46 4.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 N-CA-C 111.972 0.36 . . . . 0.0 111.972 179.777 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -138.59 -170.6 2.87 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.495 0.188 . . . . 0.0 110.73 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -99.33 -7.1 26.76 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.67 0.271 . . . . 0.0 111.276 179.655 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . 0.478 ' HA3' ' CA ' ' A' ' 21' ' ' GLY . . . -157.77 25.26 0.43 Allowed Glycine 0 CA--C 1.509 -0.33 0 C-N-CA 120.568 -0.825 . . . . 0.0 112.105 176.363 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 22' ' ' SER . . . . . 0.41 ' O ' HG23 ' B' ' 18' ' ' VAL . 26.5 m -151.54 122.93 7.82 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.758 -0.221 . . . . 0.0 110.679 179.724 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 23' ' ' TYR . . . . . 0.446 ' CE1' ' HA ' ' B' ' 74' ' ' GLU . 0.2 OUTLIER -151.93 117.88 5.49 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.025 177.475 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -74.5 -27.11 60.41 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-O 121.226 0.536 . . . . 0.0 110.621 177.316 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . 0.623 ' H ' ' HA3' ' B' ' 15' ' ' GLY . . . -62.75 -28.88 72.38 Favored Glycine 0 N--CA 1.452 -0.287 0 CA-C-N 115.832 -0.622 . . . . 0.0 112.24 -179.11 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -76.05 -8.31 56.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.438 0.637 . . . . 0.0 110.346 178.163 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . 0.506 HG12 ' HG2' ' A' ' 112' ' ' GLN . 3.5 t -97.54 -42.86 11.92 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.076 178.887 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 28' ' ' ASN . . . . . 0.41 HD22 ' HA2' ' B' ' 25' ' ' GLY . 57.9 m-80 -60.93 -35.24 76.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.824 0.345 . . . . 0.0 110.843 -179.169 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 25.2 ttp180 -66.4 -14.67 62.47 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 116.04 -0.527 . . . . 0.0 112.165 -177.652 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . 0.631 HD11 ' HB3' ' B' ' 81' ' ' LEU . 91.5 mt -64.71 -25.5 67.97 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.917 -178.388 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 43.9 p -75.68 4.79 7.13 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.198 -177.442 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 47.0 t -94.65 166.11 12.18 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.365 178.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.32 -21.88 66.76 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.694 178.664 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -49.72 -58.89 4.44 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.784 179.046 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 35' ' ' ALA . . . . . 0.641 ' O ' HG23 ' B' ' 39' ' ' VAL . . . -65.69 -58.79 4.86 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.342 -0.845 . . . . 0.0 110.756 179.684 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -47.97 -36.01 11.82 Favored 'General case' 0 N--CA 1.464 0.268 0 N-CA-C 112.568 0.581 . . . . 0.0 112.568 -173.237 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 50.7 m -70.74 -30.41 66.93 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 112.359 0.504 . . . . 0.0 112.359 -178.465 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -93.02 -40.62 10.43 Favored 'General case' 0 CA--C 1.513 -0.478 0 CA-C-O 121.694 0.759 . . . . 0.0 109.7 -176.222 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . 0.641 HG23 ' O ' ' B' ' 35' ' ' ALA . 40.2 t -58.36 -45.38 89.56 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.919 0 CA-C-N 114.569 -1.196 . . . . 0.0 110.705 178.368 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 40' ' ' SER . . . . . 0.477 ' HB2' ' HB3' ' A' ' 101' ' ' SER . 89.0 p -77.72 -5.98 52.43 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.476 -177.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 34.3 t -90.1 -19.48 24.27 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.173 0.511 . . . . 0.0 109.983 179.69 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 38.0 m-80 -113.77 -0.3 14.28 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.093 -174.175 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 43' ' ' ILE . . . . . 0.459 HG23 ' O ' ' B' ' 39' ' ' VAL . 3.7 pt -59.76 -41.93 87.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.02 178.261 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . 0.455 ' N ' HG13 ' B' ' 43' ' ' ILE . . . -76.91 -11.63 59.84 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.865 0.364 . . . . 0.0 111.014 -176.249 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -83.26 -52.81 6.25 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.091 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 41.7 mt -64.98 -36.44 77.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.4 -179.495 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . 0.725 ' HB1' HD13 ' A' ' 96' ' ' ILE . . . -62.51 -24.93 67.75 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.49 -179.784 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 37.0 m -100.61 -9.96 21.42 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.67 -175.589 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -120.6 -29.18 1.61 Allowed Glycine 0 N--CA 1.453 -0.199 0 C-N-CA 120.339 -0.934 . . . . 0.0 113.08 -176.461 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 81.71 -78.33 1.96 Allowed Glycine 0 N--CA 1.447 -0.608 0 N-CA-C 111.41 -0.676 . . . . 0.0 111.41 -179.064 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -124.21 -20.09 5.37 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 121.099 0.476 . . . . 0.0 110.879 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 23.0 t -69.68 -18.89 63.59 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.476 -178.79 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -88.85 -15.7 33.84 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.94 -177.522 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 54' ' ' LEU . . . . . 0.469 HD11 HG11 ' A' ' 88' ' ' VAL . 43.4 mt -54.76 -58.18 15.63 Favored Pre-proline 0 CA--C 1.536 0.414 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.928 -176.004 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 55' ' ' PRO . . . . . 0.43 ' HD2' ' N ' ' B' ' 54' ' ' LEU . 19.6 Cg_endo -60.16 -25.96 81.29 Favored 'Trans proline' 0 C--N 1.354 0.857 0 C-N-CA 122.191 1.928 . . . . 0.0 112.304 -177.679 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 22.4 m -82.2 -42.09 19.45 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.914 -179.348 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 79.1 t -77.19 -38.55 27.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.257 -173.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 58' ' ' ILE . . . . . 0.512 HG12 HD22 ' B' ' 83' ' ' LEU . 67.7 mt -58.65 -41.31 81.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.053 175.113 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 15.6 t -66.59 -35.6 80.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.255 -178.205 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -65.72 -49.95 66.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.767 179.281 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . 0.481 ' O ' HG23 ' B' ' 65' ' ' VAL . 62.6 mt -73.48 -47.28 46.09 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.707 -176.281 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 62' ' ' TYR . . . . . 0.536 ' O ' HG23 ' B' ' 66' ' ' VAL . 36.8 t80 -54.62 -54.69 38.21 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.609 -0.269 . . . . 0.0 111.26 -177.565 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 5.2 t -63.66 -29.95 71.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.049 0.452 . . . . 0.0 110.094 -177.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -66.65 -41.81 93.71 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.939 -0.648 . . . . 0.0 111.791 178.182 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 65' ' ' VAL . . . . . 0.661 HG12 HG11 ' B' ' 70' ' ' VAL . 45.2 t -70.35 -41.42 78.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-O 120.776 0.322 . . . . 0.0 110.751 178.805 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 66' ' ' VAL . . . . . 0.536 HG23 ' O ' ' B' ' 62' ' ' TYR . 89.4 t -60.5 -37.36 74.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.799 -179.806 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -66.92 -12.64 60.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.124 -0.489 . . . . 0.0 112.039 179.346 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 48.4 t -78.92 -17.33 55.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.094 0.473 . . . . 0.0 110.346 178.301 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 92.71 38.25 5.57 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.627 -0.797 . . . . 0.0 111.699 -177.673 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.661 HG11 HG12 ' B' ' 65' ' ' VAL . 13.7 p -91.23 163.39 2.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 N-CA-C 110.036 -0.357 . . . . 0.0 110.036 178.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 71' ' ' SER . . . . . 0.4 ' N ' HG22 ' B' ' 70' ' ' VAL . 38.1 t -61.69 136.74 58.12 Favored 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 109.079 -0.712 . . . . 0.0 109.079 172.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 19.3 m -55.5 -41.85 73.64 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 112.59 0.589 . . . . 0.0 112.59 -173.068 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -85.1 -23.38 28.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.936 0.398 . . . . 0.0 110.385 -176.852 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 74' ' ' GLU . . . . . 0.446 ' HA ' ' CE1' ' B' ' 23' ' ' TYR . 34.3 tt0 -72.5 -30.56 64.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.128 0.49 . . . . 0.0 109.927 176.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . 0.406 ' HB2' ' CG1' ' B' ' 70' ' ' VAL . . . -59.94 -32.52 70.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.471 -0.786 . . . . 0.0 111.264 178.752 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 76' ' ' LEU . . . . . 0.544 HD23 ' HB3' ' B' ' 118' ' ' TYR . 2.8 tm? -57.42 -53.78 54.31 Favored 'General case' 0 CA--C 1.517 -0.298 0 N-CA-C 109.684 -0.487 . . . . 0.0 109.684 177.54 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 77' ' ' ILE . . . . . 0.754 ' O ' ' HG ' ' B' ' 81' ' ' LEU . 37.7 mm -62.15 -54.47 33.96 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.905 -178.215 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 78' ' ' GLN . . . . . 0.43 ' HG2' HG11 ' B' ' 65' ' ' VAL . 33.6 tp60 -52.5 -49.71 64.22 Favored 'General case' 0 C--N 1.33 -0.259 0 O-C-N 123.193 0.308 . . . . 0.0 111.1 179.401 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.65 -40.15 94.94 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.917 -178.517 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 80' ' ' LEU . . . . . 0.569 ' O ' HD23 ' B' ' 84' ' ' LEU . 2.0 mm? -62.4 -45.64 92.23 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.65 177.413 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . 0.754 ' HG ' ' O ' ' B' ' 77' ' ' ILE . 55.4 mt -62.43 -39.31 92.89 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.82 0.343 . . . . 0.0 110.767 -178.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -62.69 -44.62 95.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.936 0.398 . . . . 0.0 110.26 174.753 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 83' ' ' LEU . . . . . 0.512 HD22 HG12 ' B' ' 58' ' ' ILE . 43.9 tp -61.04 -44.69 97.02 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.21 177.298 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 84' ' ' LEU . . . . . 0.725 HD21 HD21 ' A' ' 84' ' ' LEU . 3.9 mm? -60.27 -13.88 15.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.617 -0.72 . . . . 0.0 111.752 -178.8 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 85' ' ' SER . . . . . 0.424 ' OG ' HD13 ' A' ' 108' ' ' LEU . 20.4 m -98.52 -27.17 14.16 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.786 0.327 . . . . 0.0 111.075 -177.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -73.19 -44.03 60.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.318 0.58 . . . . 0.0 110.625 -176.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 87' ' ' LEU . . . . . 0.477 ' HG ' ' O ' ' B' ' 83' ' ' LEU . 1.0 OUTLIER -80.6 -14.25 58.35 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.409 -0.814 . . . . 0.0 112.689 -172.754 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 88' ' ' VAL . . . . . 0.448 HG11 HD11 ' A' ' 54' ' ' LEU . 16.0 m -93.46 -26.3 4.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 C-N-CA 120.554 -0.458 . . . . 0.0 110.895 176.86 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 89' ' ' HIS . . . . . . . . . . . . . 46.8 t60 -68.07 -34.69 76.89 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.069 0.461 . . . . 0.0 109.891 179.34 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 90' ' ' VAL . . . . . . . . . . . . . 33.5 m -65.48 -25.96 38.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.44 -176.438 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 91' ' ' LEU . . . . . 0.628 ' HA ' ' HB3' ' B' ' 94' ' ' ALA . 3.8 mm? -65.95 -24.51 66.82 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.622 -0.263 . . . . 0.0 111.232 -179.269 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 11.0 t -62.63 -30.54 71.43 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.086 0.469 . . . . 0.0 110.365 179.804 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . 0.516 ' HB2' HG12 ' A' ' 99' ' ' VAL . 20.4 m -112.63 9.49 19.34 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.294 0.568 . . . . 0.0 110.394 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 94' ' ' ALA . . . . . 0.628 ' HB3' ' HA ' ' B' ' 91' ' ' LEU . . . -107.15 93.58 4.63 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.592 179.822 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 16.8 m -70.01 84.04 0.51 Allowed 'General case' 0 N--CA 1.429 -1.505 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.502 177.322 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 96' ' ' ILE . . . . . 0.766 HD13 ' HB1' ' A' ' 47' ' ' ALA . 20.1 tt -67.91 145.24 13.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.496 -0.775 . . . . 0.0 111.462 -176.749 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 97' ' ' GLY . . . . . . . . . . . . . . . -97.31 -108.64 2.62 Favored Glycine 0 N--CA 1.444 -0.799 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.15 178.184 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 98' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -115.51 115.19 26.08 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.678 0.275 . . . . 0.0 110.421 -176.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 99' ' ' VAL . . . . . 0.646 HG12 ' HB2' ' A' ' 93' ' ' SER . 3.0 m -103.65 115.37 45.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-O 121.139 0.495 . . . . 0.0 110.648 176.313 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 100' ' ' SER . . . . . . . . . . . . . 19.7 m -84.69 149.42 25.81 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.96 178.283 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 23.0 m -79.37 21.85 0.46 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.935 0.397 . . . . 0.0 111.336 -178.498 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 48.7 t -117.22 119.93 63.42 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.465 0 CA-C-O 120.973 0.416 . . . . 0.0 110.614 -176.136 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . 119.52 -12.61 11.07 Favored Glycine 0 N--CA 1.446 -0.666 0 CA-C-N 115.79 -0.641 . . . . 0.0 112.074 179.122 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 104' ' ' VAL . . . . . . . . . . . . . 26.4 t -60.44 -30.39 46.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 120.585 0.231 . . . . 0.0 110.716 -179.412 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -50.26 -42.07 51.44 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.704 179.534 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 8.8 m -72.07 -28.01 63.05 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 115.476 -0.784 . . . . 0.0 111.097 -178.561 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 18.1 m -73.33 -33.63 65.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.114 -176.309 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 108' ' ' LEU . . . . . 0.614 ' O ' ' HG3' ' B' ' 112' ' ' GLN . 4.2 mm? -58.84 -31.06 68.17 Favored 'General case' 0 C--O 1.223 -0.312 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.208 175.062 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 109' ' ' ASN . . . . . 0.493 ' N ' HD22 ' B' ' 109' ' ' ASN . 0.8 OUTLIER -72.49 -23.36 61.02 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.602 -178.474 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 110' ' ' VAL . . . . . . . . . . . . . 17.6 t -86.28 -38.73 12.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.868 -177.032 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 111' ' ' VAL . . . . . 0.528 HG12 ' O ' ' B' ' 108' ' ' LEU . 10.1 p -61.78 -33.27 56.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 121.052 0.453 . . . . 0.0 110.096 179.636 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 112' ' ' GLN . . . . . 0.614 ' HG3' ' O ' ' B' ' 108' ' ' LEU . 23.3 mt-30 -64.33 -30.08 71.14 Favored 'General case' 0 CA--C 1.517 -0.303 0 CA-C-O 121.538 0.685 . . . . 0.0 110.239 179.17 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 113' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -79.18 -33.62 43.81 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 114.898 -1.046 . . . . 0.0 110.323 -177.329 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 114' ' ' SER . . . . . 0.425 ' OG ' ' HD3' ' B' ' 55' ' ' PRO . 11.5 m -79.97 -42.42 23.98 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 114.833 -1.076 . . . . 0.0 111.828 -171.641 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 115' ' ' VAL . . . . . 0.48 HG12 ' O ' ' B' ' 111' ' ' VAL . 14.5 p -118.82 -15.17 8.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 N-CA-C 112.109 0.411 . . . . 0.0 112.109 -172.007 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 116' ' ' GLY . . . . . . . . . . . . . . . -64.27 -18.01 62.36 Favored Glycine 0 C--O 1.229 -0.183 0 C-N-CA 120.846 -0.692 . . . . 0.0 113.355 -175.704 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -94.12 -3.81 50.39 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.762 0.315 . . . . 0.0 111.135 178.698 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 118' ' ' TYR . . . . . 0.544 ' HB3' HD23 ' B' ' 76' ' ' LEU . 96.7 m-85 -104.58 -24.32 13.0 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.981 0.42 . . . . 0.0 110.344 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 119' ' ' VAL . . . . . 0.457 ' O ' ' HB3' ' A' ' 22' ' ' SER . 27.7 m -85.32 -6.82 10.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.55 173.862 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.421 -1.211 . . . . 0.0 111.671 178.953 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.672 0 N-CA-C 111.783 -0.527 . . . . 0.0 111.783 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 32.8 t -164.38 -51.27 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 177.742 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . 127.86 34.05 0.57 Allowed Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.07 -179.506 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' -2' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -57.74 112.29 1.41 Allowed 'General case' 0 C--O 1.234 0.286 0 CA-C-O 121.024 0.44 . . . . 0.0 109.911 179.008 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . 0.438 ' CA ' ' HA2' ' B' ' 4' ' ' GLY . 3.4 p -130.67 119.45 22.43 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 121.17 0.51 . . . . 0.0 111.998 -173.383 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 60.1 t -128.53 113.08 28.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.204 -0.907 . . . . 0.0 108.61 174.251 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 6.9 t -76.11 -19.36 58.6 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.179 0.514 . . . . 0.0 110.824 -174.703 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.444 ' O ' ' HB2' ' B' ' -2' ' ' ASN . 43.7 t -83.71 74.07 10.2 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-O 121.062 0.458 . . . . 0.0 110.248 176.443 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -174.99 -141.9 3.86 Favored Glycine 0 N--CA 1.448 -0.528 0 C-N-CA 121.046 -0.597 . . . . 0.0 111.79 179.465 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.432 ' HA2' ' H ' ' A' ' 20' ' ' ALA . . . 73.1 -89.8 0.59 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.667 177.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.435 ' HB2' HG22 ' A' ' 10' ' ' THR . 36.9 p90 -61.28 -19.89 62.25 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 122.69 0.396 . . . . 0.0 111.494 -178.337 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -66.24 -25.74 72.42 Favored Glycine 0 CA--C 1.521 0.459 0 CA-C-N 116.258 -0.428 . . . . 0.0 113.53 -176.691 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -73.35 -26.32 60.98 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 121.477 0.656 . . . . 0.0 110.459 176.799 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 134.07 116.63 1.69 Allowed Glycine 0 N--CA 1.439 -1.122 0 N-CA-C 110.064 -1.214 . . . . 0.0 110.064 -172.224 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.435 HG22 ' HB2' ' A' ' 6' ' ' TYR . 32.5 p -77.11 -1.98 31.93 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.124 0.488 . . . . 0.0 111.337 -172.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 51.1 m -141.2 115.92 9.67 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.318 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -152.86 130.83 11.78 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.602 179.369 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -75.3 63.95 1.44 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.999 0.428 . . . . 0.0 111.891 -175.678 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -166.37 174.93 8.58 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.184 178.108 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.705 ' HA3' ' H ' ' A' ' 25' ' ' GLY . . . -144.46 -162.94 9.73 Favored Glycine 0 N--CA 1.445 -0.707 0 C-N-CA 119.725 -1.226 . . . . 0.0 113.447 -177.182 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.441 ' HA ' ' OE1' ' A' ' 74' ' ' GLU . . . 59.79 67.5 0.87 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.171 0.51 . . . . 0.0 111.754 175.369 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 82.85 20.67 60.87 Favored Glycine 0 CA--C 1.523 0.553 0 CA-C-N 115.68 -0.691 . . . . 0.0 114.132 177.182 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -61.86 -51.08 76.94 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.514 0 CA-C-N 117.285 0.543 . . . . 0.0 111.286 177.131 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -136.21 134.9 38.64 Favored 'General case' 0 C--N 1.315 -0.933 0 N-CA-C 108.158 -1.052 . . . . 0.0 108.158 176.811 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.432 ' H ' ' HA2' ' A' ' 5' ' ' GLY . . . -58.77 -15.79 13.82 Favored 'General case' 0 C--N 1.317 -0.82 0 N-CA-C 112.633 0.605 . . . . 0.0 112.633 -174.626 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -123.77 11.77 8.32 Favored Glycine 0 CA--C 1.522 0.469 0 C-N-CA 120.468 -0.872 . . . . 0.0 113.156 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.8 m -162.03 133.31 5.23 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 117.005 0.402 . . . . 0.0 111.29 -178.648 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.509 ' CE1' ' HA ' ' A' ' 74' ' ' GLU . 0.0 OUTLIER -152.77 132.53 13.18 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.03 -177.385 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.436 ' HA ' HG23 ' A' ' 27' ' ' VAL . . . -96.19 -13.07 23.78 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.661 179.225 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.705 ' H ' ' HA3' ' A' ' 15' ' ' GLY . . . -64.46 -33.6 87.68 Favored Glycine 0 CA--C 1.508 -0.364 0 C-N-CA 120.703 -0.761 . . . . 0.0 111.52 -179.155 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.61 ' HB1' ' HB2' ' A' ' 78' ' ' GLN . . . -66.29 -13.84 61.08 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.177 -0.511 . . . . 0.0 110.79 175.113 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.513 HG22 ' CD1' ' A' ' 81' ' ' LEU . 2.7 t -100.01 -43.84 11.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.941 -177.165 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 54.2 m-80 -62.23 -38.95 91.17 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 120.724 -0.391 . . . . 0.0 111.047 -176.783 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.414 ' HD3' ' OE1' ' A' ' 78' ' ' GLN . 13.6 ptm180 -69.97 -3.51 16.47 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.645 -176.639 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.543 ' HB3' HD12 ' B' ' 108' ' ' LEU . 88.3 mt -68.85 -27.64 66.0 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.998 0.428 . . . . 0.0 110.604 178.371 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 32.6 p -75.46 -3.44 33.91 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.971 -179.731 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 41.7 t -86.31 168.49 13.83 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.624 178.528 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -68.19 -10.32 53.47 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.802 179.757 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.408 ' CD ' HH21 ' A' ' 29' ' ' ARG . 32.9 mt-10 -56.73 -65.0 0.69 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.396 178.284 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.409 ' O ' HG23 ' A' ' 39' ' ' VAL . . . -63.1 -50.71 69.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.714 -0.676 . . . . 0.0 111.363 -179.181 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.07 -8.94 3.75 Favored 'General case' 0 N--CA 1.466 0.332 0 N-CA-C 112.417 0.525 . . . . 0.0 112.417 -176.095 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 32.4 t -92.6 -31.24 15.24 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 120.81 0.338 . . . . 0.0 110.986 175.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 58.7 mtp85 -97.98 -41.86 7.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.286 0.565 . . . . 0.0 110.184 -173.395 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.448 HG13 ' HB2' ' A' ' 86' ' ' ALA . 67.6 t -58.81 -49.86 81.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-N 115.092 -0.958 . . . . 0.0 110.58 177.756 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.7 m -69.68 -6.46 31.77 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.492 -0.776 . . . . 0.0 111.993 -177.05 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 25.1 t -94.69 -17.32 22.34 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.172 0.511 . . . . 0.0 110.141 179.509 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 44.8 m-80 -113.23 0.63 14.94 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.196 -175.371 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.404 HG13 ' N ' ' A' ' 44' ' ' ALA . 3.1 pt -59.46 -41.62 85.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.098 177.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.404 ' N ' HG13 ' A' ' 43' ' ' ILE . . . -77.71 -12.46 59.97 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.922 0.391 . . . . 0.0 110.998 -177.682 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -80.94 -53.86 6.08 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.213 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 48.4 mt -64.98 -35.45 75.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.52 -179.399 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.803 ' HB1' HD13 ' B' ' 96' ' ' ILE . . . -59.53 -28.28 66.95 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.268 179.632 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 34.1 m -89.62 -32.27 17.17 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.67 -0.696 . . . . 0.0 111.64 -175.578 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -98.93 -56.99 0.99 Allowed Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.548 -0.834 . . . . 0.0 112.463 -178.352 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 105.47 -83.4 0.37 Allowed Glycine 0 N--CA 1.442 -0.914 0 N-CA-C 110.58 -1.008 . . . . 0.0 110.58 -175.05 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -110.21 -24.2 10.82 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-O 121.227 0.537 . . . . 0.0 110.035 177.694 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 16.5 p -71.58 -15.2 62.26 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.858 -179.472 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -91.52 -16.4 27.28 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.761 -178.759 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.516 HD11 HG11 ' B' ' 88' ' ' VAL . 57.4 mt -56.94 -58.7 15.92 Favored Pre-proline 0 C--N 1.327 -0.401 0 CA-C-N 116.088 -0.506 . . . . 0.0 112.033 -175.155 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.467 ' HD3' ' OG ' ' A' ' 114' ' ' SER . 19.1 Cg_endo -59.65 -25.1 77.92 Favored 'Trans proline' 0 C--N 1.353 0.8 0 C-N-CA 121.998 1.798 . . . . 0.0 112.126 -176.565 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 12.4 m -83.77 -42.11 16.86 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.854 -179.418 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 75.9 t -77.44 -37.48 25.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.151 -174.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.518 HG12 HD22 ' A' ' 83' ' ' LEU . 71.2 mt -59.26 -38.97 77.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.122 175.234 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 10.8 t -67.85 -40.89 83.6 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.231 -0.441 . . . . 0.0 109.955 -179.716 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 -60.35 -38.68 84.58 Favored 'General case' 0 CA--C 1.52 -0.198 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.904 179.598 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.404 ' O ' HG23 ' A' ' 65' ' ' VAL . 71.8 mt -84.94 -50.16 15.03 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.856 -178.052 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.454 ' O ' HG23 ' A' ' 66' ' ' VAL . 51.9 t80 -54.17 -50.21 67.52 Favored 'General case' 0 N--CA 1.465 0.313 0 N-CA-C 111.611 0.226 . . . . 0.0 111.611 -175.32 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 16.5 t -63.23 -28.48 70.06 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.153 0.501 . . . . 0.0 110.27 -179.101 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -72.92 -41.62 48.22 Favored Glycine 0 N--CA 1.447 -0.569 0 N-CA-C 111.176 -0.77 . . . . 0.0 111.176 178.048 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.7 HG12 HG11 ' A' ' 70' ' ' VAL . 91.1 t -64.08 -47.76 88.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 115.269 -0.466 . . . . 0.0 110.911 178.034 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.454 HG23 ' O ' ' A' ' 62' ' ' TYR . 64.5 t -61.68 -35.35 66.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.854 -179.731 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -74.96 -2.1 25.59 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.738 179.067 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 30.7 t -87.53 -10.28 52.11 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.752 0.311 . . . . 0.0 110.526 178.01 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 89.37 32.05 10.92 Favored Glycine 0 C--N 1.329 0.193 0 C-N-CA 120.637 -0.792 . . . . 0.0 112.176 179.629 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.7 HG11 HG12 ' A' ' 65' ' ' VAL . 14.0 p -89.82 160.9 2.72 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 N-CA-C 110.137 -0.32 . . . . 0.0 110.137 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 42.8 t -55.87 139.47 45.78 Favored 'General case' 0 N--CA 1.451 -0.379 0 N-CA-C 109.895 -0.409 . . . . 0.0 109.895 173.248 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 20.4 m -57.58 -32.74 67.45 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.046 0.387 . . . . 0.0 112.046 -174.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -90.55 -33.31 15.95 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.709 -0.396 . . . . 0.0 110.507 -177.409 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.509 ' HA ' ' CE1' ' A' ' 23' ' ' TYR . 55.0 tt0 -69.31 -24.87 63.99 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-O 121.101 0.477 . . . . 0.0 110.65 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.403 ' HB2' HG13 ' A' ' 70' ' ' VAL . . . -57.46 -38.21 74.1 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.561 -0.745 . . . . 0.0 111.528 178.768 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.417 HD23 ' HB3' ' A' ' 118' ' ' TYR . 3.0 tm? -56.27 -48.18 77.09 Favored 'General case' 0 C--N 1.331 -0.203 0 O-C-N 123.24 0.337 . . . . 0.0 110.21 179.238 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.671 ' O ' ' HG ' ' A' ' 81' ' ' LEU . 32.3 mm -61.37 -55.57 23.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.984 -176.273 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . 0.61 ' HB2' ' HB1' ' A' ' 26' ' ' ALA . 20.1 tt0 -57.73 -46.6 84.23 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 120.609 0.242 . . . . 0.0 111.093 179.352 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -58.05 -39.11 77.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.55 -179.061 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.617 ' O ' HD23 ' A' ' 84' ' ' LEU . 2.7 mm? -68.95 -47.38 65.82 Favored 'General case' 0 N--CA 1.447 -0.575 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.137 176.214 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.749 HD22 HG11 ' B' ' 115' ' ' VAL . 14.3 mt -63.44 -38.66 91.99 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.638 0.256 . . . . 0.0 111.549 -174.523 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -60.4 -44.93 95.22 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.924 0.392 . . . . 0.0 110.368 172.512 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.518 HD22 HG12 ' A' ' 58' ' ' ILE . 32.9 tp -59.46 -44.43 92.99 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.88 176.601 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.631 HD21 HD21 ' B' ' 84' ' ' LEU . 3.8 mm? -60.85 -13.37 15.07 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.45 -0.795 . . . . 0.0 111.747 -178.349 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.461 ' OG ' HD13 ' B' ' 108' ' ' LEU . 19.5 m -98.38 -28.52 13.61 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.62 -0.264 . . . . 0.0 110.904 -178.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.448 ' HB2' HG13 ' A' ' 39' ' ' VAL . . . -70.04 -41.36 74.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.273 0.559 . . . . 0.0 110.503 -177.387 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.465 ' HG ' ' O ' ' A' ' 83' ' ' LEU . 1.1 pp -84.82 -15.6 44.27 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.486 -0.779 . . . . 0.0 112.777 -172.199 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.527 HG11 HD11 ' B' ' 54' ' ' LEU . 15.4 m -91.8 -28.95 4.63 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.294 0 C-N-CA 120.397 -0.521 . . . . 0.0 110.86 177.338 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 60.6 t60 -66.47 -35.99 81.64 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.919 0.39 . . . . 0.0 110.184 179.04 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.409 HG13 ' O ' ' A' ' 86' ' ' ALA . 31.4 m -64.59 -26.39 40.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.247 -176.826 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.591 ' HA ' ' HB3' ' A' ' 94' ' ' ALA . 3.5 mm? -67.02 -21.66 65.92 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.588 -0.278 . . . . 0.0 111.427 -179.292 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 32.8 t -64.25 -29.5 70.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.089 0.471 . . . . 0.0 110.173 178.416 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.627 ' HB2' HG12 ' B' ' 99' ' ' VAL . 57.3 m -110.52 -15.81 13.81 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.691 -178.153 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.591 ' HB3' ' HA ' ' A' ' 91' ' ' LEU . . . -83.91 101.21 11.51 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.481 -0.782 . . . . 0.0 111.059 178.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 11.8 t -76.51 93.47 3.55 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 176.37 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.688 HD13 ' HB1' ' B' ' 47' ' ' ALA . 19.6 tt -75.01 143.6 13.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.647 -177.623 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -97.11 -106.23 2.38 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.879 -0.677 . . . . 0.0 112.804 -179.526 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -120.03 110.26 16.47 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.773 0.32 . . . . 0.0 110.902 -176.24 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.552 ' CG1' HD11 ' A' ' 96' ' ' ILE . 4.7 m -95.64 140.89 16.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.771 177.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 27.2 m -98.02 152.13 19.6 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.475 -179.391 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 44.3 m -87.23 4.87 40.88 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.007 0.432 . . . . 0.0 110.269 178.639 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 7.1 p -110.95 132.89 58.19 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.596 0 CA-C-O 121.292 0.568 . . . . 0.0 109.647 -179.515 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 109.7 -16.8 30.96 Favored Glycine 0 N--CA 1.446 -0.699 0 CA-C-N 115.506 -0.77 . . . . 0.0 111.755 -179.026 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.449 ' O ' HD23 ' A' ' 108' ' ' LEU . 17.9 t -59.59 -32.67 49.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-O 120.894 0.378 . . . . 0.0 110.027 177.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -50.32 -38.13 40.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.275 -0.875 . . . . 0.0 111.064 178.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 17.9 m -81.39 -27.09 34.96 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.141 -178.343 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 23.3 m -70.32 -32.4 70.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.062 0.458 . . . . 0.0 110.031 -179.626 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.736 HD12 ' HB3' ' B' ' 30' ' ' LEU . 4.6 mm? -58.02 -27.69 63.78 Favored 'General case' 0 C--O 1.221 -0.418 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.493 174.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . 0.549 HD22 ' N ' ' A' ' 109' ' ' ASN . 0.8 OUTLIER -74.19 -27.82 60.99 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.042 0.449 . . . . 0.0 110.502 -178.536 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 15.9 t -81.23 -37.2 15.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.518 -176.707 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.539 HG12 ' O ' ' A' ' 108' ' ' LEU . 9.5 p -64.48 -32.25 56.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.223 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . 0.636 ' HG3' ' O ' ' A' ' 108' ' ' LEU . 22.4 mt-30 -66.4 -24.81 66.54 Favored 'General case' 0 CA--C 1.519 -0.218 0 CA-C-O 121.294 0.569 . . . . 0.0 110.207 179.38 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -85.26 -33.49 22.16 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.312 -0.858 . . . . 0.0 109.936 -177.67 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . 0.467 ' OG ' ' HD3' ' A' ' 55' ' ' PRO . 15.1 m -77.63 -46.75 21.11 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 114.941 -1.027 . . . . 0.0 111.728 -173.023 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.468 HG12 ' O ' ' A' ' 111' ' ' VAL . 12.0 p -112.24 -19.61 6.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.617 -174.156 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -57.67 -31.47 63.9 Favored Glycine 0 C--O 1.228 -0.248 0 C-N-CA 121.202 -0.523 . . . . 0.0 112.769 -178.306 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.68 -3.33 56.19 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 111.965 0.357 . . . . 0.0 111.965 -179.595 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . 0.417 ' HB3' HD23 ' A' ' 76' ' ' LEU . 96.2 m-85 -107.96 -26.28 10.78 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.8 0.333 . . . . 0.0 110.338 178.095 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.413 ' O ' ' HB3' ' B' ' 22' ' ' SER . 33.4 m -92.51 -4.23 10.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-O 121.181 0.515 . . . . 0.0 110.615 175.017 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.811 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.904 179.518 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.01 -0.436 . . . . 0.0 112.01 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' -4' ' ' SER . . . . . . . . . . . . . 13.3 m -103.35 15.33 29.38 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.11 0.481 . . . . 0.0 110.565 -179.627 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' -3' ' ' GLY . . . . . . . . . . . . . . . 77.15 44.77 12.77 Favored Glycine 0 N--CA 1.449 -0.485 0 N-CA-C 111.096 -0.801 . . . . 0.0 111.096 -176.285 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' -2' ' ' ASN . . . . . 0.444 ' HB2' ' O ' ' A' ' 3' ' ' SER . 1.4 m-20 -60.46 127.29 30.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.329 -0.435 . . . . 0.0 110.983 -176.114 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' -1' ' ' SER . . . . . . . . . . . . . 4.0 p -92.17 71.01 5.36 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.395 0.617 . . . . 0.0 109.936 177.068 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 57.8 t -123.9 139.92 48.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.417 -177.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 2' ' ' THR . . . . . 0.448 HG23 ' O ' ' B' ' 2' ' ' THR . 9.8 t -107.05 84.59 2.0 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 122.114 0.959 . . . . 0.0 110.39 177.649 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 59.2 m -159.21 176.61 11.99 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.268 -0.878 . . . . 0.0 109.254 179.779 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 4' ' ' GLY . . . . . 0.438 ' HA2' ' CA ' ' A' ' -1' ' ' SER . . . 107.26 -156.36 15.97 Favored Glycine 0 N--CA 1.448 -0.541 0 C-N-CA 120.125 -1.036 . . . . 0.0 112.901 175.81 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 5' ' ' GLY . . . . . 0.604 ' HA2' ' HB1' ' B' ' 19' ' ' ALA . . . 82.92 -105.64 2.68 Favored Glycine 0 N--CA 1.443 -0.88 0 C-N-CA 120.975 -0.631 . . . . 0.0 113.016 176.324 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 6' ' ' TYR . . . . . . . . . . . . . 49.6 p90 -57.9 -25.9 61.43 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 112.666 0.617 . . . . 0.0 112.666 -172.662 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -68.1 -27.97 73.52 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.953 -0.641 . . . . 0.0 113.573 -175.071 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 81.4 m-85 -83.24 3.08 32.69 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.995 0.426 . . . . 0.0 110.792 -178.858 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 107.39 102.88 2.83 Favored Glycine 0 N--CA 1.437 -1.237 0 N-CA-C 111.162 -0.775 . . . . 0.0 111.162 -176.726 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 58.2 p -58.6 -35.48 72.49 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.458 0.647 . . . . 0.0 110.982 -177.36 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 35.0 m -98.23 83.03 3.01 Favored 'General case' 0 N--CA 1.445 -0.678 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.471 178.168 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -108.99 137.96 46.09 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.678 178.777 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -92.76 11.34 27.25 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.217 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -115.43 179.62 3.91 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.075 179.529 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 15' ' ' GLY . . . . . 0.696 ' HA3' ' H ' ' B' ' 25' ' ' GLY . . . -147.81 -170.02 15.52 Favored Glycine 0 N--CA 1.445 -0.702 0 C-N-CA 120.202 -0.999 . . . . 0.0 113.001 -177.097 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . 69.3 -60.84 0.45 Allowed 'General case' 0 C--N 1.337 0.057 0 C-N-CA 123.675 0.79 . . . . 0.0 112.836 177.318 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -129.73 52.81 0.82 Allowed Glycine 0 N--CA 1.446 -0.655 0 C-N-CA 120.889 -0.672 . . . . 0.0 112.056 -179.112 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . 0.532 HG23 ' H ' ' B' ' 19' ' ' ALA . 0.7 OUTLIER -102.36 -64.84 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 120.842 0.354 . . . . 0.0 111.318 177.799 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 19' ' ' ALA . . . . . 0.604 ' HB1' ' HA2' ' B' ' 5' ' ' GLY . . . -120.62 154.62 35.21 Favored 'General case' 0 N--CA 1.444 -0.744 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 -178.691 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.13 -34.91 79.13 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 120.645 0.26 . . . . 0.0 111.651 -175.544 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -129.06 27.07 4.35 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.331 -179.806 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 22' ' ' SER . . . . . 0.477 ' O ' ' HB3' ' B' ' 19' ' ' ALA . 40.1 m -154.5 129.09 9.23 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-O 120.885 0.374 . . . . 0.0 110.872 179.06 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 23' ' ' TYR . . . . . 0.435 ' CE1' ' HA ' ' B' ' 74' ' ' GLU . 0.0 OUTLIER -152.91 135.41 15.15 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.205 -0.452 . . . . 0.0 109.783 -178.841 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . 0.481 ' HA ' HG23 ' B' ' 27' ' ' VAL . . . -94.28 -13.15 26.8 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.457 -178.293 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . 0.696 ' H ' ' HA3' ' B' ' 15' ' ' GLY . . . -62.54 -34.61 89.99 Favored Glycine 0 N--CA 1.453 -0.207 0 C-N-CA 120.622 -0.799 . . . . 0.0 111.658 -177.757 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 26' ' ' ALA . . . . . 0.644 ' HB1' ' HB2' ' B' ' 78' ' ' GLN . . . -65.62 -26.05 67.65 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.232 0.539 . . . . 0.0 110.799 176.627 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . 0.49 HG22 HD11 ' B' ' 81' ' ' LEU . 2.3 t -86.63 -40.41 14.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-O 121.605 0.717 . . . . 0.0 110.539 -174.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 69.1 m-20 -69.47 -17.22 63.6 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.759 -172.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 29' ' ' ARG . . . . . 0.42 HH21 ' CD ' ' B' ' 34' ' ' GLU . 12.6 ptm180 -95.83 6.86 47.87 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.871 0.367 . . . . 0.0 110.934 -178.749 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . 0.736 ' HB3' HD12 ' A' ' 108' ' ' LEU . 98.8 mt -75.78 -25.93 56.88 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.899 0.381 . . . . 0.0 110.872 -179.027 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 13.7 p -73.6 -2.9 24.87 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.225 0.536 . . . . 0.0 110.769 178.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 68.3 m -85.01 157.83 20.65 Favored 'General case' 0 N--CA 1.443 -0.824 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.756 178.456 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.56 -24.14 66.44 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.369 -179.674 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . 0.42 ' CD ' HH21 ' B' ' 29' ' ' ARG . 28.9 mt-10 -50.4 -57.74 7.29 Favored 'General case' 0 CA--C 1.521 -0.157 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.818 178.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 35' ' ' ALA . . . . . 0.635 ' O ' HG23 ' B' ' 39' ' ' VAL . . . -63.8 -61.07 2.53 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.868 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -48.64 -35.18 13.18 Favored 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 112.592 0.59 . . . . 0.0 112.592 -174.503 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 30.1 t -69.94 -27.65 64.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.712 0.291 . . . . 0.0 111.41 -178.021 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 58.4 mtp85 -96.0 -39.97 9.5 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.646 0.736 . . . . 0.0 109.671 -176.702 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . 0.635 HG23 ' O ' ' B' ' 35' ' ' ALA . 39.7 t -61.48 -42.4 93.75 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.762 0 CA-C-N 114.594 -1.185 . . . . 0.0 110.676 179.633 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 78.4 p -74.19 -8.27 55.61 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.993 0.425 . . . . 0.0 111.271 179.73 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 30.6 t -90.66 -17.59 26.55 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.09 0.472 . . . . 0.0 110.319 -179.713 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 46.4 m-80 -114.2 -2.83 13.29 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.281 -175.319 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 43' ' ' ILE . . . . . 0.49 HG23 ' O ' ' B' ' 39' ' ' VAL . 4.0 pt -57.87 -41.86 80.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.991 0.424 . . . . 0.0 111.07 178.173 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . 0.456 ' N ' HG13 ' B' ' 43' ' ' ILE . . . -77.2 -14.14 59.82 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.034 0.445 . . . . 0.0 111.015 -176.056 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -81.83 -51.27 8.29 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.365 -179.611 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 46' ' ' ILE . . . . . 0.475 HG21 ' HB3' ' B' ' 87' ' ' LEU . 34.9 mt -67.67 -32.74 58.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.213 179.683 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . 0.688 ' HB1' HD13 ' A' ' 96' ' ' ILE . . . -65.2 -16.56 63.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.511 178.558 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 47.1 m -106.96 -31.07 8.48 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.632 -177.009 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -97.53 -28.59 8.35 Favored Glycine 0 N--CA 1.453 -0.218 0 C-N-CA 120.545 -0.836 . . . . 0.0 112.957 -179.19 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 76.98 -73.41 1.96 Allowed Glycine 0 N--CA 1.448 -0.551 0 N-CA-C 111.664 -0.574 . . . . 0.0 111.664 -178.545 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -120.58 -28.75 4.87 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 120.869 0.366 . . . . 0.0 110.874 -179.394 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 11.3 p -73.91 -10.05 59.26 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.014 0.435 . . . . 0.0 111.206 -176.032 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -89.56 -15.78 32.13 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.559 179.651 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 54' ' ' LEU . . . . . 0.527 HD11 HG11 ' A' ' 88' ' ' VAL . 38.4 mt -56.38 -59.17 12.82 Favored Pre-proline 0 C--N 1.327 -0.385 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.846 -176.81 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 55' ' ' PRO . . . . . 0.438 ' HD2' ' N ' ' B' ' 54' ' ' LEU . 15.8 Cg_endo -57.72 -25.59 69.04 Favored 'Trans proline' 0 C--N 1.353 0.773 0 C-N-CA 122.272 1.981 . . . . 0.0 112.335 -177.059 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 14.9 m -86.76 -42.65 13.16 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.142 -178.763 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 77.6 t -77.52 -37.6 24.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.978 0.418 . . . . 0.0 110.543 -174.319 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 58' ' ' ILE . . . . . 0.473 HG12 ' HG ' ' B' ' 83' ' ' LEU . 67.4 mt -57.95 -38.16 64.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.806 174.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 23.1 t -69.91 -42.84 72.81 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.269 179.676 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 96.1 m-20 -55.99 -47.76 77.12 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.832 179.524 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . 0.429 ' O ' HG23 ' B' ' 65' ' ' VAL . 54.5 mt -75.48 -47.5 34.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 115.521 -0.763 . . . . 0.0 111.583 -177.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 62' ' ' TYR . . . . . 0.432 ' O ' HG23 ' B' ' 66' ' ' VAL . 51.1 t80 -52.62 -50.03 63.93 Favored 'General case' 0 N--CA 1.467 0.388 0 O-C-N 123.087 0.242 . . . . 0.0 111.21 -177.635 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 29.8 t -60.77 -30.52 70.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.499 -179.756 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -74.58 -40.21 39.23 Favored Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 120.4 -0.905 . . . . 0.0 111.155 179.038 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 65' ' ' VAL . . . . . 0.705 HG12 HG11 ' B' ' 70' ' ' VAL . 98.0 t -63.19 -47.4 92.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-N 115.171 -0.514 . . . . 0.0 110.912 178.517 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 66' ' ' VAL . . . . . 0.432 HG23 ' O ' ' B' ' 62' ' ' TYR . 68.6 t -62.14 -37.9 79.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.609 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -70.47 -5.87 31.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.869 178.648 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 30.7 t -89.22 -5.37 57.71 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-O 120.894 0.378 . . . . 0.0 110.706 179.162 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 84.6 29.59 29.29 Favored Glycine 0 C--N 1.33 0.242 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.328 178.118 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.705 HG11 HG12 ' B' ' 65' ' ' VAL . 14.1 p -78.64 164.98 3.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 115.592 -0.304 . . . . 0.0 110.245 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 71' ' ' SER . . . . . 0.429 ' N ' HG22 ' B' ' 70' ' ' VAL . 45.4 t -61.87 139.05 58.4 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 172.475 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 10.0 m -52.68 -38.55 60.71 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 112.378 0.51 . . . . 0.0 112.378 -174.056 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -89.69 -30.95 17.72 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.791 0.329 . . . . 0.0 110.52 -175.883 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 74' ' ' GLU . . . . . 0.435 ' HA ' ' CE1' ' B' ' 23' ' ' TYR . 45.0 tt0 -70.24 -24.47 63.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.875 0.369 . . . . 0.0 110.61 179.608 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -54.93 -37.99 67.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.811 -0.632 . . . . 0.0 111.485 178.096 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 76' ' ' LEU . . . . . 0.474 HD23 ' HB3' ' B' ' 118' ' ' TYR . 2.8 tm? -57.49 -48.16 79.97 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 177.054 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 77' ' ' ILE . . . . . 0.716 ' O ' ' HG ' ' B' ' 81' ' ' LEU . 37.5 mm -64.1 -55.19 23.4 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-N 115.453 -0.794 . . . . 0.0 111.259 -176.127 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 78' ' ' GLN . . . . . 0.644 ' HB2' ' HB1' ' B' ' 26' ' ' ALA . 28.6 tt0 -56.59 -45.56 81.3 Favored 'General case' 0 N--CA 1.464 0.269 0 C-N-CA 120.871 -0.332 . . . . 0.0 111.134 179.297 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -57.18 -44.04 83.2 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.982 0.42 . . . . 0.0 110.624 178.649 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 80' ' ' LEU . . . . . 0.588 ' O ' HD23 ' B' ' 84' ' ' LEU . 3.5 mm? -68.26 -38.85 82.18 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.476 177.725 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . 0.716 ' HG ' ' O ' ' B' ' 77' ' ' ILE . 81.1 mt -60.84 -47.48 86.17 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.904 0.383 . . . . 0.0 110.979 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 57.7 mt-10 -64.96 -37.82 88.91 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.637 177.495 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 83' ' ' LEU . . . . . 0.473 ' HG ' HG12 ' B' ' 58' ' ' ILE . 3.4 tm? -60.48 -46.06 91.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.725 -0.671 . . . . 0.0 109.914 176.07 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 84' ' ' LEU . . . . . 0.631 HD21 HD21 ' A' ' 84' ' ' LEU . 4.0 mm? -68.67 -7.96 38.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.844 -178.759 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 42.1 m -95.43 -34.84 11.95 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 120.86 0.362 . . . . 0.0 110.703 -178.715 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 86' ' ' ALA . . . . . 0.403 ' O ' HG13 ' B' ' 90' ' ' VAL . . . -67.9 -44.46 76.9 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.083 -176.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 87' ' ' LEU . . . . . 0.489 HD12 HG13 ' B' ' 88' ' ' VAL . 1.2 pp -79.6 -16.78 55.24 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 113.16 0.8 . . . . 0.0 113.16 -171.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 88' ' ' VAL . . . . . 0.516 HG11 HD11 ' A' ' 54' ' ' LEU . 16.9 m -91.64 -26.02 5.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 C-N-CA 120.228 -0.589 . . . . 0.0 110.735 177.253 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 89' ' ' HIS . . . . . 0.406 ' CD2' HG22 ' A' ' 104' ' ' VAL . 69.3 t60 -67.46 -36.25 80.8 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.063 177.545 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 90' ' ' VAL . . . . . 0.462 ' HB ' ' CD1' ' A' ' 96' ' ' ILE . 32.0 m -64.55 -25.9 39.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.517 -175.694 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 91' ' ' LEU . . . . . 0.686 ' HA ' ' HB3' ' B' ' 94' ' ' ALA . 3.1 mm? -68.43 -20.43 64.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.609 -0.269 . . . . 0.0 111.175 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 33.1 t -62.96 -31.41 72.51 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.054 0.454 . . . . 0.0 110.269 178.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . 0.454 ' HB2' HG12 ' A' ' 99' ' ' VAL . 19.2 m -116.09 13.53 15.82 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.248 0.547 . . . . 0.0 110.305 -179.623 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 94' ' ' ALA . . . . . 0.686 ' HB3' ' HA ' ' B' ' 91' ' ' LEU . . . -109.29 98.83 8.19 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.65 179.232 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 16.8 t -75.24 93.42 2.84 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 177.322 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 96' ' ' ILE . . . . . 0.803 HD13 ' HB1' ' A' ' 47' ' ' ALA . 18.9 tt -71.59 144.85 12.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.711 -177.54 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 97' ' ' GLY . . . . . . . . . . . . . . . -92.03 -106.22 1.55 Allowed Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 120.974 -0.631 . . . . 0.0 112.245 179.517 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 98' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -126.1 109.82 12.81 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 110.148 -0.316 . . . . 0.0 110.148 -178.261 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 99' ' ' VAL . . . . . 0.627 HG12 ' HB2' ' A' ' 93' ' ' SER . 12.8 m -91.91 165.0 2.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.109 175.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 100' ' ' SER . . . . . . . . . . . . . 44.1 m -139.75 155.47 47.3 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 120.725 0.298 . . . . 0.0 110.664 -179.459 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 26.7 m -84.26 6.42 22.87 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.371 -176.652 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 4.8 p -98.35 113.94 34.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-O 121.562 0.696 . . . . 0.0 110.64 -179.425 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . 114.04 -9.43 23.02 Favored Glycine 0 N--CA 1.448 -0.563 0 CA-C-N 115.266 -0.879 . . . . 0.0 112.557 178.488 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 104' ' ' VAL . . . . . . . . . . . . . 46.5 t -62.2 -34.56 64.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 177.2 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -50.89 -43.54 59.72 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 121.741 0.781 . . . . 0.0 110.227 178.628 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 4.4 m -71.34 -25.93 62.6 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.011 -0.995 . . . . 0.0 111.09 -179.087 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 23.1 m -74.69 -34.05 62.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.899 0.38 . . . . 0.0 110.225 -177.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 108' ' ' LEU . . . . . 0.609 ' O ' HG12 ' B' ' 111' ' ' VAL . 4.3 mm? -58.46 -37.38 75.34 Favored 'General case' 0 C--O 1.226 -0.179 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.514 176.2 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 109' ' ' ASN . . . . . . . . . . . . . 19.0 m-80 -65.8 -25.32 67.19 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.497 -178.272 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 110' ' ' VAL . . . . . . . . . . . . . 24.3 t -86.74 -38.69 12.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.062 -177.112 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 111' ' ' VAL . . . . . 0.609 HG12 ' O ' ' B' ' 108' ' ' LEU . 8.8 p -61.46 -28.95 45.0 Favored 'Isoleucine or valine' 0 C--O 1.235 0.299 0 CA-C-O 121.249 0.547 . . . . 0.0 110.115 -179.516 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 112' ' ' GLN . . . . . 0.581 ' HG3' ' O ' ' B' ' 108' ' ' LEU . 25.3 mt-30 -63.85 -23.83 67.51 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.707 179.187 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 113' ' ' ASP . . . . . 0.433 ' O ' ' HG2' ' B' ' 117' ' ' GLN . 28.6 t70 -80.69 -38.87 28.14 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.578 -178.862 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 11.1 m -76.49 -36.94 57.54 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.302 -0.863 . . . . 0.0 112.223 -170.315 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 115' ' ' VAL . . . . . 0.749 HG11 HD22 ' A' ' 81' ' ' LEU . 12.9 p -112.07 -22.67 4.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-O 120.831 0.348 . . . . 0.0 111.385 -176.492 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 116' ' ' GLY . . . . . . . . . . . . . . . -63.87 -16.71 59.74 Favored Glycine 0 C--O 1.226 -0.392 0 CA-C-N 116.27 -0.423 . . . . 0.0 113.121 -176.841 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 117' ' ' GLN . . . . . 0.433 ' HG2' ' O ' ' B' ' 113' ' ' ASP . 0.0 OUTLIER -93.19 0.4 57.12 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.926 0.393 . . . . 0.0 111.432 178.626 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 118' ' ' TYR . . . . . 0.474 ' HB3' HD23 ' B' ' 76' ' ' LEU . 98.0 m-85 -113.63 -29.34 7.17 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.373 177.43 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 119' ' ' VAL . . . . . . . . . . . . . 34.6 m -93.09 -3.15 10.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.12 177.362 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.969 0 CA-C-O 118.039 -1.423 . . . . 0.0 110.931 -178.809 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.74 0 N-CA-C 111.673 -0.571 . . . . 0.0 111.673 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 37.7 m -79.2 94.82 5.47 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.142 0.496 . . . . 0.0 110.704 178.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . -78.82 90.44 1.17 Allowed Glycine 0 N--CA 1.448 -0.513 0 CA-C-N 115.715 -0.675 . . . . 0.0 112.379 -179.547 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' -2' ' ' ASN . . . . . . . . . . . . . 25.8 p-10 -88.61 -18.97 26.91 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.116 0.484 . . . . 0.0 110.542 178.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 2.6 p -93.44 88.66 6.02 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.206 0.527 . . . . 0.0 111.052 -179.528 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 30.0 t -87.02 94.98 4.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 177.149 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 37.3 p -92.51 -175.38 3.97 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.402 -175.61 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.1 m -69.62 -10.29 57.62 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.774 -176.71 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -134.08 6.97 4.75 Favored Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.151 176.546 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -81.2 52.96 4.59 Favored Glycine 0 CA--C 1.518 0.251 0 C-N-CA 121.133 -0.556 . . . . 0.0 112.977 -175.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.599 ' HA ' HG22 ' A' ' 10' ' ' THR . 17.9 p90 -161.64 -31.75 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 122.403 0.281 . . . . 0.0 111.009 -179.068 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 66.33 45.93 82.41 Favored Glycine 0 N--CA 1.446 -0.683 0 C-N-CA 120.43 -0.891 . . . . 0.0 112.0 178.506 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.486 ' HB3' ' O ' ' A' ' 18' ' ' VAL . 35.2 m-85 67.78 -48.96 0.52 Allowed 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 124.125 0.97 . . . . 0.0 111.968 -173.73 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -141.29 104.16 0.37 Allowed Glycine 0 N--CA 1.442 -0.963 0 N-CA-C 110.669 -0.972 . . . . 0.0 110.669 -176.652 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.599 HG22 ' HA ' ' A' ' 6' ' ' TYR . 27.6 p -57.7 -50.16 74.13 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-O 121.255 0.55 . . . . 0.0 112.022 -174.105 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 56.4 m -75.71 -25.47 56.67 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.525 -0.761 . . . . 0.0 111.421 -179.095 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . 68.56 124.32 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.284 0 O-C-N 123.966 0.791 . . . . 0.0 111.406 -176.364 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -134.21 -176.95 4.37 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.792 -175.12 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -83.1 17.92 1.85 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.196 0.522 . . . . 0.0 110.953 179.777 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.586 ' O ' ' HA3' ' A' ' 25' ' ' GLY . . . 112.81 103.52 2.64 Favored Glycine 0 N--CA 1.443 -0.845 0 C-N-CA 120.96 -0.638 . . . . 0.0 111.98 -179.843 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -168.13 96.18 0.42 Allowed 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 109.049 -0.722 . . . . 0.0 109.049 178.366 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 61.21 35.86 91.52 Favored Glycine 0 N--CA 1.45 -0.414 0 N-CA-C 111.276 -0.729 . . . . 0.0 111.276 -171.162 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.486 ' O ' ' HB3' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -72.96 -69.36 0.34 Allowed 'Isoleucine or valine' 0 C--O 1.225 -0.23 0 CA-C-O 120.752 0.31 . . . . 0.0 111.295 -176.673 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.479 ' HB3' ' HB2' ' A' ' 22' ' ' SER . . . -98.44 177.42 5.35 Favored 'General case' 0 C--N 1.316 -0.876 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 -178.31 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.88 -44.99 94.62 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.237 -178.078 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -139.07 27.47 2.66 Favored Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.931 -0.652 . . . . 0.0 111.832 -179.476 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.479 ' HB2' ' HB3' ' A' ' 19' ' ' ALA . 29.5 m -137.73 125.97 23.13 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 120.828 0.346 . . . . 0.0 110.303 179.365 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.535 ' CE1' ' HA ' ' A' ' 74' ' ' GLU . 0.1 OUTLIER -149.06 125.52 10.94 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.097 -0.501 . . . . 0.0 109.827 -177.786 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -83.86 -27.8 28.43 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.852 -176.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.586 ' HA3' ' O ' ' A' ' 15' ' ' GLY . . . -60.97 -31.65 77.2 Favored Glycine 0 CA--C 1.508 -0.375 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.276 -179.685 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.503 ' HB1' ' HB2' ' A' ' 78' ' ' GLN . . . -65.88 -17.35 64.59 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.213 0.53 . . . . 0.0 110.355 177.744 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.548 HG22 ' CD1' ' A' ' 81' ' ' LEU . 3.2 t -96.15 -45.1 13.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.314 -179.335 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.459 HD22 ' HA2' ' A' ' 25' ' ' GLY . 45.8 m-80 -62.87 -32.19 73.37 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.685 -0.406 . . . . 0.0 110.395 -179.273 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.513 HH21 HG13 ' A' ' 65' ' ' VAL . 6.3 ttp85 -67.47 -7.49 25.97 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.759 -179.061 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.511 HD11 ' HB3' ' A' ' 81' ' ' LEU . 75.0 mt -76.15 -19.88 58.08 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.738 0.304 . . . . 0.0 111.015 -179.004 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 60.7 p -75.85 -10.4 59.4 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.023 0.44 . . . . 0.0 110.774 -178.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 34.9 t -78.0 155.91 30.45 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.154 179.318 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.01 -18.0 63.87 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.3 -178.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -58.08 -50.59 72.94 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.579 179.533 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.654 ' O ' HG23 ' A' ' 39' ' ' VAL . . . -62.49 -55.79 24.21 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.413 178.459 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.61 -35.8 32.02 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.678 -177.047 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 24.9 t -73.18 -20.67 60.84 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.088 -0.506 . . . . 0.0 112.113 -178.563 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.474 ' HD2' ' OE1' ' A' ' 82' ' ' GLU . 56.5 mtt180 -99.31 -51.24 3.86 Favored 'General case' 0 CA--C 1.514 -0.407 0 CA-C-O 121.868 0.842 . . . . 0.0 109.5 -178.849 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.654 HG23 ' O ' ' A' ' 35' ' ' ALA . 26.0 t -56.26 -41.26 69.91 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-N 114.081 -1.418 . . . . 0.0 111.191 -176.411 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.45 ' O ' HG12 ' A' ' 43' ' ' ILE . 91.7 p -78.85 -4.79 51.35 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.98 0.419 . . . . 0.0 111.559 -176.867 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 22.6 t -99.19 -5.98 29.02 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.109 0.48 . . . . 0.0 110.096 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.447 ' HB3' HG13 ' A' ' 57' ' ' VAL . 45.9 m-80 -117.27 -5.52 11.32 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.575 -178.587 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.495 HG13 ' N ' ' A' ' 44' ' ' ALA . 7.7 pt -58.15 -43.61 85.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.605 179.691 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.495 ' N ' HG13 ' A' ' 43' ' ' ILE . . . -75.92 -14.69 60.26 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.106 0.479 . . . . 0.0 110.94 -175.186 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -78.69 -49.55 12.93 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.789 178.764 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 36.6 mt -67.37 -33.98 65.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.132 179.289 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.784 ' HB1' HD13 ' B' ' 96' ' ' ILE . . . -61.46 -26.21 67.74 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.169 179.067 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 24.9 m -98.88 -32.23 11.44 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.696 -175.607 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -99.15 -25.82 9.27 Favored Glycine 0 CA--C 1.519 0.333 0 C-N-CA 120.562 -0.827 . . . . 0.0 113.416 -176.459 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 73.43 -76.13 0.96 Allowed Glycine 0 N--CA 1.45 -0.381 0 N-CA-C 111.726 -0.55 . . . . 0.0 111.726 -178.484 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -118.94 -22.94 7.08 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-O 121.005 0.431 . . . . 0.0 110.313 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 35.8 t -72.2 -14.81 61.89 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.833 -0.622 . . . . 0.0 110.678 -177.601 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -90.39 -17.64 26.9 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.812 -177.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.465 HD11 HG11 ' B' ' 88' ' ' VAL . 55.0 mt -53.86 -56.92 20.46 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.029 -0.532 . . . . 0.0 112.172 -175.704 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.424 ' HD2' ' N ' ' A' ' 54' ' ' LEU . 28.6 Cg_endo -63.66 -13.69 38.25 Favored 'Trans proline' 0 C--N 1.353 0.772 0 C-N-CA 122.103 1.869 . . . . 0.0 112.87 -175.868 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 38.6 m -100.49 -37.99 8.58 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.82 0.343 . . . . 0.0 111.101 179.541 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.447 HG13 ' HB3' ' A' ' 42' ' ' ASN . 79.4 t -75.96 -38.01 35.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 121.038 0.447 . . . . 0.0 109.926 -175.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.489 HG12 HD22 ' A' ' 83' ' ' LEU . 72.1 mt -58.26 -39.39 73.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.775 -0.648 . . . . 0.0 109.766 173.821 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 23.8 t -67.42 -40.7 85.54 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.2 -177.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 95.9 m-20 -61.91 -49.6 75.51 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.887 178.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 59.9 mt -73.24 -46.55 49.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.805 -176.257 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.52 ' O ' HG23 ' A' ' 66' ' ' VAL . 61.7 t80 -53.65 -55.68 23.87 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 120.69 0.281 . . . . 0.0 111.07 -177.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 23.0 t -62.69 -27.74 69.46 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.568 -178.433 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -69.33 -40.94 80.09 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.948 -0.644 . . . . 0.0 112.092 178.453 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.571 HG12 HG11 ' A' ' 70' ' ' VAL . 36.3 t -74.11 -39.48 50.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.823 0.344 . . . . 0.0 110.625 178.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.52 HG23 ' O ' ' A' ' 62' ' ' TYR . 97.3 t -59.99 -34.42 56.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.672 179.291 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.7 -20.46 56.46 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.957 -0.565 . . . . 0.0 112.154 178.768 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 50.8 m -72.51 -22.22 61.07 Favored 'General case' 0 N--CA 1.445 -0.677 0 CA-C-O 120.773 0.321 . . . . 0.0 111.404 179.755 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 98.93 15.38 33.78 Favored Glycine 0 C--N 1.33 0.214 0 C-N-CA 120.531 -0.843 . . . . 0.0 112.067 -176.486 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.571 HG11 HG12 ' A' ' 65' ' ' VAL . 12.5 p -69.78 160.65 4.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 C-N-CA 122.574 0.35 . . . . 0.0 110.415 179.365 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 35.6 t -59.55 143.53 49.98 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 175.314 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 12.6 t -63.39 -36.9 85.26 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.485 -172.53 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -84.23 -31.41 25.04 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.96 0.409 . . . . 0.0 109.95 -178.449 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.535 ' HA ' ' CE1' ' A' ' 23' ' ' TYR . 37.9 tt0 -68.85 -31.76 70.95 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.318 0.58 . . . . 0.0 109.756 177.809 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.452 ' HB2' HG13 ' A' ' 70' ' ' VAL . . . -59.26 -36.43 75.49 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.286 -0.87 . . . . 0.0 111.489 177.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -57.96 -45.21 87.06 Favored 'General case' 0 N--CA 1.463 0.215 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.687 ' O ' ' HG ' ' A' ' 81' ' ' LEU . 39.1 mm -63.13 -56.04 19.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.857 -178.188 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . 0.503 ' HB2' ' HB1' ' A' ' 26' ' ' ALA . 8.9 tt0 -59.41 -44.85 92.78 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.831 -0.348 . . . . 0.0 111.109 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -59.44 -38.62 81.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.01 0.433 . . . . 0.0 110.869 179.729 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.587 ' O ' HD23 ' A' ' 84' ' ' LEU . 5.3 mt -70.75 -40.6 72.62 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.822 177.487 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.701 HD22 HG11 ' B' ' 115' ' ' VAL . 32.0 mt -69.45 -34.06 73.84 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 120.87 0.367 . . . . 0.0 110.932 -178.51 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.474 ' OE1' ' HD2' ' A' ' 38' ' ' ARG . 40.0 mt-10 -69.88 -14.79 62.91 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.794 171.383 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.489 HD22 HG12 ' A' ' 58' ' ' ILE . 43.1 tp -88.39 -43.99 11.09 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-O 121.256 0.551 . . . . 0.0 110.09 173.733 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.64 HD21 HD21 ' B' ' 84' ' ' LEU . 4.1 mm? -64.6 -9.37 18.87 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.309 -0.859 . . . . 0.0 111.915 -177.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 2.7 p -101.62 -18.84 15.7 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 120.783 0.325 . . . . 0.0 110.989 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.444 ' HB2' HG13 ' A' ' 39' ' ' VAL . . . -80.58 -49.71 10.95 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.562 0.696 . . . . 0.0 110.375 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.514 HD12 ' N ' ' A' ' 88' ' ' VAL . 1.1 pp -73.26 -22.25 60.43 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.057 -0.974 . . . . 0.0 112.836 -172.365 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.514 ' N ' HD12 ' A' ' 87' ' ' LEU . 22.5 m -87.15 -23.94 6.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 C-N-CA 120.596 -0.442 . . . . 0.0 110.593 177.551 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 76.9 t60 -69.45 -36.72 76.88 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.235 179.656 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.459 ' HA ' HG11 ' B' ' 99' ' ' VAL . 22.5 m -65.36 -26.82 40.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.484 -175.725 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.592 ' HA ' ' HB3' ' A' ' 94' ' ' ALA . 3.7 mm? -64.38 -25.17 67.91 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.6 -0.273 . . . . 0.0 111.282 -179.876 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 34.7 t -62.53 -28.33 69.78 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.096 0.475 . . . . 0.0 110.917 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.682 ' HB2' HG12 ' B' ' 99' ' ' VAL . 19.6 m -115.67 0.69 13.32 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.67 0.748 . . . . 0.0 110.702 -178.818 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.592 ' HB3' ' HA ' ' A' ' 91' ' ' LEU . . . -95.47 113.42 25.07 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-N 115.168 -0.924 . . . . 0.0 110.874 178.704 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 8.5 t -84.44 88.42 7.29 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 177.64 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.785 HD13 ' HB1' ' B' ' 47' ' ' ALA . 15.9 tt -70.17 135.18 28.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.268 179.739 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -84.02 -75.53 1.2 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.271 -177.503 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 39.0 t30 -154.49 139.05 16.88 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 176.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.489 ' CG1' HD11 ' A' ' 96' ' ' ILE . 4.9 m -123.21 138.86 51.72 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.806 0 CA-C-O 120.986 0.422 . . . . 0.0 110.505 178.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 16.8 m -112.63 148.93 33.58 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.238 -176.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . 0.453 ' HB3' ' HB2' ' B' ' 40' ' ' SER . 46.5 m -72.34 -9.05 57.99 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.215 0.531 . . . . 0.0 111.433 -177.483 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 43.8 t -84.96 101.65 9.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.042 -176.176 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 132.19 -12.95 5.24 Favored Glycine 0 N--CA 1.453 -0.196 0 C-N-CA 120.616 -0.802 . . . . 0.0 112.931 176.107 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 48.3 t -57.5 -33.54 44.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.585 0.231 . . . . 0.0 110.644 178.172 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -52.91 -39.95 63.16 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.376 178.338 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 12.6 m -77.62 -39.68 44.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.562 -0.744 . . . . 0.0 111.239 -177.537 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 30.4 m -60.61 -33.97 73.55 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-O 121.35 0.595 . . . . 0.0 110.597 178.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.53 HD21 HG21 ' B' ' 39' ' ' VAL . 3.0 mt -60.75 -24.53 65.8 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.422 -0.808 . . . . 0.0 111.772 178.5 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . 0.503 HD22 ' N ' ' A' ' 109' ' ' ASN . 0.8 OUTLIER -77.27 -17.75 58.14 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.909 0.385 . . . . 0.0 110.38 -179.85 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 38.9 t -90.78 -35.92 7.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.864 -176.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.462 HG11 ' OG ' ' B' ' 85' ' ' SER . 11.1 p -64.52 -25.29 37.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 121.325 0.583 . . . . 0.0 110.636 -179.421 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . 0.529 ' HG2' HG12 ' B' ' 27' ' ' VAL . 23.1 mt-30 -71.76 -18.68 62.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.475 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -84.27 -35.33 23.46 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.896 -175.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 10.4 p -78.64 -46.14 19.89 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.405 -0.816 . . . . 0.0 112.053 -172.211 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.555 HG11 HD22 ' B' ' 81' ' ' LEU . 14.8 p -107.39 -19.04 6.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-O 120.808 0.337 . . . . 0.0 111.46 -172.655 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -57.7 -27.46 58.95 Favored Glycine 0 C--O 1.228 -0.226 0 C-N-CA 121.159 -0.543 . . . . 0.0 112.901 -178.514 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -87.28 0.58 55.18 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 111.72 0.267 . . . . 0.0 111.72 -178.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 88.6 m-85 -110.81 -30.36 7.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.014 0.435 . . . . 0.0 109.951 176.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 34.0 m -91.23 -3.22 10.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.646 176.03 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.524 0 C-N-CA 121.016 -0.611 . . . . 0.0 111.893 178.862 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.537 0 N-CA-C 111.898 -0.481 . . . . 0.0 111.898 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' -4' ' ' SER . . . . . . . . . . . . . 39.5 m -110.83 159.14 17.93 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 110.032 -0.359 . . . . 0.0 110.032 178.509 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' -3' ' ' GLY . . . . . . . . . . . . . . . -124.0 164.44 17.26 Favored Glycine 0 N--CA 1.447 -0.6 0 C-N-CA 120.49 -0.862 . . . . 0.0 112.371 -179.003 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' -2' ' ' ASN . . . . . . . . . . . . . 16.2 t-20 -74.13 -42.51 59.9 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.137 0.494 . . . . 0.0 110.24 178.496 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' -1' ' ' SER . . . . . . . . . . . . . 15.2 p -138.76 154.15 48.5 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.123 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 44.5 t -83.82 96.51 4.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-O 121.055 0.455 . . . . 0.0 110.27 -179.67 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 41.3 p -81.35 165.02 21.73 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.577 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 6.2 p -60.62 -39.7 89.18 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.877 0.37 . . . . 0.0 110.805 179.297 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -77.78 -2.92 82.93 Favored Glycine 0 N--CA 1.452 -0.292 0 CA-C-N 115.985 -0.552 . . . . 0.0 112.462 179.126 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -77.36 -30.49 54.02 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 121.09 -0.576 . . . . 0.0 111.918 177.151 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 6' ' ' TYR . . . . . . . . . . . . . 27.4 p90 -112.83 -39.97 4.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.772 0.32 . . . . 0.0 111.071 177.772 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . 67.46 -154.19 52.93 Favored Glycine 0 N--CA 1.445 -0.764 0 C-N-CA 121.197 -0.525 . . . . 0.0 112.52 179.596 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 29.7 m-85 -77.05 -19.14 57.52 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 177.124 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -152.98 116.15 0.72 Allowed Glycine 0 N--CA 1.445 -0.749 0 CA-C-N 114.898 -1.047 . . . . 0.0 111.762 -172.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 67.8 p -77.78 -22.48 50.08 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.187 0.518 . . . . 0.0 111.214 -176.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 37.7 m -112.63 116.68 30.55 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.866 -174.741 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -83.15 94.77 7.92 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-O 121.152 0.501 . . . . 0.0 110.796 178.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -133.57 -176.93 4.32 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.617 177.829 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -76.7 50.73 0.71 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.09 0.472 . . . . 0.0 111.231 -179.51 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 97.36 107.22 2.5 Favored Glycine 0 N--CA 1.443 -0.834 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.956 179.439 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -175.1 82.73 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 175.108 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 57.23 52.67 50.1 Favored Glycine 0 N--CA 1.448 -0.544 0 N-CA-C 111.266 -0.734 . . . . 0.0 111.266 -170.081 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . 0.475 HG23 ' O ' ' B' ' 22' ' ' SER . 0.2 OUTLIER -88.37 -62.94 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 N-CA-C 112.761 0.652 . . . . 0.0 112.761 -173.034 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 19' ' ' ALA . . . . . 0.422 ' H ' HG23 ' B' ' 18' ' ' VAL . . . -104.3 -179.5 3.96 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 110.225 -0.287 . . . . 0.0 110.225 -177.15 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.63 -49.48 75.03 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.954 0.407 . . . . 0.0 110.871 -178.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -137.86 39.39 1.6 Allowed Glycine 0 N--CA 1.447 -0.618 0 C-N-CA 120.88 -0.676 . . . . 0.0 111.575 -178.531 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 22' ' ' SER . . . . . 0.475 ' O ' HG23 ' B' ' 18' ' ' VAL . 6.9 m -151.51 123.55 8.15 Favored 'General case' 0 C--N 1.314 -0.948 0 CA-C-N 115.397 -0.401 . . . . 0.0 110.355 179.667 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -148.17 123.22 10.09 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.794 -177.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -81.9 -17.23 47.94 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.527 -177.636 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -68.66 -26.74 74.29 Favored Glycine 0 CA--C 1.51 -0.271 0 C-N-CA 120.564 -0.827 . . . . 0.0 111.772 179.688 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 26' ' ' ALA . . . . . 0.407 ' HB1' ' N ' ' B' ' 78' ' ' GLN . . . -76.33 1.67 15.54 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.62 0.724 . . . . 0.0 110.247 176.128 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . 0.529 HG12 ' HG2' ' A' ' 112' ' ' GLN . 2.8 t -112.22 -36.23 2.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 115.103 -0.953 . . . . 0.0 109.636 178.298 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 70.7 m-20 -77.24 -14.49 59.75 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.736 -0.666 . . . . 0.0 111.367 -174.11 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 74.5 ttt180 -82.28 -7.31 59.63 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.286 0.565 . . . . 0.0 110.086 178.27 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . 0.574 HD11 ' HB3' ' B' ' 81' ' ' LEU . 82.2 mt -72.43 -30.42 64.6 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.187 -177.263 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 9.6 p -80.15 12.27 2.96 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.523 -178.359 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 45.2 t -102.1 160.97 14.05 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.154 178.479 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.42 -18.53 65.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.886 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -55.79 -61.24 2.5 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.437 177.244 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 35' ' ' ALA . . . . . 0.547 ' O ' HG23 ' B' ' 39' ' ' VAL . . . -61.12 -49.55 76.81 Favored 'General case' 0 CA--C 1.516 -0.36 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.604 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -51.58 -35.54 41.71 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.895 -176.742 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 39.8 m -80.02 -16.9 54.15 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 112.11 0.411 . . . . 0.0 112.11 -178.763 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 38' ' ' ARG . . . . . 0.544 ' HD2' ' OE1' ' B' ' 82' ' ' GLU . 73.9 mtt180 -96.49 -49.11 5.28 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 122.041 0.924 . . . . 0.0 109.191 179.767 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . 0.547 HG23 ' O ' ' B' ' 35' ' ' ALA . 48.2 t -60.73 -43.96 96.24 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.807 0 CA-C-N 113.902 -1.499 . . . . 0.0 111.202 -176.549 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 40' ' ' SER . . . . . 0.453 ' HB2' ' HB3' ' A' ' 101' ' ' SER . 94.8 p -73.5 -8.8 57.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.973 0.416 . . . . 0.0 111.437 -177.68 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 31.7 t -95.28 -2.26 49.74 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.217 179.659 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 48.8 m-80 -125.81 0.53 7.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.864 0.364 . . . . 0.0 111.22 -179.527 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 43' ' ' ILE . . . . . 0.498 HG13 ' N ' ' B' ' 44' ' ' ALA . 6.3 pt -61.71 -41.44 90.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.193 179.041 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . 0.498 ' N ' HG13 ' B' ' 43' ' ' ILE . . . -77.21 -15.97 59.26 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.006 0.431 . . . . 0.0 110.904 -175.099 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -77.24 -50.86 11.97 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.296 0.569 . . . . 0.0 110.027 179.814 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 46' ' ' ILE . . . . . 0.437 HG21 ' HB3' ' B' ' 87' ' ' LEU . 29.8 mt -67.14 -32.08 56.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.188 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . 0.785 ' HB1' HD13 ' A' ' 96' ' ' ILE . . . -64.37 -25.63 68.11 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.342 178.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 68.7 m -103.6 -6.65 21.46 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 112.369 0.507 . . . . 0.0 112.369 -176.419 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -124.73 -32.54 0.81 Allowed Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.101 -1.047 . . . . 0.0 113.23 -177.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 78.56 -78.37 1.64 Allowed Glycine 0 N--CA 1.444 -0.782 0 N-CA-C 111.122 -0.791 . . . . 0.0 111.122 -177.607 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -117.33 -20.98 8.92 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 120.88 0.371 . . . . 0.0 110.912 -178.514 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 14.6 p -72.3 -16.49 61.9 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.027 -176.575 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -92.55 -15.72 26.62 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.114 -177.63 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 54' ' ' LEU . . . . . 0.453 HD11 HG11 ' A' ' 88' ' ' VAL . 49.1 mt -53.42 -57.78 15.53 Favored Pre-proline 0 CA--C 1.534 0.356 0 N-CA-C 112.375 0.509 . . . . 0.0 112.375 -175.431 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 55' ' ' PRO . . . . . 0.424 ' HD2' ' N ' ' B' ' 54' ' ' LEU . 25.8 Cg_endo -62.93 -19.73 69.66 Favored 'Trans proline' 0 C--N 1.353 0.792 0 C-N-CA 122.221 1.947 . . . . 0.0 112.565 -176.748 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 14.9 m -91.88 -32.88 15.14 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.978 0.418 . . . . 0.0 111.039 -178.547 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 76.0 t -85.68 -37.46 11.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.403 -174.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 58' ' ' ILE . . . . . 0.507 HG12 HD22 ' B' ' 83' ' ' LEU . 70.3 mt -57.97 -41.85 81.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.291 176.028 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 18.6 t -67.06 -32.85 74.32 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.176 -177.669 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 88.7 m-20 -62.97 -51.43 66.9 Favored 'General case' 0 CA--C 1.519 -0.222 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.214 177.366 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . 0.409 ' O ' HG23 ' B' ' 65' ' ' VAL . 63.3 mt -73.96 -46.78 45.09 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-N 115.256 -0.883 . . . . 0.0 111.735 -176.027 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 62' ' ' TYR . . . . . 0.472 ' O ' HG23 ' B' ' 66' ' ' VAL . 42.1 t80 -55.08 -48.68 73.2 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.582 -0.281 . . . . 0.0 110.952 -177.626 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 33.3 t -61.63 -32.74 72.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.961 0.41 . . . . 0.0 110.471 179.338 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -71.67 -33.3 63.59 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.865 -0.683 . . . . 0.0 111.523 -179.602 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 65' ' ' VAL . . . . . 0.669 HG12 HG11 ' B' ' 70' ' ' VAL . 64.5 t -77.7 -45.82 27.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-O 120.774 0.321 . . . . 0.0 110.998 179.349 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 66' ' ' VAL . . . . . 0.472 HG23 ' O ' ' B' ' 62' ' ' TYR . 98.6 t -61.04 -30.27 47.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 120.912 0.387 . . . . 0.0 110.749 -178.809 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.57 -18.31 51.89 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 116.119 -0.491 . . . . 0.0 112.104 177.362 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 23.7 m -74.55 -19.17 60.44 Favored 'General case' 0 N--CA 1.448 -0.547 0 N-CA-C 112.057 0.391 . . . . 0.0 112.057 179.261 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 90.08 17.16 54.47 Favored Glycine 0 C--N 1.33 0.204 0 C-N-CA 120.586 -0.816 . . . . 0.0 111.473 -175.203 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.669 HG11 HG12 ' B' ' 65' ' ' VAL . 13.1 p -70.58 163.31 3.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 115.233 -0.483 . . . . 0.0 110.413 179.249 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 71' ' ' SER . . . . . 0.417 ' N ' HG22 ' B' ' 70' ' ' VAL . 42.6 t -60.21 138.72 57.87 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 173.746 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 24.4 t -57.97 -43.24 86.36 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.021 0.439 . . . . 0.0 110.999 -175.77 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -77.11 -28.45 54.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.468 -177.033 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -74.31 -32.47 62.87 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 176.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . 0.506 ' HB2' HG13 ' B' ' 70' ' ' VAL . . . -61.35 -35.96 78.88 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.811 176.581 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 76' ' ' LEU . . . . . 0.482 HD23 ' HB3' ' B' ' 118' ' ' TYR . 2.4 tm? -54.29 -50.72 66.66 Favored 'General case' 0 CA--C 1.519 -0.243 0 O-C-N 123.504 0.503 . . . . 0.0 109.682 176.417 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 77' ' ' ILE . . . . . 0.593 ' O ' ' HG ' ' B' ' 81' ' ' LEU . 36.3 mm -63.9 -53.91 38.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.9 -178.285 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 78' ' ' GLN . . . . . 0.407 ' N ' ' HB1' ' B' ' 26' ' ' ALA . 41.3 tp60 -53.08 -49.4 66.48 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-O 120.906 0.384 . . . . 0.0 110.915 179.23 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.88 -42.24 97.54 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.904 -178.471 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 80' ' ' LEU . . . . . 0.624 ' O ' HD23 ' B' ' 84' ' ' LEU . 2.1 mm? -62.05 -45.74 92.21 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.784 177.198 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . 0.593 ' HG ' ' O ' ' B' ' 77' ' ' ILE . 24.6 mt -67.55 -38.23 83.85 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 120.503 0.192 . . . . 0.0 111.387 -176.237 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 82' ' ' GLU . . . . . 0.544 ' OE1' ' HD2' ' B' ' 38' ' ' ARG . 43.3 mt-10 -59.82 -40.61 89.0 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.068 0.461 . . . . 0.0 110.081 172.21 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 83' ' ' LEU . . . . . 0.507 HD22 HG12 ' B' ' 58' ' ' ILE . 39.2 tp -63.15 -46.31 87.81 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 175.684 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 84' ' ' LEU . . . . . 0.64 HD21 HD21 ' A' ' 84' ' ' LEU . 4.0 mm? -62.17 -12.29 19.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.552 -179.029 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 85' ' ' SER . . . . . 0.462 ' OG ' HG11 ' A' ' 111' ' ' VAL . 23.3 m -92.86 -29.03 16.15 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 120.84 0.353 . . . . 0.0 110.661 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 86' ' ' ALA . . . . . 0.454 ' HB2' HG13 ' B' ' 39' ' ' VAL . . . -73.26 -43.78 60.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.479 0.657 . . . . 0.0 110.488 -177.008 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 87' ' ' LEU . . . . . 0.474 HD12 ' N ' ' B' ' 88' ' ' VAL . 1.4 pp -80.86 -18.72 46.4 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.335 -0.848 . . . . 0.0 113.161 -171.342 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 88' ' ' VAL . . . . . 0.474 ' N ' HD12 ' B' ' 87' ' ' LEU . 16.6 m -89.83 -26.88 5.25 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.261 0 C-N-CA 120.151 -0.62 . . . . 0.0 110.561 176.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 89' ' ' HIS . . . . . . . . . . . . . 71.4 t60 -65.41 -38.55 90.3 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.013 178.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 90' ' ' VAL . . . . . 0.461 ' HA ' HG11 ' A' ' 99' ' ' VAL . 33.2 m -64.61 -26.46 40.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.538 -175.132 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 91' ' ' LEU . . . . . 0.581 ' HA ' ' HB3' ' B' ' 94' ' ' ALA . 3.5 mm? -66.3 -22.04 66.28 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.09 179.519 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 34.7 t -66.19 -20.42 66.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.771 0.319 . . . . 0.0 110.973 -179.104 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 49.9 m -128.19 15.59 6.72 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-O 121.475 0.655 . . . . 0.0 110.565 177.613 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 94' ' ' ALA . . . . . 0.581 ' HB3' ' HA ' ' B' ' 91' ' ' LEU . . . -106.72 102.28 11.67 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.384 177.791 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 13.3 t -77.44 82.82 3.88 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.219 0.533 . . . . 0.0 109.584 179.647 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 96' ' ' ILE . . . . . 0.784 HD13 ' HB1' ' A' ' 47' ' ' ALA . 15.3 tt -64.87 146.31 13.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 115.547 -0.751 . . . . 0.0 111.14 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 97' ' ' GLY . . . . . . . . . . . . . . . -89.34 -102.46 1.06 Allowed Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 120.546 -0.835 . . . . 0.0 111.314 176.814 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 98' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -131.05 135.21 47.36 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 110.121 -0.326 . . . . 0.0 110.121 175.698 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 99' ' ' VAL . . . . . 0.682 HG12 ' HB2' ' A' ' 93' ' ' SER . 8.1 m -114.72 131.34 67.16 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.53 178.398 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 100' ' ' SER . . . . . . . . . . . . . 42.7 m -100.04 156.42 17.18 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.281 -179.676 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 17.7 m -79.38 23.98 0.37 Allowed 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.011 0.434 . . . . 0.0 112.039 -175.313 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 5.3 p -114.93 124.81 71.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-O 121.175 0.512 . . . . 0.0 110.574 -176.463 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . 114.3 -15.67 20.27 Favored Glycine 0 N--CA 1.45 -0.43 0 CA-C-N 115.617 -0.719 . . . . 0.0 112.356 177.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 104' ' ' VAL . . . . . . . . . . . . . 38.4 t -60.85 -31.79 50.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 N-CA-C 110.087 -0.338 . . . . 0.0 110.087 178.294 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -51.01 -40.7 58.81 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.122 176.551 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 20.0 m -84.35 -36.08 22.77 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.537 -0.756 . . . . 0.0 111.56 -178.134 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 25.9 m -61.66 -32.53 72.71 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.198 0.523 . . . . 0.0 110.505 178.653 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 108' ' ' LEU . . . . . 0.634 ' O ' HG12 ' B' ' 111' ' ' VAL . 4.1 mt -61.18 -38.15 85.47 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.208 176.419 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 109' ' ' ASN . . . . . . . . . . . . . 20.0 m-80 -64.09 -22.88 67.11 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.987 0.422 . . . . 0.0 111.12 178.667 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 110' ' ' VAL . . . . . . . . . . . . . 40.0 t -84.16 -38.26 13.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.616 -179.313 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 111' ' ' VAL . . . . . 0.634 HG12 ' O ' ' B' ' 108' ' ' LEU . 8.0 p -66.52 -28.32 42.98 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.183 0 CA-C-O 121.321 0.581 . . . . 0.0 110.25 -179.384 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 112' ' ' GLN . . . . . 0.552 ' HG3' ' O ' ' B' ' 108' ' ' LEU . 24.9 mt-30 -70.29 -24.6 63.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.652 179.33 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 113' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -82.87 -29.02 29.66 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.227 -0.897 . . . . 0.0 110.635 -173.274 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 12.1 p -88.46 -41.82 12.52 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.749 -0.659 . . . . 0.0 112.234 -173.678 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 115' ' ' VAL . . . . . 0.701 HG11 HD22 ' A' ' 81' ' ' LEU . 11.1 p -104.9 -19.97 6.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 120.932 0.396 . . . . 0.0 111.151 -173.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 116' ' ' GLY . . . . . . . . . . . . . . . -63.22 -18.72 60.9 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 121.193 -0.527 . . . . 0.0 112.838 -176.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 117' ' ' GLN . . . . . 0.402 HE21 ' HB2' ' B' ' 117' ' ' GLN . 0.0 OUTLIER -93.83 4.12 54.4 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.709 0.29 . . . . 0.0 111.209 179.793 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 118' ' ' TYR . . . . . 0.482 ' HB3' HD23 ' B' ' 76' ' ' LEU . 82.1 m-85 -116.11 -29.43 6.29 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.919 0.39 . . . . 0.0 110.406 177.774 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 119' ' ' VAL . . . . . 0.469 ' O ' ' HB3' ' A' ' 22' ' ' SER . 35.9 m -88.86 -0.58 8.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.866 176.875 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.51 -1.161 . . . . 0.0 111.409 178.791 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.76 0 N-CA-C 111.946 -0.462 . . . . 0.0 111.946 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 49.6 m -148.9 128.55 13.22 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.831 0.348 . . . . 0.0 110.642 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . 154.3 117.72 0.64 Allowed Glycine 0 N--CA 1.449 -0.448 0 N-CA-C 111.479 -0.648 . . . . 0.0 111.479 177.675 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' -2' ' ' ASN . . . . . . . . . . . . . 24.0 p-10 -145.21 122.15 11.33 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.232 0.539 . . . . 0.0 111.014 -177.705 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . 0.6 ' O ' ' HA ' ' B' ' -4' ' ' SER . 14.0 p -169.45 131.96 1.2 Allowed 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.581 179.106 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 19.3 m -131.56 150.74 34.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-O 120.715 0.293 . . . . 0.0 111.286 -177.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.2 p -85.75 92.97 8.76 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.211 174.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.5 m -71.51 144.29 49.68 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.461 -173.035 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -163.91 -135.37 1.81 Allowed Glycine 0 N--CA 1.444 -0.821 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.826 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -102.26 60.59 0.54 Allowed Glycine 0 N--CA 1.447 -0.624 0 C-N-CA 120.897 -0.668 . . . . 0.0 112.344 178.509 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 32.0 p90 -145.56 179.16 7.61 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.648 0.261 . . . . 0.0 110.619 179.624 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 135.89 -153.2 21.31 Favored Glycine 0 N--CA 1.447 -0.588 0 N-CA-C 111.35 -0.7 . . . . 0.0 111.35 -179.517 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 33.4 m-85 -82.56 -22.34 34.96 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.281 0.562 . . . . 0.0 110.055 177.21 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -114.39 55.7 0.52 Allowed Glycine 0 N--CA 1.442 -0.95 0 CA-C-N 115.573 -0.739 . . . . 0.0 111.58 178.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 14.8 p -53.74 -56.59 16.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.408 0.623 . . . . 0.0 110.044 176.208 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 60.0 m -128.83 126.92 40.85 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.281 -0.872 . . . . 0.0 109.082 171.498 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -74.11 81.12 1.75 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.281 0.562 . . . . 0.0 111.474 -177.592 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -158.69 18.87 0.21 Allowed 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.203 -0.908 . . . . 0.0 109.863 177.384 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -121.54 -175.3 3.05 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.642 -177.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.414 ' O ' ' HA3' ' A' ' 25' ' ' GLY . . . -165.73 83.09 0.1 Allowed Glycine 0 N--CA 1.446 -0.694 0 C-N-CA 120.433 -0.889 . . . . 0.0 112.969 -177.653 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.474 ' H ' HG13 ' A' ' 18' ' ' VAL . . . -176.23 95.39 0.06 Allowed 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 174.196 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 62.12 34.8 90.22 Favored Glycine 0 CA--C 1.521 0.464 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.209 -174.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.474 HG13 ' H ' ' A' ' 16' ' ' ALA . 2.5 m -71.62 -33.88 50.56 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.293 0 CA-C-O 120.882 0.372 . . . . 0.0 111.936 -176.514 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.436 ' HB3' ' HB2' ' A' ' 22' ' ' SER . . . -132.99 -176.8 4.24 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.187 -0.46 . . . . 0.0 109.967 179.533 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -67.58 -48.01 68.1 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.153 -177.729 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -131.27 11.27 5.56 Favored Glycine 0 CA--C 1.507 -0.413 0 C-N-CA 120.768 -0.73 . . . . 0.0 111.978 -178.453 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.465 ' HB3' ' O ' ' B' ' 119' ' ' VAL . 21.3 m -121.3 128.25 52.13 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.6 -0.3 . . . . 0.0 110.857 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -146.97 127.61 14.22 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 116.089 -0.505 . . . . 0.0 109.786 179.048 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -86.81 -15.3 39.65 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.686 -176.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.529 ' HA2' HD21 ' A' ' 28' ' ' ASN . . . -66.62 -31.68 79.28 Favored Glycine 0 CA--C 1.509 -0.297 0 C-N-CA 121.008 -0.615 . . . . 0.0 112.37 -178.877 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.598 ' HB1' ' HB2' ' A' ' 78' ' ' GLN . . . -71.76 -11.27 60.74 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.108 0.48 . . . . 0.0 110.583 179.35 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.1 t -98.1 -47.43 12.42 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.46 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.119 -172.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.529 HD21 ' HA2' ' A' ' 25' ' ' GLY . 7.2 p30 -77.75 2.72 16.1 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 120.212 -0.595 . . . . 0.0 111.655 -175.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 78.9 ttt180 -90.04 -12.92 37.11 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.537 0.684 . . . . 0.0 110.081 175.83 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.663 ' HB3' HD12 ' B' ' 108' ' ' LEU . 69.4 mt -70.95 -24.1 62.36 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.714 -174.594 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 23.2 t -72.73 -8.43 55.34 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.223 0.535 . . . . 0.0 110.274 -178.751 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 46.4 m -82.63 159.95 22.58 Favored 'General case' 0 N--CA 1.443 -0.797 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.05 176.54 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.74 -18.92 61.65 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 111.873 0.323 . . . . 0.0 111.873 -178.175 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -52.35 -59.23 4.66 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.082 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.679 ' O ' HG23 ' A' ' 39' ' ' VAL . . . -60.67 -57.17 13.83 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.592 179.104 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.96 -32.73 21.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 112.025 -175.774 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 22.3 t -73.93 -20.63 60.32 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.513 -178.731 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.546 ' HD2' ' OE1' ' A' ' 82' ' ' GLU . 56.2 mtt180 -100.82 -45.05 5.58 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.646 0.736 . . . . 0.0 109.469 -179.22 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.679 HG23 ' O ' ' A' ' 35' ' ' ALA . 28.1 t -58.95 -45.05 92.24 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 114.481 -1.236 . . . . 0.0 110.965 -177.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.47 ' HB2' ' CB ' ' B' ' 101' ' ' SER . 92.6 p -72.82 -13.19 61.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.874 0.369 . . . . 0.0 111.341 -177.675 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 12.3 t -89.72 -6.94 55.57 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.004 0.43 . . . . 0.0 110.255 -178.049 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 39.0 m-80 -122.41 -2.31 9.01 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.539 -176.557 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.501 HG13 ' N ' ' A' ' 44' ' ' ALA . 5.0 pt -60.43 -39.73 81.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.074 178.734 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.501 ' N ' HG13 ' A' ' 43' ' ' ILE . . . -80.05 -8.17 59.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.041 0.448 . . . . 0.0 111.008 -177.482 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -87.13 -50.51 6.57 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.123 179.263 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.423 HG21 ' HB3' ' A' ' 87' ' ' LEU . 39.0 mt -66.23 -34.21 68.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.361 179.582 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.627 ' HB1' HD13 ' B' ' 96' ' ' ILE . . . -62.5 -18.73 62.55 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.976 -0.557 . . . . 0.0 111.595 178.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 36.1 t -93.83 -46.97 6.96 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.157 -177.704 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -94.33 -22.79 23.73 Favored Glycine 0 CA--C 1.517 0.204 0 C-N-CA 120.26 -0.971 . . . . 0.0 113.427 -174.302 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 75.2 -75.16 1.37 Allowed Glycine 0 N--CA 1.45 -0.393 0 N-CA-C 111.534 -0.626 . . . . 0.0 111.534 -177.445 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -115.76 -27.51 7.02 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.189 0.519 . . . . 0.0 110.294 179.382 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 6.7 m -69.36 -12.7 61.89 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.665 -179.309 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.417 ' CB ' ' HA ' ' A' ' 46' ' ' ILE . . . -89.27 -15.43 33.54 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.72 -178.443 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.406 ' HB2' ' HD3' ' A' ' 55' ' ' PRO . 65.3 mt -57.95 -56.16 37.58 Favored Pre-proline 0 CA--C 1.539 0.525 0 CA-C-N 116.146 -0.479 . . . . 0.0 112.071 -177.668 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.406 ' HD3' ' HB2' ' A' ' 54' ' ' LEU . 30.6 Cg_endo -67.29 -5.29 13.49 Favored 'Trans proline' 0 C--N 1.355 0.879 0 C-N-CA 122.195 1.93 . . . . 0.0 112.813 -178.373 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 10.9 m -98.92 -47.55 5.22 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.312 0.577 . . . . 0.0 110.015 175.728 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 78.3 t -77.43 -40.91 29.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.925 -172.525 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.49 HG12 ' HG ' ' A' ' 83' ' ' LEU . 54.8 mt -58.13 -43.01 84.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.099 176.851 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 69.6 m -72.13 -25.28 61.66 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.329 -0.85 . . . . 0.0 110.853 -178.252 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 -70.69 -52.86 18.27 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.044 0.45 . . . . 0.0 110.451 175.391 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 63.8 mt -70.41 -43.71 77.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.811 -175.567 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.448 ' O ' HG23 ' A' ' 66' ' ' VAL . 69.0 t80 -54.47 -48.01 72.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.168 -178.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 43.9 t -57.52 -36.79 72.03 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.134 0.492 . . . . 0.0 110.432 178.464 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -70.11 -36.36 71.92 Favored Glycine 0 N--CA 1.45 -0.426 0 CA-C-N 115.551 -0.75 . . . . 0.0 111.919 -177.059 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.659 HG12 HG11 ' A' ' 70' ' ' VAL . 66.0 t -74.46 -44.48 47.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 115.611 -0.294 . . . . 0.0 110.874 -179.872 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.448 HG23 ' O ' ' A' ' 62' ' ' TYR . 91.9 t -61.72 -42.57 94.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.36 -177.848 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -69.63 -3.81 16.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.811 -179.354 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 35.5 t -85.54 -11.91 52.95 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.11 179.783 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 90.54 36.64 6.84 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.284 -0.96 . . . . 0.0 112.143 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.659 HG11 HG12 ' A' ' 65' ' ' VAL . 14.5 p -94.01 161.39 2.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 176.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 45.3 t -61.97 147.84 45.71 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.711 0.291 . . . . 0.0 110.292 176.821 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 6.7 m -53.98 -57.84 9.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.014 -0.539 . . . . 0.0 112.258 -173.311 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -76.67 -26.96 55.37 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.079 0.466 . . . . 0.0 110.258 -174.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -70.86 -28.79 64.84 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.261 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.533 ' HB2' HG13 ' A' ' 70' ' ' VAL . . . -60.1 -39.87 87.66 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.681 -0.69 . . . . 0.0 111.393 177.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.449 HD23 ' HB3' ' A' ' 118' ' ' TYR . 2.7 tm? -54.28 -48.35 71.32 Favored 'General case' 0 CA--C 1.519 -0.233 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 177.815 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.716 ' O ' ' HG ' ' A' ' 81' ' ' LEU . 30.6 mm -63.61 -56.03 19.31 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 CA-C-N 115.343 -0.844 . . . . 0.0 111.313 -176.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . 0.598 ' HB2' ' HB1' ' A' ' 26' ' ' ALA . 52.0 tt0 -55.69 -48.71 74.64 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-O 120.895 0.379 . . . . 0.0 110.918 -178.833 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.46 -37.98 82.72 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.158 -179.282 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.488 ' O ' HD23 ' A' ' 84' ' ' LEU . 2.6 mm? -68.13 -35.05 77.49 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-O 120.697 0.284 . . . . 0.0 111.016 175.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.716 ' HG ' ' O ' ' A' ' 77' ' ' ILE . 65.7 mt -69.06 -37.2 78.4 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.058 0.456 . . . . 0.0 110.452 179.139 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.546 ' OE1' ' HD2' ' A' ' 38' ' ' ARG . 55.8 mt-10 -73.69 -17.28 61.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.293 0.568 . . . . 0.0 110.58 175.422 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.49 ' HG ' HG12 ' A' ' 58' ' ' ILE . 3.4 tm? -84.63 -43.09 14.74 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.993 -0.548 . . . . 0.0 109.73 176.338 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.488 HD23 ' O ' ' A' ' 80' ' ' LEU . 3.7 mm? -69.69 -3.63 16.07 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.517 -0.765 . . . . 0.0 112.334 -176.653 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -101.61 -32.08 10.52 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 120.759 0.314 . . . . 0.0 111.189 -179.768 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -66.69 -44.7 81.02 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.265 0.555 . . . . 0.0 110.96 -177.618 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.495 HD12 ' N ' ' A' ' 88' ' ' VAL . 1.0 OUTLIER -78.95 -21.05 47.77 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.605 -0.725 . . . . 0.0 112.76 -173.097 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.569 HG11 HD11 ' B' ' 54' ' ' LEU . 17.2 m -87.87 -25.78 5.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 C-N-CA 120.32 -0.552 . . . . 0.0 110.634 178.367 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 69.1 t60 -69.48 -35.57 75.7 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.486 179.189 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.485 ' HA ' HG11 ' B' ' 99' ' ' VAL . 25.7 m -66.7 -28.92 44.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.484 -175.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.621 ' HA ' ' HB3' ' A' ' 94' ' ' ALA . 3.0 mm? -61.22 -28.52 69.21 Favored 'General case' 0 CA--C 1.52 -0.178 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.987 178.89 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 66.9 m -54.96 -33.27 62.19 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.824 -0.626 . . . . 0.0 111.588 -179.416 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 10.7 t -119.12 10.85 12.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.503 0.668 . . . . 0.0 110.003 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.621 ' HB3' ' HA ' ' A' ' 91' ' ' LEU . . . -98.5 98.39 9.58 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.782 -0.645 . . . . 0.0 109.874 177.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 25.9 t -71.56 86.58 0.89 Allowed 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.918 -0.583 . . . . 0.0 109.764 178.35 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.662 HD13 ' HB1' ' B' ' 47' ' ' ALA . 15.7 tt -65.53 140.65 19.29 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.383 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.84 178.297 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -86.43 -88.83 0.99 Allowed Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.4 -179.153 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 9.5 t30 -144.87 117.18 8.46 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.725 0.298 . . . . 0.0 110.488 -179.784 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.459 HG13 HD11 ' A' ' 96' ' ' ILE . 2.8 m -106.58 161.62 5.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.704 178.344 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 36.5 m -148.91 161.9 40.94 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 -179.498 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . 0.426 ' HB3' ' HB2' ' B' ' 40' ' ' SER . 16.3 m -77.18 41.14 0.29 Allowed 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.019 0.438 . . . . 0.0 111.545 -176.003 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 56.4 t -114.76 112.33 39.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.846 -175.277 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 100.26 0.12 55.87 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.753 -0.737 . . . . 0.0 113.71 175.458 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.446 ' O ' HD23 ' A' ' 108' ' ' LEU . 11.1 t -62.54 -31.23 51.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 117.253 0.527 . . . . 0.0 110.559 -179.188 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -50.05 -44.2 51.43 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-O 121.388 0.613 . . . . 0.0 110.717 177.572 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 20.0 m -74.49 -25.47 59.39 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.637 -0.71 . . . . 0.0 111.507 -178.208 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 20.5 m -70.29 -38.45 75.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.918 0.389 . . . . 0.0 110.208 -179.631 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.701 HD12 ' HB3' ' B' ' 30' ' ' LEU . 4.5 mm? -58.37 -33.52 69.68 Favored 'General case' 0 C--O 1.223 -0.328 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.801 177.618 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 14.5 m-80 -71.35 -23.17 61.86 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.868 -178.756 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 38.9 t -86.56 -36.91 10.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-O 120.756 0.312 . . . . 0.0 110.762 -177.37 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.576 HG12 ' O ' ' A' ' 108' ' ' LEU . 9.4 p -63.42 -28.28 44.7 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.337 0 CA-C-O 121.423 0.63 . . . . 0.0 110.611 -178.669 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . 0.554 ' HG3' ' O ' ' A' ' 108' ' ' LEU . 22.7 mt-30 -67.5 -21.02 65.52 Favored 'General case' 0 CA--C 1.518 -0.265 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.947 -179.238 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -79.02 -39.83 32.99 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.583 -177.159 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 5.3 m -77.02 -44.94 28.98 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.131 -0.941 . . . . 0.0 111.934 -170.561 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.673 HG11 HD22 ' B' ' 81' ' ' LEU . 12.8 p -106.48 -18.16 7.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 121.09 0.471 . . . . 0.0 111.376 -172.827 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -63.52 -17.0 59.37 Favored Glycine 0 CA--C 1.517 0.21 0 CA-C-N 116.078 -0.51 . . . . 0.0 113.193 -177.291 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -92.54 1.98 56.95 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.829 0.315 . . . . 0.0 111.239 179.589 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . 0.449 ' HB3' HD23 ' A' ' 76' ' ' LEU . 79.6 m-85 -113.79 -36.72 4.75 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.241 0.543 . . . . 0.0 109.685 178.678 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.432 HG21 HG21 ' B' ' 27' ' ' VAL . 33.9 m -84.44 -3.54 8.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.913 178.579 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.57 0 C-N-CA 121.01 -0.614 . . . . 0.0 111.611 179.904 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.398 0 N-CA-C 112.163 -0.375 . . . . 0.0 112.163 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' -4' ' ' SER . . . . . 0.6 ' HA ' ' O ' ' A' ' -1' ' ' SER . 50.3 m -139.97 127.98 22.21 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.154 0.502 . . . . 0.0 111.245 178.379 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' -3' ' ' GLY . . . . . . . . . . . . . . . -175.63 157.74 24.33 Favored Glycine 0 N--CA 1.448 -0.554 0 N-CA-C 110.701 -0.96 . . . . 0.0 110.701 -179.272 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' -2' ' ' ASN . . . . . . . . . . . . . 4.5 p-10 -137.53 124.91 21.9 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 117.342 0.571 . . . . 0.0 111.371 -176.137 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' -1' ' ' SER . . . . . . . . . . . . . 13.1 p -165.97 101.45 0.66 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.511 175.477 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 31.1 m -129.13 150.55 34.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.478 178.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 7.9 p -96.46 82.28 3.36 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.357 0.599 . . . . 0.0 111.871 -177.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 19.3 m -100.7 107.11 18.64 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.075 176.592 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -115.87 -111.95 2.78 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.255 -178.528 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -76.16 -5.13 80.36 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 121.087 -0.578 . . . . 0.0 112.502 179.754 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 6' ' ' TYR . . . . . . . . . . . . . 54.2 p90 -132.03 148.98 52.53 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.8 -0.445 . . . . 0.0 109.8 178.043 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -169.4 -125.14 0.78 Allowed Glycine 0 N--CA 1.446 -0.651 0 C-N-CA 120.85 -0.69 . . . . 0.0 111.652 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -71.05 -42.14 69.84 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.242 0.544 . . . . 0.0 109.578 179.434 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -118.08 99.29 0.8 Allowed Glycine 0 N--CA 1.445 -0.701 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.693 177.806 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 39.5 p -83.11 -20.48 34.76 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.099 0.476 . . . . 0.0 111.18 -177.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 69.6 m -141.66 139.21 32.94 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.804 -0.634 . . . . 0.0 109.572 177.714 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -88.72 0.16 56.73 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.936 0.398 . . . . 0.0 111.492 -175.218 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -86.17 -9.16 57.11 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.657 176.809 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -88.09 163.0 16.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.387 178.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . -162.35 94.21 0.12 Allowed Glycine 0 N--CA 1.443 -0.858 0 C-N-CA 119.891 -1.147 . . . . 0.0 113.653 -177.162 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 16' ' ' ALA . . . . . 0.466 ' H ' HG13 ' B' ' 18' ' ' VAL . . . 175.45 91.43 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 123.54 0.736 . . . . 0.0 109.292 174.356 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 55.17 53.33 41.19 Favored Glycine 0 N--CA 1.453 -0.191 0 C-N-CA 120.747 -0.739 . . . . 0.0 111.684 -172.293 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . 0.466 HG13 ' H ' ' B' ' 16' ' ' ALA . 2.6 m -88.6 -42.52 14.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 N-CA-C 111.968 0.359 . . . . 0.0 111.968 -175.636 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 19' ' ' ALA . . . . . 0.403 ' HB3' ' HB2' ' B' ' 22' ' ' SER . . . -126.61 -179.94 5.03 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 110.037 -0.357 . . . . 0.0 110.037 -178.761 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.55 -53.04 54.1 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.95 0.405 . . . . 0.0 110.925 -179.02 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -131.42 39.54 1.76 Allowed Glycine 0 N--CA 1.448 -0.528 0 C-N-CA 120.924 -0.655 . . . . 0.0 111.619 -178.012 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 22' ' ' SER . . . . . 0.403 ' HB2' ' HB3' ' B' ' 19' ' ' ALA . 6.4 m -152.39 124.98 8.32 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.349 -0.426 . . . . 0.0 110.3 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 23' ' ' TYR . . . . . 0.529 ' CE1' ' HA ' ' B' ' 74' ' ' GLU . 0.1 OUTLIER -148.8 119.32 7.41 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.084 -0.507 . . . . 0.0 109.889 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -79.99 -11.99 59.74 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.823 179.395 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . 0.456 ' HA2' ' ND2' ' B' ' 28' ' ' ASN . . . -66.24 -34.25 87.54 Favored Glycine 0 CA--C 1.505 -0.575 0 N-CA-C 111.541 -0.624 . . . . 0.0 111.541 176.793 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 26' ' ' ALA . . . . . 0.449 ' HB1' ' HB2' ' B' ' 78' ' ' GLN . . . -75.43 1.61 13.55 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.037 0.446 . . . . 0.0 110.887 178.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . 0.476 ' O ' ' HG ' ' B' ' 30' ' ' LEU . 2.3 t -114.8 -48.93 4.98 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.494 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.9 -177.872 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 28' ' ' ASN . . . . . 0.456 ' ND2' ' HA2' ' B' ' 25' ' ' GLY . 9.1 p30 -75.46 -4.68 41.01 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.303 -0.559 . . . . 0.0 110.966 -175.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 78.9 ttt180 -91.65 -4.31 55.35 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.377 0.608 . . . . 0.0 110.034 175.778 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . 0.701 ' HB3' HD12 ' A' ' 108' ' ' LEU . 84.6 mt -70.04 -33.71 72.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.168 -178.414 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 32.8 t -71.1 -6.18 37.3 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.64 -178.265 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 70.8 m -77.2 151.78 35.06 Favored 'General case' 0 N--CA 1.442 -0.841 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.58 176.78 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.31 -23.07 62.14 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.309 -179.265 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -49.71 -56.17 11.17 Favored 'General case' 0 CA--C 1.515 -0.384 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.031 177.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 35' ' ' ALA . . . . . 0.548 ' O ' HG23 ' B' ' 39' ' ' VAL . . . -68.37 -56.01 9.98 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.686 -178.611 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -48.38 -40.38 25.51 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 112.419 0.526 . . . . 0.0 112.419 -175.462 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 23.9 t -67.78 -28.53 67.68 Favored 'General case' 0 CA--C 1.538 0.49 0 N-CA-C 111.787 0.291 . . . . 0.0 111.787 -178.48 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 38' ' ' ARG . . . . . 0.408 HH11 ' HD2' ' B' ' 38' ' ' ARG . 44.7 mtm105 -96.05 -39.43 9.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.285 0.564 . . . . 0.0 109.98 -176.641 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . 0.548 HG23 ' O ' ' B' ' 35' ' ' ALA . 67.8 t -59.77 -41.93 87.13 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-N 115.103 -0.953 . . . . 0.0 110.53 176.881 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 40' ' ' SER . . . . . 0.464 ' O ' HG12 ' B' ' 43' ' ' ILE . 93.7 p -76.71 -8.32 57.04 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.714 -177.681 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 23.1 t -93.82 -6.28 46.22 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.351 0.596 . . . . 0.0 109.788 178.503 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 39.7 m-80 -118.93 -4.05 10.67 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.869 -177.612 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 43' ' ' ILE . . . . . 0.536 HG13 ' N ' ' B' ' 44' ' ' ALA . 5.8 pt -60.32 -39.64 81.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 121.039 0.447 . . . . 0.0 110.746 176.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . 0.536 ' N ' HG13 ' B' ' 43' ' ' ILE . . . -82.05 -3.83 55.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.69 -176.367 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -92.16 -53.1 4.38 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.221 178.747 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 46' ' ' ILE . . . . . 0.415 ' HA ' ' CB ' ' B' ' 53' ' ' ALA . 44.5 mt -63.35 -37.13 78.71 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.392 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . 0.662 ' HB1' HD13 ' A' ' 96' ' ' ILE . . . -61.02 -25.45 66.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.142 0.496 . . . . 0.0 111.642 -179.296 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 27.3 t -97.69 -7.35 31.06 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.471 -175.472 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -121.11 -32.65 1.04 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.372 -0.918 . . . . 0.0 112.899 -177.539 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 81.95 -71.29 2.98 Favored Glycine 0 N--CA 1.446 -0.687 0 N-CA-C 111.658 -0.577 . . . . 0.0 111.658 -178.221 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -126.74 -28.28 2.99 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.662 0.267 . . . . 0.0 111.199 -179.145 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 34.4 p -74.01 -7.77 53.68 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.168 0.508 . . . . 0.0 110.954 -177.616 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . 0.415 ' CB ' ' HA ' ' B' ' 46' ' ' ILE . . . -88.82 -17.65 29.31 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.632 178.868 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 54' ' ' LEU . . . . . 0.569 HD11 HG11 ' A' ' 88' ' ' VAL . 28.6 mt -56.11 -57.05 24.66 Favored Pre-proline 0 CA--C 1.534 0.346 0 CA-C-N 116.301 -0.409 . . . . 0.0 112.04 -178.008 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 55' ' ' PRO . . . . . 0.459 ' HD2' ' N ' ' B' ' 54' ' ' LEU . 20.9 Cg_endo -61.77 -16.11 46.75 Favored 'Trans proline' 0 C--N 1.35 0.645 0 C-N-CA 122.274 1.982 . . . . 0.0 112.493 -176.869 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 6.3 m -94.05 -45.23 7.67 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.498 179.23 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 68.1 t -76.89 -40.49 31.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.582 -173.774 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 58' ' ' ILE . . . . . 0.529 HG12 ' HG ' ' B' ' 83' ' ' LEU . 73.3 mt -59.1 -35.24 56.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.444 175.178 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 17.6 t -69.64 -44.02 71.44 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-N 115.501 -0.772 . . . . 0.0 109.972 -179.371 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 89.3 m-20 -58.39 -49.46 77.16 Favored 'General case' 0 CA--C 1.52 -0.21 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.672 179.635 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . 0.486 ' O ' HG23 ' B' ' 65' ' ' VAL . 63.5 mt -70.62 -48.1 60.57 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-N 115.347 -0.842 . . . . 0.0 111.606 -177.049 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 62' ' ' TYR . . . . . 0.434 ' O ' HG23 ' B' ' 66' ' ' VAL . 58.0 t80 -53.81 -51.53 63.21 Favored 'General case' 0 N--CA 1.465 0.314 0 O-C-N 123.151 0.282 . . . . 0.0 111.356 -178.387 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 10.0 t -60.34 -33.18 72.04 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.232 0.539 . . . . 0.0 110.148 -178.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -71.9 -32.12 63.96 Favored Glycine 0 N--CA 1.451 -0.33 0 CA-C-N 115.75 -0.659 . . . . 0.0 112.069 -179.255 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 65' ' ' VAL . . . . . 0.702 HG12 HG11 ' B' ' 70' ' ' VAL . 60.6 t -78.03 -43.3 28.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-O 120.889 0.376 . . . . 0.0 110.598 179.566 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 66' ' ' VAL . . . . . 0.434 HG23 ' O ' ' B' ' 62' ' ' TYR . 92.2 t -61.58 -40.29 86.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.122 -178.449 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -66.55 -13.92 61.63 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-O 120.905 0.383 . . . . 0.0 111.828 179.515 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 34.8 t -76.72 -18.15 58.67 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.121 -178.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 94.69 39.33 4.7 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.332 -0.937 . . . . 0.0 111.953 -177.541 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.702 HG11 HG12 ' B' ' 65' ' ' VAL . 14.1 p -93.54 162.46 2.4 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 176.636 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 34.7 t -64.33 141.92 58.6 Favored 'General case' 0 N--CA 1.451 -0.393 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 174.747 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 8.7 m -52.65 -45.55 66.77 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 112.562 0.579 . . . . 0.0 112.562 -173.068 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -85.09 -23.8 28.35 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.725 -0.39 . . . . 0.0 110.7 -176.451 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 74' ' ' GLU . . . . . 0.529 ' HA ' ' CE1' ' B' ' 23' ' ' TYR . 39.9 tt0 -71.92 -29.89 64.78 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-O 121.181 0.515 . . . . 0.0 109.772 178.261 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . 0.419 ' HB2' HG13 ' B' ' 70' ' ' VAL . . . -57.51 -38.06 74.02 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-N 115.348 -0.842 . . . . 0.0 111.397 177.331 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 76' ' ' LEU . . . . . 0.511 HD23 ' HB3' ' B' ' 118' ' ' TYR . 2.6 tm? -55.88 -51.4 67.71 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.045 0.45 . . . . 0.0 109.827 179.617 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 77' ' ' ILE . . . . . 0.643 ' O ' ' HG ' ' B' ' 81' ' ' LEU . 35.5 mm -62.19 -52.7 57.14 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 115.562 -0.745 . . . . 0.0 111.099 -176.197 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 78' ' ' GLN . . . . . 0.449 ' HB2' ' HB1' ' B' ' 26' ' ' ALA . 29.9 tt0 -57.95 -47.99 81.26 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 121.017 -0.273 . . . . 0.0 110.648 179.68 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -59.19 -41.46 88.55 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.914 0.388 . . . . 0.0 110.903 -178.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 80' ' ' LEU . . . . . 0.694 ' O ' ' HG ' ' B' ' 84' ' ' LEU . 3.6 mm? -67.18 -43.52 81.97 Favored 'General case' 0 C--O 1.22 -0.451 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.249 178.273 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . 0.673 HD22 HG11 ' A' ' 115' ' ' VAL . 13.3 mt -66.23 -41.74 89.64 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.926 0.393 . . . . 0.0 111.261 -176.717 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 91.6 mt-10 -63.43 -37.0 85.59 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.403 0.621 . . . . 0.0 109.882 174.427 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 83' ' ' LEU . . . . . 0.529 ' HG ' HG12 ' B' ' 58' ' ' ILE . 3.4 tm? -62.31 -44.46 96.47 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.121 175.888 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 84' ' ' LEU . . . . . 0.694 ' HG ' ' O ' ' B' ' 80' ' ' LEU . 14.0 mt -63.1 -17.92 62.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.852 -178.087 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 27.8 m -89.38 -30.39 18.41 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 120.788 0.327 . . . . 0.0 110.75 -175.47 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -68.59 -42.91 77.55 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.311 0.576 . . . . 0.0 110.558 -177.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 87' ' ' LEU . . . . . 0.566 HD12 ' N ' ' B' ' 88' ' ' VAL . 1.8 pp -81.2 -25.46 36.73 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 112.885 0.698 . . . . 0.0 112.885 -172.126 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 88' ' ' VAL . . . . . 0.566 ' N ' HD12 ' B' ' 87' ' ' LEU . 17.8 m -83.7 -22.16 8.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 C-N-CA 120.243 -0.583 . . . . 0.0 110.509 176.672 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 89' ' ' HIS . . . . . . . . . . . . . 72.1 t60 -68.71 -39.72 80.31 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.202 178.299 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 90' ' ' VAL . . . . . 0.562 HG22 ' O ' ' B' ' 87' ' ' LEU . 17.7 m -62.51 -26.57 40.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.533 -175.872 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 91' ' ' LEU . . . . . 0.64 ' HA ' ' HB3' ' B' ' 94' ' ' ALA . 3.0 mm? -63.11 -23.38 67.42 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.239 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 27.9 t -58.19 -31.24 67.11 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.884 178.819 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 63.9 m -125.53 20.6 7.92 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-O 121.159 0.504 . . . . 0.0 110.698 179.027 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 94' ' ' ALA . . . . . 0.64 ' HB3' ' HA ' ' B' ' 91' ' ' LEU . . . -110.62 99.38 8.35 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.407 177.546 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 8.6 t -76.57 85.43 3.25 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.202 -0.454 . . . . 0.0 109.92 179.549 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 96' ' ' ILE . . . . . 0.627 HD13 ' HB1' ' A' ' 47' ' ' ALA . 15.2 tt -65.48 137.67 24.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.876 179.268 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 97' ' ' GLY . . . . . . . . . . . . . . . -84.34 -88.01 0.85 Allowed Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.535 -0.841 . . . . 0.0 112.463 -177.81 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 98' ' ' ASN . . . . . . . . . . . . . 9.3 t30 -151.35 113.69 4.58 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.79 0.329 . . . . 0.0 110.648 -178.316 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 99' ' ' VAL . . . . . 0.485 HG11 ' HA ' ' A' ' 90' ' ' VAL . 7.2 m -102.69 140.43 21.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.556 -177.338 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 100' ' ' SER . . . . . . . . . . . . . 25.0 m -110.1 161.16 15.82 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.259 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 101' ' ' SER . . . . . 0.47 ' CB ' ' HB2' ' A' ' 40' ' ' SER . 3.4 p -82.59 6.56 17.26 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.128 0.489 . . . . 0.0 111.68 -177.606 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 54.8 t -92.11 113.9 28.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.696 -179.082 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . 114.82 -6.68 22.13 Favored Glycine 0 N--CA 1.448 -0.519 0 CA-C-N 115.662 -0.699 . . . . 0.0 112.661 174.642 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 104' ' ' VAL . . . . . . . . . . . . . 23.5 t -64.25 -32.87 59.23 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.152 0 N-CA-C 110.068 -0.345 . . . . 0.0 110.068 178.83 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -49.14 -41.68 36.97 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.945 179.316 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 14.9 m -75.33 -27.84 59.39 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.463 -178.44 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 24.7 m -73.46 -29.43 62.53 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.993 0.425 . . . . 0.0 110.22 -175.693 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 108' ' ' LEU . . . . . 0.663 HD12 ' HB3' ' A' ' 30' ' ' LEU . 4.1 mm? -59.98 -39.81 87.0 Favored 'General case' 0 C--O 1.223 -0.32 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.522 175.421 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 109' ' ' ASN . . . . . . . . . . . . . 12.7 m-80 -65.1 -25.32 67.73 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.376 -178.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 110' ' ' VAL . . . . . . . . . . . . . 25.9 t -84.83 -36.05 10.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.912 0.387 . . . . 0.0 110.978 -178.191 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 111' ' ' VAL . . . . . 0.653 HG12 ' O ' ' B' ' 108' ' ' LEU . 10.0 p -65.12 -30.37 50.11 Favored 'Isoleucine or valine' 0 C--O 1.234 0.269 0 CA-C-O 121.255 0.55 . . . . 0.0 109.902 178.797 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 112' ' ' GLN . . . . . 0.615 ' HG3' ' O ' ' B' ' 108' ' ' LEU . 24.3 mt-30 -65.24 -28.51 69.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.428 -0.806 . . . . 0.0 110.534 178.653 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 113' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -82.66 -29.9 29.67 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.554 -176.152 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 114' ' ' SER . . . . . 0.439 ' OG ' ' HD3' ' B' ' 55' ' ' PRO . 13.3 m -78.73 -47.64 16.46 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.146 -0.933 . . . . 0.0 111.54 -173.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 115' ' ' VAL . . . . . 0.431 HG12 ' O ' ' B' ' 111' ' ' VAL . 11.7 p -109.3 -17.2 8.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 121.082 0.468 . . . . 0.0 111.309 -173.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 116' ' ' GLY . . . . . . . . . . . . . . . -59.38 -25.61 60.71 Favored Glycine 0 C--O 1.229 -0.186 0 CA-C-N 116.034 -0.53 . . . . 0.0 112.905 -178.732 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -88.7 5.8 41.55 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.556 0.217 . . . . 0.0 111.517 -179.018 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 118' ' ' TYR . . . . . 0.511 ' HB3' HD23 ' B' ' 76' ' ' LEU . 65.2 m-85 -117.62 -27.08 6.39 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.12 0.486 . . . . 0.0 109.827 177.201 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 119' ' ' VAL . . . . . 0.465 ' O ' ' HB3' ' A' ' 22' ' ' SER . 31.0 m -87.8 0.15 7.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.067 173.127 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.23 0 CA-C-O 118.199 -1.334 . . . . 0.0 110.879 175.711 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.898 0 N-CA-C 111.937 -0.465 . . . . 0.0 111.937 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 16.6 p -82.82 137.03 34.46 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.886 0.375 . . . . 0.0 110.732 179.596 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . 165.18 -162.7 35.96 Favored Glycine 0 N--CA 1.447 -0.569 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.157 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' -2' ' ' ASN . . . . . . . . . . . . . 45.7 m-80 -110.9 168.33 9.56 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.667 0.27 . . . . 0.0 110.324 -178.221 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 21.1 m -72.56 98.04 2.24 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.868 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 6.1 m -137.77 113.61 10.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.644 176.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 13.4 t -166.61 144.82 5.28 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.588 176.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.5 p -103.71 7.34 37.29 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.883 175.137 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 84.66 160.58 32.16 Favored Glycine 0 N--CA 1.447 -0.573 0 CA-C-N 115.614 -0.721 . . . . 0.0 112.2 -179.454 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 96.57 -20.43 50.51 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.724 -0.75 . . . . 0.0 113.149 176.375 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.565 ' HA ' HG22 ' A' ' 10' ' ' THR . 21.2 p90 -138.9 171.85 13.72 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.871 0.367 . . . . 0.0 111.408 -177.849 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 149.19 -124.24 1.77 Allowed Glycine 0 N--CA 1.447 -0.615 0 N-CA-C 111.178 -0.769 . . . . 0.0 111.178 -176.298 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 79.5 m-85 -80.04 -37.79 33.29 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.056 0.455 . . . . 0.0 110.43 176.466 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -141.12 118.1 1.32 Allowed Glycine 0 N--CA 1.444 -0.789 0 N-CA-C 111.284 -0.726 . . . . 0.0 111.284 -179.19 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.565 HG22 ' HA ' ' A' ' 6' ' ' TYR . 26.9 p -81.86 63.71 6.23 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 120.789 0.328 . . . . 0.0 111.443 -176.301 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 49.3 m 58.04 32.77 22.42 Favored 'General case' 0 CA--C 1.52 -0.175 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.812 -177.641 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -90.95 133.47 35.24 Favored 'General case' 0 N--CA 1.442 -0.84 0 CA-C-N 115.144 -0.935 . . . . 0.0 109.716 179.39 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.83 89.31 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.375 0 O-C-N 123.889 0.743 . . . . 0.0 111.509 179.531 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -168.36 173.58 7.57 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 108.421 -0.955 . . . . 0.0 108.421 -179.634 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.565 ' HA3' ' H ' ' A' ' 25' ' ' GLY . . . -164.04 115.43 0.65 Allowed Glycine 0 N--CA 1.442 -0.949 0 C-N-CA 118.881 -1.628 . . . . 0.0 114.246 -178.236 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 179.77 75.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.733 -0.84 . . . . 0.0 108.733 174.076 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 61.69 37.14 93.75 Favored Glycine 0 CA--C 1.522 0.472 0 C-N-CA 120.635 -0.793 . . . . 0.0 111.566 -171.776 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 4.3 m -78.18 -26.99 14.5 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.261 0 CA-C-O 120.893 0.378 . . . . 0.0 111.525 -175.787 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.437 ' HB3' ' HB2' ' A' ' 22' ' ' SER . . . -142.1 176.71 8.75 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.061 -0.518 . . . . 0.0 109.731 178.608 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.559 ' HB3' ' O ' ' B' ' 20' ' ' ALA . . . -78.83 -25.66 44.14 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 120.86 -0.336 . . . . 0.0 110.96 -178.811 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.519 ' HA3' ' CA ' ' B' ' 21' ' ' GLY . . . -145.92 31.59 1.6 Allowed Glycine 0 C--N 1.332 0.351 0 C-N-CA 120.89 -0.672 . . . . 0.0 112.287 177.437 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.437 ' HB2' ' HB3' ' A' ' 19' ' ' ALA . 34.8 m -146.54 121.55 10.05 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 110.083 -0.34 . . . . 0.0 110.083 177.046 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.674 ' CE1' ' HA ' ' A' ' 74' ' ' GLU . 0.0 OUTLIER -156.73 120.71 4.33 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.032 -177.434 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.418 ' N ' ' HA3' ' A' ' 15' ' ' GLY . . . -77.85 -22.62 49.62 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.368 -179.741 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.565 ' H ' ' HA3' ' A' ' 15' ' ' GLY . . . -62.0 -32.71 83.14 Favored Glycine 0 N--CA 1.453 -0.225 0 C-N-CA 120.959 -0.639 . . . . 0.0 111.916 -178.616 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.496 ' HB1' ' HB2' ' A' ' 78' ' ' GLN . . . -69.19 -15.56 63.42 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.11 0.481 . . . . 0.0 110.418 179.381 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.426 HG12 ' HG2' ' B' ' 112' ' ' GLN . 2.9 t -93.94 -42.83 13.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.431 -178.208 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.413 HD22 ' HA2' ' A' ' 25' ' ' GLY . 51.6 m-80 -64.39 -34.5 78.32 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 121.045 0.45 . . . . 0.0 110.881 -177.044 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 71.1 ttt180 -63.33 -19.15 64.37 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.416 -178.097 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.759 ' HB3' HD12 ' B' ' 108' ' ' LEU . 89.5 mt -61.92 -30.32 70.82 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.965 -176.688 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 28.3 p -78.96 5.42 11.67 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.01 0.433 . . . . 0.0 111.528 -176.1 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 50.2 m -95.04 160.48 14.55 Favored 'General case' 0 N--CA 1.441 -0.904 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 174.559 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.65 -17.0 53.62 Favored 'General case' 0 N--CA 1.466 0.363 0 N-CA-C 112.586 0.587 . . . . 0.0 112.586 -175.259 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -56.74 -61.09 2.67 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.592 -0.276 . . . . 0.0 111.132 -179.354 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.683 ' O ' HG23 ' A' ' 39' ' ' VAL . . . -56.6 -59.98 4.21 Favored 'General case' 0 CA--C 1.515 -0.389 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.772 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -47.07 -34.91 6.33 Favored 'General case' 0 C--N 1.33 -0.243 0 O-C-N 123.543 0.527 . . . . 0.0 112.252 -175.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 9.6 t -67.8 -32.75 73.52 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.484 -178.379 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 84.6 mtt-85 -95.08 -36.42 11.52 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.382 0.611 . . . . 0.0 109.817 -177.006 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.683 HG23 ' O ' ' A' ' 35' ' ' ALA . 41.5 t -61.14 -46.08 97.32 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-N 115.227 -0.897 . . . . 0.0 110.664 178.844 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 80.8 p -74.67 -6.17 47.26 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.541 -178.481 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 38.0 t -92.41 -11.23 35.41 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.589 179.322 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 42.9 m-80 -118.67 0.36 11.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.967 0.413 . . . . 0.0 111.064 -176.533 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.453 HG13 ' N ' ' A' ' 44' ' ' ALA . 4.6 pt -61.35 -40.32 85.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.022 177.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.453 ' N ' HG13 ' A' ' 43' ' ' ILE . . . -81.1 -3.96 53.73 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.086 0.47 . . . . 0.0 111.032 -178.139 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -86.72 -52.5 5.48 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.28 0.562 . . . . 0.0 109.673 176.635 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 50.4 mt -65.04 -36.03 76.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.632 179.806 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.653 ' HB1' HD13 ' B' ' 96' ' ' ILE . . . -64.87 -14.05 58.33 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.729 -178.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 29.8 t -103.66 -28.04 11.93 Favored 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 121.027 -0.269 . . . . 0.0 111.469 -178.191 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -109.49 -21.77 7.07 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.33 -0.938 . . . . 0.0 113.359 -175.619 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 74.86 -80.45 0.93 Allowed Glycine 0 N--CA 1.447 -0.588 0 N-CA-C 111.204 -0.758 . . . . 0.0 111.204 -178.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -114.08 -23.21 9.64 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-O 121.203 0.525 . . . . 0.0 110.177 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 8.9 t -78.84 3.04 17.97 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.502 -176.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.42 ' O ' HG23 ' A' ' 57' ' ' VAL . . . -101.63 -20.15 15.15 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.184 177.359 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.432 ' N ' ' HD2' ' A' ' 55' ' ' PRO . 54.9 mt -52.54 -57.97 13.62 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 115.679 -0.692 . . . . 0.0 111.978 -175.713 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.432 ' HD2' ' N ' ' A' ' 54' ' ' LEU . 18.1 Cg_endo -61.37 -23.73 77.36 Favored 'Trans proline' 0 C--N 1.353 0.784 0 C-N-CA 122.075 1.85 . . . . 0.0 112.419 -176.558 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 20.8 m -87.41 -38.15 16.4 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.901 -178.446 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.42 HG23 ' O ' ' A' ' 53' ' ' ALA . 78.4 t -77.99 -40.48 26.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.034 -175.743 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.5 HG12 HD22 ' A' ' 83' ' ' LEU . 69.8 mt -56.68 -42.73 77.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.114 174.41 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 32.9 t -67.89 -37.73 82.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.427 -178.345 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 86.8 m-20 -58.12 -55.79 30.39 Favored 'General case' 0 CA--C 1.516 -0.346 0 CA-C-O 121.347 0.594 . . . . 0.0 110.237 177.609 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.502 ' O ' HG23 ' A' ' 65' ' ' VAL . 57.7 mt -69.44 -47.24 73.65 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-N 115.178 -0.919 . . . . 0.0 111.554 -176.197 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.474 ' O ' HG23 ' A' ' 66' ' ' VAL . 53.7 t80 -51.83 -59.56 4.17 Favored 'General case' 0 N--CA 1.466 0.354 0 O-C-N 123.061 0.225 . . . . 0.0 111.393 -177.402 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 17.9 t -62.34 -26.77 68.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.093 0.473 . . . . 0.0 110.739 -177.026 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -71.25 -45.43 48.71 Favored Glycine 0 N--CA 1.447 -0.594 0 C-N-CA 120.868 -0.682 . . . . 0.0 111.543 177.185 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.654 HG12 HG11 ' A' ' 70' ' ' VAL . 58.7 t -68.72 -41.14 82.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.686 -0.257 . . . . 0.0 111.09 -179.736 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.474 HG23 ' O ' ' A' ' 62' ' ' TYR . 84.3 t -59.07 -43.81 90.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.979 0.419 . . . . 0.0 110.339 178.784 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -75.24 -0.27 18.94 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.302 179.364 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.444 ' HB3' ' O ' ' A' ' 65' ' ' VAL . 48.2 t -90.43 -11.57 40.04 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.76 178.263 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 104.81 21.33 9.17 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.104 -1.046 . . . . 0.0 113.342 177.633 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.654 HG11 HG12 ' A' ' 65' ' ' VAL . 7.3 p -86.95 163.94 2.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 177.218 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 9.0 t -70.79 153.92 42.32 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 174.521 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 8.4 p -57.37 -62.44 1.77 Allowed 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 112.678 0.621 . . . . 0.0 112.678 -171.386 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -71.76 -28.44 63.65 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.048 0.451 . . . . 0.0 110.369 -176.734 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.674 ' HA ' ' CE1' ' A' ' 23' ' ' TYR . 39.1 tt0 -64.53 -28.83 69.91 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.257 179.506 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.438 ' HB2' ' CG1' ' A' ' 70' ' ' VAL . . . -63.02 -32.45 73.82 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.339 -0.846 . . . . 0.0 111.423 177.878 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -58.29 -48.66 79.78 Favored 'General case' 0 CA--C 1.518 -0.276 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 179.157 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.725 ' O ' ' HG ' ' A' ' 81' ' ' LEU . 30.8 mm -62.77 -55.71 22.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.92 -178.897 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . 0.496 ' HB2' ' HB1' ' A' ' 26' ' ' ALA . 9.2 tt0 -56.96 -48.07 79.22 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 121.072 -0.251 . . . . 0.0 111.465 179.314 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.16 -38.01 81.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.704 0.288 . . . . 0.0 111.04 -178.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.727 ' O ' ' HG ' ' A' ' 84' ' ' LEU . 10.0 mt -69.11 -44.26 72.79 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.894 176.584 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.725 ' HG ' ' O ' ' A' ' 77' ' ' ILE . 61.2 mt -61.4 -37.83 84.86 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.84 0.353 . . . . 0.0 110.849 179.712 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -68.69 -25.7 64.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.937 175.207 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.5 HD22 HG12 ' A' ' 58' ' ' ILE . 26.3 tp -77.64 -40.86 40.4 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.038 0.447 . . . . 0.0 110.256 175.746 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.727 ' HG ' ' O ' ' A' ' 80' ' ' LEU . 15.7 mt -63.44 -16.23 59.99 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.383 -0.826 . . . . 0.0 111.366 -176.177 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.4 p -96.83 -23.59 16.3 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.706 0.289 . . . . 0.0 111.372 -176.701 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -74.75 -45.42 44.05 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.423 0.63 . . . . 0.0 110.371 -179.607 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.509 HD12 ' N ' ' A' ' 88' ' ' VAL . 1.3 pp -77.47 -22.13 51.82 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.384 -0.826 . . . . 0.0 112.66 -172.673 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.509 ' N ' HD12 ' A' ' 87' ' ' LEU . 14.4 m -85.69 -22.78 7.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 C-N-CA 120.26 -0.576 . . . . 0.0 110.817 177.873 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 72.6 t60 -71.34 -37.69 71.69 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.178 178.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.453 HG22 ' O ' ' A' ' 87' ' ' LEU . 22.5 m -65.17 -26.71 40.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.484 -174.885 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.591 ' HA ' ' HB3' ' A' ' 94' ' ' ALA . 3.9 mm? -65.99 -21.07 66.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.566 -0.288 . . . . 0.0 111.409 179.026 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 32.4 t -66.55 -26.69 67.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.947 0.403 . . . . 0.0 110.572 179.2 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.623 ' HB2' HG12 ' B' ' 99' ' ' VAL . 61.1 m -108.89 -17.61 13.88 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.677 0.751 . . . . 0.0 110.131 -179.224 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.591 ' HB3' ' HA ' ' A' ' 91' ' ' LEU . . . -83.91 100.24 10.88 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.09 -0.959 . . . . 0.0 111.182 179.828 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 9.2 t -80.52 91.4 5.77 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 177.506 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.674 HD11 HG13 ' A' ' 99' ' ' VAL . 9.2 tt -64.68 147.55 12.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.419 -0.81 . . . . 0.0 112.248 -178.246 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -89.75 -89.72 1.25 Allowed Glycine 0 N--CA 1.45 -0.41 0 CA-C-N 115.895 -0.593 . . . . 0.0 112.29 176.055 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 8.5 t30 -147.61 108.51 4.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.955 0.377 . . . . 0.0 111.125 -178.336 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.674 HG13 HD11 ' A' ' 96' ' ' ILE . 3.2 m -91.61 147.34 5.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.286 179.551 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 57.7 m -117.45 158.33 24.69 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.447 -179.739 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 4.2 p -76.4 -10.95 59.78 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.231 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 23.8 t -81.74 109.21 15.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.956 -176.488 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 123.15 -15.78 8.2 Favored Glycine 0 N--CA 1.448 -0.524 0 CA-C-N 115.606 -0.724 . . . . 0.0 112.819 174.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 37.0 t -58.27 -33.31 46.95 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.194 0 CA-C-O 120.876 0.37 . . . . 0.0 110.112 179.271 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -49.0 -45.24 42.08 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.313 -0.858 . . . . 0.0 111.156 179.573 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 35.4 t -73.88 -26.06 60.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.784 -179.349 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 14.1 m -71.42 -30.25 65.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.271 0.557 . . . . 0.0 109.544 -178.091 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.558 HD12 ' HB3' ' B' ' 30' ' ' LEU . 4.1 mm? -62.79 -32.06 73.16 Favored 'General case' 0 C--O 1.223 -0.308 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.832 175.542 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . 0.492 HD22 ' N ' ' A' ' 109' ' ' ASN . 0.9 OUTLIER -71.12 -29.84 65.76 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.945 0.403 . . . . 0.0 110.28 -178.07 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 23.2 t -80.92 -39.08 17.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.965 -176.364 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.556 HG12 ' O ' ' A' ' 108' ' ' LEU . 9.8 p -60.81 -29.49 45.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 121.175 0.512 . . . . 0.0 110.639 -178.3 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . 0.515 ' HG3' ' O ' ' A' ' 108' ' ' LEU . 26.0 mt-30 -65.38 -35.55 81.31 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.622 -179.463 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -66.07 -36.34 82.94 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.164 -0.926 . . . . 0.0 110.812 -175.57 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 4.0 m -78.39 -34.54 48.06 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.225 -0.898 . . . . 0.0 112.515 -170.625 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.675 HG11 HD22 ' B' ' 81' ' ' LEU . 14.9 p -113.35 -23.88 4.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 N-CA-C 112.344 0.498 . . . . 0.0 112.344 -170.037 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -56.15 -30.41 57.72 Favored Glycine 0 C--N 1.332 0.361 0 C-N-CA 121.386 -0.435 . . . . 0.0 113.407 -175.419 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . 0.407 HE21 ' HB2' ' A' ' 117' ' ' GLN . 0.0 OUTLIER -79.33 -5.28 54.17 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 111.971 0.36 . . . . 0.0 111.971 -176.577 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 80.5 m-85 -108.78 -33.52 6.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.772 0.32 . . . . 0.0 110.848 178.697 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.4 ' O ' ' HB3' ' B' ' 22' ' ' SER . 29.6 m -84.86 -5.0 9.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.374 -179.44 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . 0.417 ' O ' ' HA ' ' B' ' 11' ' ' SER . . . . . . . . 0 N--CA 1.45 -0.371 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.74 179.654 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.245 0 N-CA-C 112.14 -0.384 . . . . 0.0 112.14 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' -4' ' ' SER . . . . . . . . . . . . . 3.6 p -70.37 141.41 52.21 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.638 0.256 . . . . 0.0 111.089 -179.029 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' -3' ' ' GLY . . . . . . . . . . . . . . . 143.43 -101.17 0.26 Allowed Glycine 0 N--CA 1.447 -0.575 0 N-CA-C 111.499 -0.64 . . . . 0.0 111.499 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' -2' ' ' ASN . . . . . . . . . . . . . 3.8 p-10 -154.7 142.06 19.58 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.821 0.343 . . . . 0.0 110.303 178.051 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' -1' ' ' SER . . . . . . . . . . . . . 21.0 m -90.45 131.56 36.14 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.249 -177.193 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 8.7 m -121.39 34.83 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.237 178.278 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 46.1 p -97.72 133.89 41.64 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.938 -179.073 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 69.1 m -83.2 -39.05 21.47 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.834 0.35 . . . . 0.0 110.51 175.674 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . 131.85 161.93 10.27 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.958 -0.639 . . . . 0.0 111.83 -179.631 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . 97.24 6.23 57.79 Favored Glycine 0 N--CA 1.453 -0.217 0 C-N-CA 120.44 -0.886 . . . . 0.0 113.246 177.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 6' ' ' TYR . . . . . . . . . . . . . 4.9 p90 -147.6 -76.77 0.17 Allowed 'General case' 0 C--N 1.328 -0.327 0 O-C-N 122.611 -0.346 . . . . 0.0 111.275 178.035 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . 61.86 -141.87 47.79 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.692 -0.766 . . . . 0.0 111.733 -178.793 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 8' ' ' TYR . . . . . 0.445 ' HB2' ' O ' ' B' ' 18' ' ' VAL . 97.4 m-85 -100.19 2.18 42.68 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.01 0.434 . . . . 0.0 110.062 176.461 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -129.52 74.91 0.43 Allowed Glycine 0 N--CA 1.448 -0.515 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.677 -177.125 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 28.4 p -81.89 45.94 0.95 Allowed 'General case' 0 C--N 1.321 -0.648 0 C-N-CA 122.378 0.271 . . . . 0.0 111.274 -177.564 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 11' ' ' SER . . . . . 0.417 ' HA ' ' O ' ' A' ' 120' ' ' GLY . 55.5 m 62.27 95.48 0.04 OUTLIER 'General case' 0 C--O 1.233 0.217 0 CA-C-O 121.446 0.641 . . . . 0.0 111.038 -174.421 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -148.59 140.96 24.21 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.817 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.79 77.82 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.586 0 O-C-N 123.608 0.567 . . . . 0.0 111.203 175.032 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -163.54 164.68 24.19 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.671 -0.862 . . . . 0.0 108.671 178.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 15' ' ' GLY . . . . . 0.439 ' HA3' ' N ' ' B' ' 25' ' ' GLY . . . -175.34 101.77 0.16 Allowed Glycine 0 N--CA 1.443 -0.884 0 C-N-CA 119.325 -1.417 . . . . 0.0 113.637 -176.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -177.53 87.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 123.262 0.625 . . . . 0.0 109.367 173.193 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 60.02 39.38 95.61 Favored Glycine 0 CA--C 1.521 0.444 0 C-N-CA 120.564 -0.827 . . . . 0.0 111.584 -172.18 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . 0.445 ' O ' ' HB2' ' B' ' 8' ' ' TYR . 0.6 OUTLIER -77.29 -42.44 30.85 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.311 0 CA-C-O 120.912 0.387 . . . . 0.0 112.024 -175.962 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -144.76 140.57 28.61 Favored 'General case' 0 C--N 1.316 -0.873 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 -178.134 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . 0.559 ' O ' ' HB3' ' A' ' 20' ' ' ALA . . . -71.21 65.69 0.4 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.27 0.557 . . . . 0.0 110.875 179.528 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . 0.519 ' CA ' ' HA3' ' A' ' 21' ' ' GLY . . . 160.37 -34.53 0.43 Allowed Glycine 0 N--CA 1.44 -1.035 0 CA-C-N 115.489 -0.778 . . . . 0.0 112.306 -178.259 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 22' ' ' SER . . . . . 0.43 ' O ' HG23 ' B' ' 18' ' ' VAL . 15.1 m -127.24 131.71 50.53 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.927 0.394 . . . . 0.0 111.639 -178.057 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -151.71 130.0 12.02 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.859 -0.61 . . . . 0.0 109.819 179.459 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -84.51 -22.89 30.03 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.829 0.347 . . . . 0.0 110.966 176.78 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . 0.439 ' N ' ' HA3' ' B' ' 15' ' ' GLY . . . -65.56 -28.12 73.28 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.831 -0.699 . . . . 0.0 112.492 -178.403 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 26' ' ' ALA . . . . . 0.496 ' HB1' ' HB2' ' B' ' 78' ' ' GLN . . . -68.43 -16.78 64.03 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.48 0.657 . . . . 0.0 110.255 177.318 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . 0.485 HG22 ' CD1' ' B' ' 81' ' ' LEU . 2.9 t -94.78 -37.35 7.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.045 179.462 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 66.0 m-20 -76.88 -10.46 59.39 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.584 -0.735 . . . . 0.0 111.257 -174.696 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 79.8 ttt180 -90.47 -3.3 57.75 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.406 0.622 . . . . 0.0 110.193 178.63 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . 0.558 ' HB3' HD12 ' A' ' 108' ' ' LEU . 90.6 mt -74.59 -29.34 61.28 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.899 -176.226 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 5.1 p -71.73 -8.96 57.35 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.049 0.452 . . . . 0.0 111.32 -179.083 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 71.1 m -74.39 154.99 38.57 Favored 'General case' 0 N--CA 1.442 -0.851 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.776 176.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.4 -20.44 63.06 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.924 178.545 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -49.93 -60.82 2.56 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.734 177.239 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 35' ' ' ALA . . . . . 0.643 ' O ' HG23 ' B' ' 39' ' ' VAL . . . -63.49 -54.28 38.82 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.947 -179.086 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -48.83 -33.47 10.59 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 112.466 0.543 . . . . 0.0 112.466 -176.326 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 33.9 m -76.32 -23.71 54.28 Favored 'General case' 0 CA--C 1.536 0.405 0 N-CA-C 112.025 0.379 . . . . 0.0 112.025 -179.114 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 38' ' ' ARG . . . . . 0.418 HH11 ' HD3' ' B' ' 38' ' ' ARG . 53.0 mtm-85 -96.07 -43.4 7.79 Favored 'General case' 0 CA--C 1.514 -0.427 0 CA-C-O 121.604 0.716 . . . . 0.0 109.725 -177.67 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . 0.643 HG23 ' O ' ' B' ' 35' ' ' ALA . 36.0 t -59.62 -42.29 87.82 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.847 0 CA-C-N 114.681 -1.145 . . . . 0.0 110.848 -179.544 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 40' ' ' SER . . . . . 0.472 ' O ' HG12 ' B' ' 43' ' ' ILE . 69.8 p -74.09 -13.02 60.77 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.627 -178.42 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 22.2 t -88.34 -12.99 41.83 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.191 0.519 . . . . 0.0 110.021 -178.388 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 42.7 m-80 -115.94 -3.29 12.16 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.19 -175.036 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 43' ' ' ILE . . . . . 0.486 HG13 ' N ' ' B' ' 44' ' ' ALA . 4.3 pt -60.54 -42.55 91.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 120.904 0.383 . . . . 0.0 111.093 178.803 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . 0.486 ' N ' HG13 ' B' ' 43' ' ' ILE . . . -77.07 -11.75 59.85 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.098 0.475 . . . . 0.0 110.87 -177.099 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -83.69 -53.29 5.75 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.952 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 46' ' ' ILE . . . . . 0.45 ' HA ' ' HB3' ' B' ' 53' ' ' ALA . 46.1 mt -64.65 -36.3 77.1 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.238 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.546 179.858 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.83 -21.84 66.22 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.699 -178.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 33.1 t -93.67 -40.44 10.25 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.132 -177.606 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -96.26 -19.88 26.92 Favored Glycine 0 CA--C 1.52 0.344 0 C-N-CA 120.449 -0.882 . . . . 0.0 113.261 -175.702 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 72.31 -75.16 0.82 Allowed Glycine 0 N--CA 1.451 -0.325 0 N-CA-C 111.498 -0.641 . . . . 0.0 111.498 -178.22 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -117.95 -23.12 7.58 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-O 120.986 0.422 . . . . 0.0 110.494 179.17 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 46.7 m -71.44 -14.44 62.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.968 -177.821 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . 0.45 ' HB3' ' HA ' ' B' ' 46' ' ' ILE . . . -89.52 -17.55 28.4 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.899 -178.511 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 54' ' ' LEU . . . . . 0.473 HD11 HG11 ' A' ' 88' ' ' VAL . 46.8 mt -53.65 -57.31 17.88 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 115.911 -0.586 . . . . 0.0 112.08 -176.494 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 55' ' ' PRO . . . . . 0.411 ' HD2' ' N ' ' B' ' 54' ' ' LEU . 36.0 Cg_endo -65.94 -7.04 15.68 Favored 'Trans proline' 0 C--N 1.354 0.817 0 C-N-CA 122.186 1.924 . . . . 0.0 112.9 -175.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 20.1 m -104.36 -37.13 7.34 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.969 0.414 . . . . 0.0 110.747 177.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 55.4 t -80.52 -39.43 18.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.406 -174.69 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 58' ' ' ILE . . . . . 0.596 HG12 HD22 ' B' ' 83' ' ' LEU . 54.6 mt -61.0 -38.68 80.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.877 177.889 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 22.8 t -66.99 -39.71 87.21 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.182 179.688 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 96.7 m-20 -58.09 -53.82 53.89 Favored 'General case' 0 CA--C 1.518 -0.286 0 CA-C-O 121.425 0.631 . . . . 0.0 110.643 178.595 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . 0.459 ' O ' HG23 ' B' ' 65' ' ' VAL . 54.8 mt -70.56 -46.34 70.43 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 115.205 -0.907 . . . . 0.0 111.4 -176.306 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 62' ' ' TYR . . . . . 0.561 ' O ' HG23 ' B' ' 66' ' ' VAL . 67.6 t80 -54.33 -59.32 4.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.078 -178.127 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 7.6 t -65.11 -27.15 68.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.482 -177.097 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -65.62 -42.99 95.2 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.874 -0.679 . . . . 0.0 111.566 177.358 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 65' ' ' VAL . . . . . 0.66 HG12 HG11 ' B' ' 70' ' ' VAL . 52.3 t -71.3 -42.71 74.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 120.874 0.369 . . . . 0.0 110.527 177.659 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 66' ' ' VAL . . . . . 0.561 HG23 ' O ' ' B' ' 62' ' ' TYR . 99.1 t -58.01 -33.73 47.06 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.249 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.033 -179.525 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.25 -23.48 64.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.7 178.836 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 40.1 t -74.32 -11.17 60.19 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 116.582 -0.281 . . . . 0.0 111.169 -178.794 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 95.06 25.77 13.8 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.604 -0.808 . . . . 0.0 112.199 178.275 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.66 HG11 HG12 ' B' ' 65' ' ' VAL . 14.9 p -90.38 155.12 3.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 N-CA-C 109.94 -0.393 . . . . 0.0 109.94 179.77 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 36.9 t -60.12 137.73 58.04 Favored 'General case' 0 N--CA 1.453 -0.325 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 174.545 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 27.1 m -54.96 -39.76 69.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.87 0.367 . . . . 0.0 111.763 -176.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -72.21 -37.38 69.23 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.752 -177.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -71.6 -34.96 70.32 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 176.72 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . 0.604 ' HB2' HG13 ' B' ' 70' ' ' VAL . . . -61.05 -40.32 93.18 Favored 'General case' 0 C--O 1.224 -0.265 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.742 175.318 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 76' ' ' LEU . . . . . 0.465 HD23 ' HB3' ' B' ' 118' ' ' TYR . 3.3 tm? -51.02 -53.16 35.94 Favored 'General case' 0 CA--C 1.519 -0.232 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.852 177.866 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 77' ' ' ILE . . . . . 0.727 ' O ' ' HG ' ' B' ' 81' ' ' LEU . 36.1 mm -60.96 -53.72 45.3 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-N 115.306 -0.861 . . . . 0.0 111.104 -178.199 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 78' ' ' GLN . . . . . 0.496 ' HB2' ' HB1' ' B' ' 26' ' ' ALA . 49.7 tt0 -57.79 -48.41 79.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.861 0.362 . . . . 0.0 111.029 -179.202 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.26 -39.8 94.1 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.294 -177.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 80' ' ' LEU . . . . . 0.712 ' O ' ' HG ' ' B' ' 84' ' ' LEU . 2.8 mm? -62.42 -38.41 89.57 Favored 'General case' 0 C--O 1.221 -0.446 0 C-N-CA 121.068 -0.253 . . . . 0.0 110.627 175.48 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . 0.727 ' HG ' ' O ' ' B' ' 77' ' ' ILE . 26.8 mt -74.75 -35.48 62.61 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 120.84 0.352 . . . . 0.0 111.0 -178.095 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -66.13 -23.85 66.57 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.357 0.599 . . . . 0.0 110.121 171.563 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 83' ' ' LEU . . . . . 0.596 HD22 HG12 ' B' ' 58' ' ' ILE . 40.2 tp -79.27 -43.73 23.12 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.666 176.01 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 84' ' ' LEU . . . . . 0.712 ' HG ' ' O ' ' B' ' 80' ' ' LEU . 13.6 mt -66.08 -9.17 28.5 Favored 'General case' 0 C--O 1.223 -0.341 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.362 -175.028 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 1.6 p -99.27 -26.62 14.11 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.127 179.827 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 86' ' ' ALA . . . . . 0.423 ' O ' HG13 ' B' ' 90' ' ' VAL . . . -72.45 -44.94 61.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.415 0.626 . . . . 0.0 110.469 -178.389 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 87' ' ' LEU . . . . . 0.481 HD12 HG13 ' B' ' 88' ' ' VAL . 1.2 pp -80.48 -12.53 59.53 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.358 -0.837 . . . . 0.0 112.608 -172.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 88' ' ' VAL . . . . . 0.481 HG13 HD12 ' B' ' 87' ' ' LEU . 16.3 m -97.29 -24.31 4.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 C-N-CA 120.516 -0.474 . . . . 0.0 110.675 176.355 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 89' ' ' HIS . . . . . . . . . . . . . 68.2 t60 -69.05 -31.15 69.72 Favored 'General case' 0 N--CA 1.449 -0.511 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 177.661 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 90' ' ' VAL . . . . . 0.659 ' HA ' HG11 ' A' ' 99' ' ' VAL . 21.8 m -64.22 -27.2 42.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 C-N-CA 120.63 -0.428 . . . . 0.0 110.98 -177.248 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 91' ' ' LEU . . . . . 0.541 ' HA ' ' HB3' ' B' ' 94' ' ' ALA . 4.0 mm? -65.75 -20.14 66.16 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.977 179.139 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 34.8 t -62.42 -25.91 68.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.894 178.696 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 21.0 t -129.87 12.82 5.77 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.183 0.516 . . . . 0.0 110.436 179.655 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 94' ' ' ALA . . . . . 0.541 ' HB3' ' HA ' ' B' ' 91' ' ' LEU . . . -106.11 92.23 4.06 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.192 178.138 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 1.4 m -64.22 93.03 0.09 Allowed 'General case' 0 N--CA 1.429 -1.502 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.51 176.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 96' ' ' ILE . . . . . 0.653 HD13 ' HB1' ' A' ' 47' ' ' ALA . 18.7 tt -78.92 147.2 6.97 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.627 0 CA-C-O 120.818 0.342 . . . . 0.0 110.77 -179.195 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 97' ' ' GLY . . . . . . . . . . . . . . . -92.56 -112.07 1.99 Allowed Glycine 0 N--CA 1.446 -0.67 0 C-N-CA 120.5 -0.857 . . . . 0.0 111.849 178.846 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 98' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -125.41 103.71 8.05 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 110.165 -0.309 . . . . 0.0 110.165 -179.738 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 99' ' ' VAL . . . . . 0.623 HG12 ' HB2' ' A' ' 93' ' ' SER . 14.3 m -82.73 141.68 14.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-O 121.095 0.474 . . . . 0.0 110.766 179.872 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 100' ' ' SER . . . . . . . . . . . . . 15.0 m -108.72 155.08 21.14 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.948 -178.702 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 46.7 m -83.9 31.6 0.48 Allowed 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 120.954 0.407 . . . . 0.0 110.971 -178.492 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 40.3 t -118.81 117.43 54.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.584 -0.28 . . . . 0.0 110.445 -177.816 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . 115.62 -14.68 17.51 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 121.011 -0.614 . . . . 0.0 112.388 176.674 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 104' ' ' VAL . . . . . 0.429 ' O ' HD23 ' B' ' 108' ' ' LEU . 17.8 t -60.16 -31.68 48.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.889 0.376 . . . . 0.0 110.036 -179.604 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -52.53 -42.98 64.84 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.761 179.554 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 23.3 t -77.56 -23.2 50.11 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.487 -179.084 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 14.2 m -71.96 -32.73 67.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.918 0.39 . . . . 0.0 110.461 -178.848 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 108' ' ' LEU . . . . . 0.759 HD12 ' HB3' ' A' ' 30' ' ' LEU . 4.5 mm? -59.8 -34.36 72.94 Favored 'General case' 0 C--O 1.224 -0.257 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.969 177.599 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 109' ' ' ASN . . . . . . . . . . . . . 18.6 m-80 -69.5 -20.01 63.72 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.603 -178.221 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 110' ' ' VAL . . . . . . . . . . . . . 25.0 t -90.9 -38.22 10.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.995 -177.756 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 111' ' ' VAL . . . . . 0.574 HG12 ' O ' ' B' ' 108' ' ' LEU . 10.6 p -60.94 -30.67 47.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 121.135 0.493 . . . . 0.0 110.617 -178.681 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 112' ' ' GLN . . . . . 0.435 ' HG3' ' O ' ' B' ' 108' ' ' LEU . 26.0 mt-30 -65.34 -30.04 70.84 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.699 -179.693 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 113' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -77.33 -31.69 54.72 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.134 -0.939 . . . . 0.0 111.076 -173.253 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 13.7 m -85.11 -36.77 20.92 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.715 -0.675 . . . . 0.0 112.263 -170.775 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 115' ' ' VAL . . . . . 0.411 HG12 ' O ' ' B' ' 111' ' ' VAL . 7.2 p -113.82 -21.27 5.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 N-CA-C 111.953 0.353 . . . . 0.0 111.953 -174.783 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 116' ' ' GLY . . . . . . . . . . . . . . . -63.08 -20.07 62.2 Favored Glycine 0 CA--C 1.518 0.265 0 C-N-CA 120.946 -0.645 . . . . 0.0 113.074 -175.809 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.3 3.33 40.13 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 111.622 0.23 . . . . 0.0 111.622 -178.712 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 118' ' ' TYR . . . . . 0.465 ' HB3' HD23 ' B' ' 76' ' ' LEU . 84.4 m-85 -112.52 -34.46 5.84 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.843 0.354 . . . . 0.0 110.45 177.782 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 119' ' ' VAL . . . . . . . . . . . . . 33.5 m -77.5 -4.82 6.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.072 179.5 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.743 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 178.178 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.838 0 N-CA-C 111.94 -0.464 . . . . 0.0 111.94 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 18.2 m -76.12 95.47 3.66 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 178.492 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . -87.93 55.64 4.35 Favored Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 120.898 -0.668 . . . . 0.0 112.302 -178.355 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' -2' ' ' ASN . . . . . . . . . . . . . 27.3 p30 -154.35 177.14 11.47 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 110.199 -0.297 . . . . 0.0 110.199 -179.751 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 11.1 p -128.02 18.02 6.65 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.932 0.396 . . . . 0.0 111.16 -178.817 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 35.0 m -81.75 -1.37 5.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.761 -175.266 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 12.1 t -141.38 144.28 34.42 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.022 -179.498 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.526 ' OG ' ' HA ' ' B' ' 3' ' ' SER . 48.4 m -154.72 134.78 13.07 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.661 -0.245 . . . . 0.0 110.462 179.729 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.437 ' N ' ' HB3' ' B' ' -1' ' ' SER . . . -133.06 -49.19 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.623 -0.799 . . . . 0.0 112.723 -178.655 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 113.17 -31.97 6.4 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.501 -0.857 . . . . 0.0 112.421 178.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.579 ' HA ' ' O ' ' A' ' 9' ' ' GLY . 51.8 p90 -64.17 -9.08 14.68 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-O 120.942 0.401 . . . . 0.0 111.464 -178.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -77.67 -29.15 55.81 Favored Glycine 0 N--CA 1.447 -0.567 0 C-N-CA 121.139 -0.553 . . . . 0.0 112.432 178.469 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 72.8 m-85 -77.66 -51.35 10.75 Favored 'General case' 0 CA--C 1.516 -0.35 0 CA-C-O 122.121 0.963 . . . . 0.0 108.512 174.533 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.579 ' O ' ' HA ' ' A' ' 6' ' ' TYR . . . -168.32 -179.5 40.75 Favored Glycine 0 N--CA 1.435 -1.41 0 N-CA-C 109.105 -1.598 . . . . 0.0 109.105 177.084 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 43.9 p -133.75 174.1 10.82 Favored 'General case' 0 C--N 1.312 -1.043 0 CA-C-N 117.865 0.833 . . . . 0.0 110.068 178.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 13.0 m -57.25 106.1 0.29 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.33 -178.706 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.4 ' C ' ' H ' ' A' ' 14' ' ' ALA . . . -139.58 6.86 2.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.441 -177.818 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 67.08 -20.52 0.11 Allowed 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 113.954 1.094 . . . . 0.0 113.954 177.384 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.4 ' H ' ' C ' ' A' ' 12' ' ' ALA . . . -64.38 -72.47 0.15 Allowed 'General case' 0 C--O 1.233 0.235 0 CA-C-O 120.618 0.247 . . . . 0.0 110.705 179.049 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.482 ' HA3' ' H ' ' A' ' 25' ' ' GLY . . . 104.66 75.71 1.04 Allowed Glycine 0 C--O 1.22 -0.735 0 C-N-CA 120.249 -0.977 . . . . 0.0 114.169 169.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.456 ' H ' HG13 ' A' ' 18' ' ' VAL . . . -147.9 82.93 1.51 Allowed 'General case' 0 C--N 1.31 -1.138 0 N-CA-C 109.076 -0.713 . . . . 0.0 109.076 174.262 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 68.43 40.09 86.92 Favored Glycine 0 N--CA 1.447 -0.628 0 CA-C-N 115.43 -0.805 . . . . 0.0 111.435 -169.472 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.456 HG13 ' H ' ' A' ' 16' ' ' ALA . 2.7 m -80.52 -22.41 11.33 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.322 0 N-CA-C 111.843 0.312 . . . . 0.0 111.843 -178.742 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -150.43 177.25 10.17 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.494 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.535 ' HB1' ' HB1' ' B' ' 20' ' ' ALA . . . -69.18 -43.59 73.9 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.154 -177.83 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -136.52 36.31 2.01 Favored Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.145 -177.796 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 11.7 m -153.52 127.23 8.78 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.675 0.274 . . . . 0.0 110.896 179.256 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.459 ' CE1' ' HA ' ' A' ' 74' ' ' GLU . 0.1 OUTLIER -151.42 125.43 9.21 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 179.545 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.437 ' H ' ' HA3' ' A' ' 15' ' ' GLY . . . -86.29 -22.14 26.95 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 112.328 0.492 . . . . 0.0 112.328 -176.104 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.482 ' H ' ' HA3' ' A' ' 15' ' ' GLY . . . -63.94 -29.87 76.08 Favored Glycine 0 CA--C 1.506 -0.487 0 N-CA-C 111.87 -0.492 . . . . 0.0 111.87 -178.614 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.552 ' HB1' ' HB2' ' A' ' 78' ' ' GLN . . . -67.52 -10.96 56.57 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 114.939 -0.63 . . . . 0.0 110.411 176.226 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.518 HG22 ' CD1' ' A' ' 81' ' ' LEU . 3.1 t -103.09 -42.38 8.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.581 -179.65 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.462 HD22 ' HA2' ' A' ' 25' ' ' GLY . 45.8 m-80 -65.91 -33.13 75.13 Favored 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 120.55 -0.46 . . . . 0.0 110.972 -177.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 73.2 ttt180 -67.45 -8.59 34.54 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.358 -178.246 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.514 ' HB3' HD22 ' B' ' 108' ' ' LEU . 84.6 mt -68.78 -19.95 64.33 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.88 0.372 . . . . 0.0 111.208 179.788 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 65.6 p -83.12 5.7 21.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.274 0.559 . . . . 0.0 110.694 179.522 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 45.9 t -87.59 158.72 18.81 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.266 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.83 -26.63 68.84 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.59 177.67 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -53.05 -59.37 4.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.675 178.561 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.661 ' O ' HG23 ' A' ' 39' ' ' VAL . . . -60.23 -59.51 5.3 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.322 -0.854 . . . . 0.0 110.82 179.017 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -48.15 -38.11 17.22 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 111.921 0.341 . . . . 0.0 111.921 -175.422 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 22.7 t -72.31 -27.43 62.44 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 112.272 0.471 . . . . 0.0 112.272 -179.232 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 87.5 mtt-85 -96.65 -38.57 9.88 Favored 'General case' 0 CA--C 1.514 -0.414 0 CA-C-O 121.406 0.622 . . . . 0.0 110.373 -176.063 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.661 HG23 ' O ' ' A' ' 35' ' ' ALA . 32.9 t -63.98 -38.68 83.03 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.866 0 CA-C-N 114.986 -1.006 . . . . 0.0 110.35 179.128 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.474 ' O ' HG12 ' A' ' 43' ' ' ILE . 88.1 p -77.97 -11.67 59.92 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.273 0.558 . . . . 0.0 110.956 179.585 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 44.8 t -82.9 -23.19 33.67 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.283 0.564 . . . . 0.0 110.099 179.516 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 32.4 m-80 -111.63 -0.48 16.06 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.528 -172.435 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.474 HG12 ' O ' ' A' ' 40' ' ' SER . 3.4 pt -59.8 -42.23 88.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.927 0.394 . . . . 0.0 110.705 176.453 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.435 ' N ' HG13 ' A' ' 43' ' ' ILE . . . -75.78 -15.61 60.23 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.888 -176.857 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -79.69 -51.8 8.77 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.145 -179.098 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 46.2 mt -64.89 -36.82 78.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.149 179.138 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.73 ' HB1' HD13 ' B' ' 96' ' ' ILE . . . -65.17 -15.85 62.87 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.446 -179.757 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 28.6 m -112.81 -1.15 14.73 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.394 -177.54 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -126.85 -25.97 1.18 Allowed Glycine 0 CA--C 1.518 0.28 0 C-N-CA 120.524 -0.846 . . . . 0.0 112.929 -179.249 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 77.27 -76.41 1.66 Allowed Glycine 0 N--CA 1.448 -0.535 0 N-CA-C 111.377 -0.689 . . . . 0.0 111.377 179.312 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -126.02 -18.89 4.93 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-O 120.908 0.385 . . . . 0.0 110.61 178.583 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 33.0 t -75.79 -8.46 56.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.883 0.373 . . . . 0.0 110.718 -176.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -95.67 -16.15 22.22 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.753 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.49 HD11 HG11 ' B' ' 88' ' ' VAL . 65.2 mt -53.19 -58.88 10.67 Favored Pre-proline 0 CA--C 1.534 0.353 0 CA-C-N 116.116 -0.493 . . . . 0.0 112.045 -176.849 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.424 ' HD2' ' N ' ' A' ' 54' ' ' LEU . 24.7 Cg_endo -62.26 -20.9 71.6 Favored 'Trans proline' 0 C--N 1.352 0.723 0 C-N-CA 122.273 1.982 . . . . 0.0 112.344 -176.366 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 14.1 m -90.86 -37.37 13.63 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.93 -178.799 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 62.3 t -77.56 -38.98 26.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 121.051 0.453 . . . . 0.0 109.908 -176.549 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.493 HG12 HD22 ' A' ' 83' ' ' LEU . 79.7 mt -57.39 -39.24 67.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.661 -0.7 . . . . 0.0 109.603 173.775 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 42.4 t -66.76 -41.1 88.29 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.006 -179.099 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 93.0 m-20 -60.44 -44.77 95.47 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.075 179.777 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.463 HG21 ' HB2' ' A' ' 82' ' ' GLU . 56.9 mt -80.24 -46.03 22.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.59 -177.084 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.472 ' O ' HG23 ' A' ' 66' ' ' VAL . 62.0 t80 -53.83 -54.28 40.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.431 -177.144 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 10.2 t -62.54 -29.53 70.63 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.914 0.388 . . . . 0.0 110.127 -178.475 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -68.3 -41.78 84.79 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.942 -0.647 . . . . 0.0 111.781 179.151 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.657 HG12 HG11 ' A' ' 70' ' ' VAL . 43.6 t -70.98 -43.75 76.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 121.024 0.44 . . . . 0.0 110.622 178.769 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.472 HG23 ' O ' ' A' ' 62' ' ' TYR . 98.1 t -59.8 -34.32 55.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.905 -179.627 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.36 -17.05 63.35 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.869 179.233 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 33.0 t -76.2 -18.84 58.88 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.027 0.441 . . . . 0.0 110.558 179.742 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 96.84 37.09 4.8 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.661 -0.781 . . . . 0.0 111.873 -177.687 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.657 HG11 HG12 ' A' ' 65' ' ' VAL . 15.0 p -96.9 161.92 2.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 N-CA-C 109.77 -0.456 . . . . 0.0 109.77 178.77 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 41.9 t -65.08 144.18 57.42 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 174.094 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 10.6 t -60.66 -41.9 95.94 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.643 0.258 . . . . 0.0 111.339 -176.379 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -72.57 -33.27 66.65 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.06 0.457 . . . . 0.0 109.944 -176.884 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.459 ' HA ' ' CE1' ' A' ' 23' ' ' TYR . 35.8 tt0 -74.95 -33.47 61.93 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.178 179.274 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.471 ' HB2' HG13 ' A' ' 70' ' ' VAL . . . -62.01 -36.74 82.45 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.251 178.199 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.474 HD23 ' HB3' ' A' ' 118' ' ' TYR . 3.0 tm? -55.07 -45.07 75.32 Favored 'General case' 0 N--CA 1.463 0.188 0 O-C-N 123.316 0.385 . . . . 0.0 110.042 178.64 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.705 ' O ' ' HG ' ' A' ' 81' ' ' LEU . 40.2 mm -62.41 -56.91 14.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.866 -178.881 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . 0.552 ' HB2' ' HB1' ' A' ' 26' ' ' ALA . 49.1 tt0 -59.13 -49.4 78.0 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.699 0.285 . . . . 0.0 111.074 -178.627 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.11 -34.43 73.48 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.182 -177.224 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.6 ' O ' HD23 ' A' ' 84' ' ' LEU . 5.2 mt -70.76 -41.52 71.66 Favored 'General case' 0 N--CA 1.449 -0.499 0 C-N-CA 120.692 -0.403 . . . . 0.0 110.722 176.149 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.705 ' HG ' ' O ' ' A' ' 77' ' ' ILE . 20.0 mt -69.26 -33.34 73.1 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 120.998 0.428 . . . . 0.0 110.631 -177.437 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.463 ' HB2' HG21 ' A' ' 61' ' ' ILE . 41.9 mt-10 -67.24 -21.04 65.75 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.636 171.745 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.515 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 37.0 tp -84.47 -41.83 16.2 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.013 0.435 . . . . 0.0 110.43 175.478 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.681 HD21 HD21 ' B' ' 84' ' ' LEU . 4.1 mm? -65.05 -9.52 22.81 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.555 -0.748 . . . . 0.0 112.048 -177.544 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.9 p -100.82 -25.86 13.97 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 120.846 0.355 . . . . 0.0 110.99 179.591 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -73.21 -46.8 48.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.459 0.647 . . . . 0.0 110.577 -178.646 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.515 ' HG ' ' O ' ' A' ' 83' ' ' LEU . 1.1 pp -77.98 -14.33 59.56 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.348 -0.842 . . . . 0.0 112.877 -171.652 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.462 HG13 HD12 ' A' ' 87' ' ' LEU . 17.6 m -96.2 -21.63 5.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 C-N-CA 120.442 -0.503 . . . . 0.0 110.654 176.249 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 65.5 t60 -69.26 -33.96 74.03 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 176.715 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.477 ' HA ' HG11 ' B' ' 99' ' ' VAL . 23.2 m -64.96 -25.63 38.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.424 -176.346 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.704 ' HA ' ' HB3' ' A' ' 94' ' ' ALA . 3.9 mm? -63.88 -22.55 66.97 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.006 -179.286 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 25.9 t -57.21 -31.44 65.49 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.964 178.616 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 9.4 t -123.44 13.26 9.46 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-O 121.587 0.708 . . . . 0.0 109.842 -178.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.704 ' HB3' ' HA ' ' A' ' 91' ' ' LEU . . . -103.77 92.99 4.66 Favored 'General case' 0 N--CA 1.445 -0.708 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.131 178.846 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 21.4 t -72.61 91.48 1.44 Allowed 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.659 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.793 HD13 ' HB1' ' B' ' 47' ' ' ALA . 20.4 tt -73.82 142.79 14.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.429 -179.029 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -87.54 -98.69 0.88 Allowed Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.052 179.216 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 8.6 t30 -138.6 111.52 7.81 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.825 0.345 . . . . 0.0 110.249 177.675 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.634 HG13 HD11 ' A' ' 96' ' ' ILE . 7.4 m -85.91 148.64 4.6 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.019 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 43.7 t -109.55 146.64 34.32 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.868 -0.605 . . . . 0.0 109.83 -179.055 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 54.8 m -76.51 -6.8 53.39 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.22 0.534 . . . . 0.0 110.411 176.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 60.3 t -93.02 108.61 20.6 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.432 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.625 -178.402 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 130.72 -16.27 5.36 Favored Glycine 0 N--CA 1.453 -0.182 0 C-N-CA 120.853 -0.689 . . . . 0.0 112.998 176.507 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.403 HG22 ' CD2' ' B' ' 89' ' ' HIS . 21.6 t -58.36 -28.33 35.3 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.378 0 C-N-CA 122.139 0.176 . . . . 0.0 111.112 -178.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -49.65 -46.43 49.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.465 178.212 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 18.6 m -74.65 -36.37 62.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.66 -176.461 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 9.6 m -64.32 -27.12 68.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.615 0.722 . . . . 0.0 110.094 178.59 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.633 HD21 HG21 ' B' ' 39' ' ' VAL . 2.7 mt -71.7 -16.45 62.24 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.506 -0.77 . . . . 0.0 111.64 177.477 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . 0.534 HD22 ' N ' ' A' ' 109' ' ' ASN . 0.8 OUTLIER -82.54 -30.06 29.96 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 120.701 0.286 . . . . 0.0 110.763 -179.741 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 7.3 p -85.51 -29.68 6.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 120.793 0.33 . . . . 0.0 111.258 -177.846 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 14.4 p -62.77 -31.73 53.29 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.346 0 CA-C-O 121.203 0.525 . . . . 0.0 110.232 178.073 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . 0.498 ' HG3' ' O ' ' A' ' 108' ' ' LEU . 26.8 mt-30 -63.95 -32.57 74.15 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.945 -178.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -81.13 -19.9 42.54 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.575 -0.738 . . . . 0.0 110.429 -175.701 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . 0.401 ' OG ' ' HD3' ' A' ' 55' ' ' PRO . 15.0 m -83.43 -41.32 18.23 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.441 -175.264 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.692 HG11 HD22 ' B' ' 81' ' ' LEU . 12.3 p -112.64 -22.42 4.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.716 -173.454 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -57.84 -27.32 59.13 Favored Glycine 0 C--N 1.331 0.292 0 C-N-CA 121.458 -0.401 . . . . 0.0 113.366 -176.122 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.27 0.89 43.6 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 111.619 0.229 . . . . 0.0 111.619 -178.059 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . 0.474 ' HB3' HD23 ' A' ' 76' ' ' LEU . 92.9 m-85 -114.06 -32.22 6.11 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.181 0.515 . . . . 0.0 110.293 177.871 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.49 ' O ' ' HB3' ' B' ' 22' ' ' SER . 30.9 m -87.58 -1.6 8.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.065 178.254 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.53 179.035 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 N-CA-C 112.415 -0.274 . . . . 0.0 112.415 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' -4' ' ' SER . . . . . . . . . . . . . 20.3 t -146.76 126.82 13.71 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.841 0.353 . . . . 0.0 110.394 179.855 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' -3' ' ' GLY . . . . . . . . . . . . . . . -93.07 -0.71 67.87 Favored Glycine 0 N--CA 1.447 -0.613 0 C-N-CA 120.878 -0.677 . . . . 0.0 112.312 -179.614 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' -2' ' ' ASN . . . . . . . . . . . . . 16.7 m120 -86.77 73.55 9.97 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.17 0.51 . . . . 0.0 109.707 178.235 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' -1' ' ' SER . . . . . 0.437 ' HB3' ' N ' ' A' ' 4' ' ' GLY . 16.2 m -81.71 43.12 0.74 Allowed 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.378 -174.482 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 28.9 m -78.85 -23.87 13.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.369 178.748 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 2' ' ' THR . . . . . 0.474 ' O ' ' HA ' ' A' ' 3' ' ' SER . 10.0 t -96.24 170.52 9.19 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.72 177.701 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . 0.526 ' HA ' ' OG ' ' A' ' 3' ' ' SER . 58.9 m -154.17 105.36 2.7 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.941 0.4 . . . . 0.0 110.043 178.424 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -94.38 114.65 4.84 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.323 -176.434 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -62.35 -51.68 54.72 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 121.071 -0.585 . . . . 0.0 112.177 179.676 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 6' ' ' TYR . . . . . 0.522 ' HA ' ' O ' ' B' ' 9' ' ' GLY . 9.1 p90 -64.16 -9.06 14.52 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 122.651 0.38 . . . . 0.0 111.589 -179.033 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -84.61 -38.1 9.98 Favored Glycine 0 N--CA 1.447 -0.612 0 C-N-CA 120.854 -0.689 . . . . 0.0 111.857 179.361 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 14.2 m-85 -71.05 -56.52 5.97 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.478 0.656 . . . . 0.0 109.755 174.414 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . 0.522 ' O ' ' HA ' ' B' ' 6' ' ' TYR . . . -153.45 -174.62 23.92 Favored Glycine 0 N--CA 1.439 -1.134 0 N-CA-C 108.978 -1.649 . . . . 0.0 108.978 176.73 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 71.1 p -132.36 165.29 24.56 Favored 'General case' 0 C--N 1.31 -1.119 0 CA-C-N 118.456 1.128 . . . . 0.0 110.902 -179.243 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 19.7 m -72.93 80.45 1.18 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.222 0.534 . . . . 0.0 111.183 -177.299 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -125.49 13.02 8.13 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.45 177.297 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . 66.62 0.91 1.98 Allowed 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 115.537 -0.756 . . . . 0.0 112.88 179.607 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.76 -57.15 9.71 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.018 0.437 . . . . 0.0 111.136 -179.389 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 15' ' ' GLY . . . . . 0.581 ' HA3' ' N ' ' B' ' 25' ' ' GLY . . . 103.71 -162.25 15.67 Favored Glycine 0 N--CA 1.445 -0.736 0 C-N-CA 120.507 -0.854 . . . . 0.0 112.145 178.507 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . 58.82 78.64 0.25 Allowed 'General case' 0 C--O 1.233 0.227 0 CA-C-O 121.193 0.52 . . . . 0.0 111.283 -179.424 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 66.26 52.73 33.87 Favored Glycine 0 C--O 1.226 -0.391 0 CA-C-N 115.488 -0.778 . . . . 0.0 113.069 -177.735 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . 0.568 ' CG2' ' HA ' ' B' ' 23' ' ' TYR . 0.8 OUTLIER -83.98 -20.8 8.74 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.457 0 CA-C-O 120.841 0.353 . . . . 0.0 111.722 177.435 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -152.74 -176.04 5.57 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.254 -179.263 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . 0.535 ' HB1' ' HB1' ' A' ' 20' ' ' ALA . . . -74.5 -43.62 55.12 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.427 -177.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -129.19 9.99 6.23 Favored Glycine 0 N--CA 1.453 -0.223 0 C-N-CA 120.414 -0.898 . . . . 0.0 113.309 -175.464 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 22' ' ' SER . . . . . 0.49 ' HB3' ' O ' ' A' ' 119' ' ' VAL . 7.1 m -136.48 137.59 40.51 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.603 0.239 . . . . 0.0 110.741 179.783 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 23' ' ' TYR . . . . . 0.568 ' HA ' ' CG2' ' B' ' 18' ' ' VAL . 0.3 OUTLIER -147.31 136.28 22.26 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.258 -177.835 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . 0.427 ' HA ' HG23 ' B' ' 27' ' ' VAL . . . -101.34 -13.37 18.05 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.927 -178.155 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . 0.581 ' N ' ' HA3' ' B' ' 15' ' ' GLY . . . -67.52 -31.48 76.64 Favored Glycine 0 CA--C 1.509 -0.291 0 C-N-CA 120.456 -0.878 . . . . 0.0 111.594 -178.341 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 26' ' ' ALA . . . . . 0.468 ' HB1' ' HB2' ' B' ' 78' ' ' GLN . . . -64.78 -20.59 66.46 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.349 0.595 . . . . 0.0 110.809 175.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . 0.444 HG22 ' CD1' ' B' ' 81' ' ' LEU . 2.3 t -91.18 -44.33 14.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.176 -178.471 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 59.3 m-20 -68.92 -15.26 63.44 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.348 -0.842 . . . . 0.0 111.491 -173.333 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 68.4 ttt180 -88.22 -6.02 58.05 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.828 -178.471 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . 0.607 HD11 ' HB3' ' B' ' 81' ' ' LEU . 87.0 mt -71.38 -25.73 62.49 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.233 -176.478 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 10.3 p -79.09 1.3 24.66 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.983 0.42 . . . . 0.0 111.113 179.463 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 55.6 m -89.12 152.66 21.51 Favored 'General case' 0 N--CA 1.442 -0.835 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.472 177.587 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.73 -21.02 65.5 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.239 -179.606 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -52.74 -58.4 6.99 Favored 'General case' 0 CA--C 1.52 -0.186 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.271 176.548 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 35' ' ' ALA . . . . . 0.666 ' O ' HG23 ' B' ' 39' ' ' VAL . . . -60.42 -55.96 27.24 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.562 179.086 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -47.54 -36.36 10.34 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 115.945 -0.571 . . . . 0.0 112.141 -176.175 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 23.1 t -68.08 -32.82 73.42 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.331 -0.395 . . . . 0.0 112.064 -178.546 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 38' ' ' ARG . . . . . 0.435 ' NH1' ' HA3' ' B' ' 64' ' ' GLY . 49.3 mtt-85 -96.99 -37.5 10.15 Favored 'General case' 0 CA--C 1.516 -0.336 0 CA-C-O 121.384 0.611 . . . . 0.0 110.572 -175.237 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . 0.666 HG23 ' O ' ' B' ' 35' ' ' ALA . 24.2 t -61.94 -39.2 82.75 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.868 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.181 178.736 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 91.2 p -78.15 -6.75 55.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.974 0.416 . . . . 0.0 111.07 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 48.5 t -90.3 -15.32 31.45 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.321 0.581 . . . . 0.0 110.177 179.786 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 42' ' ' ASN . . . . . 0.4 ' HB3' HG13 ' B' ' 57' ' ' VAL . 39.8 m-80 -117.65 -3.63 11.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.215 -175.094 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 43' ' ' ILE . . . . . 0.499 HG23 ' O ' ' B' ' 39' ' ' VAL . 6.4 pt -57.8 -43.62 84.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.971 0.415 . . . . 0.0 111.086 177.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . 0.497 ' N ' HG13 ' B' ' 43' ' ' ILE . . . -77.13 -12.04 59.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.84 -175.559 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -79.89 -51.82 8.64 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.839 -0.618 . . . . 0.0 109.76 178.341 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 46' ' ' ILE . . . . . 0.42 HG21 ' HB3' ' B' ' 87' ' ' LEU . 37.3 mt -66.98 -35.32 74.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.264 -179.635 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . 0.793 ' HB1' HD13 ' A' ' 96' ' ' ILE . . . -63.54 -19.92 65.19 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.445 178.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 44.1 m -104.68 -35.18 7.89 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.548 -176.795 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -95.86 -19.31 29.45 Favored Glycine 0 CA--C 1.519 0.313 0 C-N-CA 120.463 -0.875 . . . . 0.0 113.191 -177.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 73.39 -75.46 0.99 Allowed Glycine 0 C--O 1.225 -0.43 0 N-CA-C 111.721 -0.552 . . . . 0.0 111.721 179.635 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -124.58 -21.1 4.93 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.478 -0.361 . . . . 0.0 110.794 -179.292 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 15.3 t -75.3 -13.02 60.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.097 0.475 . . . . 0.0 110.223 -178.364 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -87.85 -19.4 27.46 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.606 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 54' ' ' LEU . . . . . 0.446 HD11 HG11 ' A' ' 88' ' ' VAL . 49.5 mt -52.98 -57.98 14.07 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.979 -176.481 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 55' ' ' PRO . . . . . 0.44 ' HD2' ' N ' ' B' ' 54' ' ' LEU . 20.5 Cg_endo -61.34 -25.12 79.82 Favored 'Trans proline' 0 C--N 1.352 0.74 0 C-N-CA 122.157 1.904 . . . . 0.0 112.453 -177.42 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 48.5 m -84.23 -39.59 19.12 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.788 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . 0.4 HG13 ' HB3' ' B' ' 42' ' ' ASN . 63.1 t -76.22 -39.08 34.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.094 -174.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 58' ' ' ILE . . . . . 0.495 HG12 HD22 ' B' ' 83' ' ' LEU . 62.2 mt -57.03 -43.64 81.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.031 174.766 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 32.6 t -67.43 -39.53 85.46 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.571 -177.774 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 81.9 m-20 -61.01 -43.81 98.33 Favored 'General case' 0 CA--C 1.519 -0.224 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.095 179.119 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . 0.458 ' O ' HG23 ' B' ' 65' ' ' VAL . 63.2 mt -79.54 -48.36 21.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 115.714 -0.676 . . . . 0.0 111.428 -178.315 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 62' ' ' TYR . . . . . 0.495 ' O ' HG23 ' B' ' 66' ' ' VAL . 45.7 t80 -55.22 -54.39 44.03 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.566 -0.288 . . . . 0.0 110.894 -176.05 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 19.6 m -60.94 -29.75 69.81 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.83 -179.232 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . 0.435 ' HA3' ' NH1' ' B' ' 38' ' ' ARG . . . -73.21 -44.42 35.23 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.947 -0.644 . . . . 0.0 111.799 178.413 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 65' ' ' VAL . . . . . 0.681 HG12 HG11 ' B' ' 70' ' ' VAL . 85.7 t -65.17 -42.56 94.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-O 120.874 0.369 . . . . 0.0 111.083 179.841 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 66' ' ' VAL . . . . . 0.495 HG23 ' O ' ' B' ' 62' ' ' TYR . 90.1 t -60.58 -46.3 95.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.746 179.661 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.91 -14.92 63.35 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.313 178.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 27.8 t -78.22 -15.5 58.74 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.848 -179.105 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 101.28 27.91 7.05 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.216 -0.992 . . . . 0.0 113.211 176.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.681 HG11 HG12 ' B' ' 65' ' ' VAL . 11.6 p -80.31 166.36 2.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 N-CA-C 110.25 -0.278 . . . . 0.0 110.25 177.787 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 71' ' ' SER . . . . . 0.443 ' N ' HG22 ' B' ' 70' ' ' VAL . 47.2 t -69.38 151.32 46.29 Favored 'General case' 0 N--CA 1.454 -0.255 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 172.616 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 7.2 p -56.5 -64.02 1.0 Allowed 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.985 0.735 . . . . 0.0 112.985 -170.426 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 73' ' ' ASN . . . . . 0.451 ' HB3' ' OH ' ' B' ' 23' ' ' TYR . 3.2 t30 -76.72 -18.53 58.45 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 120.634 -0.426 . . . . 0.0 110.818 -176.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 74' ' ' GLU . . . . . 0.403 ' HB3' ' HB3' ' B' ' 71' ' ' SER . 38.6 tt0 -74.27 -23.41 59.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.143 0.497 . . . . 0.0 109.855 177.725 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.26 -39.9 88.44 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.538 176.036 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 76' ' ' LEU . . . . . 0.479 HD23 ' HB3' ' B' ' 118' ' ' TYR . 2.8 tm? -56.0 -48.3 76.16 Favored 'General case' 0 CA--C 1.516 -0.335 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.628 177.496 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 77' ' ' ILE . . . . . 0.624 ' O ' ' HG ' ' B' ' 81' ' ' LEU . 40.2 mm -64.27 -53.75 39.47 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-N 115.399 -0.819 . . . . 0.0 111.242 -177.547 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 78' ' ' GLN . . . . . 0.468 ' HB2' ' HB1' ' B' ' 26' ' ' ALA . 14.3 tt0 -58.4 -46.74 85.82 Favored 'General case' 0 N--CA 1.465 0.32 0 C-N-CA 121.176 -0.21 . . . . 0.0 111.024 179.533 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -59.82 -41.02 90.36 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.037 0.446 . . . . 0.0 110.451 -179.702 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 80' ' ' LEU . . . . . 0.611 ' O ' HD23 ' B' ' 84' ' ' LEU . 2.2 mm? -64.99 -45.65 84.71 Favored 'General case' 0 N--CA 1.446 -0.673 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.073 176.215 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . 0.692 HD22 HG11 ' A' ' 115' ' ' VAL . 14.0 mt -68.17 -36.72 80.06 Favored 'General case' 0 C--N 1.322 -0.591 0 O-C-N 122.238 -0.288 . . . . 0.0 111.613 -175.645 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -64.8 -27.2 68.72 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.091 0.472 . . . . 0.0 110.785 172.608 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 83' ' ' LEU . . . . . 0.55 ' O ' ' HG ' ' B' ' 87' ' ' LEU . 35.1 tp -76.97 -43.25 35.75 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.035 0.445 . . . . 0.0 110.56 174.586 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 84' ' ' LEU . . . . . 0.681 HD21 HD21 ' A' ' 84' ' ' LEU . 4.0 mm? -63.46 -11.66 25.32 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.518 -0.765 . . . . 0.0 112.053 -177.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 1.5 p -101.11 -27.59 13.16 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 120.645 0.259 . . . . 0.0 110.909 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -70.64 -46.73 62.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.293 0.568 . . . . 0.0 110.554 -178.752 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 87' ' ' LEU . . . . . 0.55 ' HG ' ' O ' ' B' ' 83' ' ' LEU . 1.1 pp -77.2 -17.13 58.75 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.485 -0.779 . . . . 0.0 112.822 -172.783 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 88' ' ' VAL . . . . . 0.49 HG11 HD11 ' A' ' 54' ' ' LEU . 18.7 m -93.02 -24.61 5.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 C-N-CA 120.3 -0.56 . . . . 0.0 110.812 176.702 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 89' ' ' HIS . . . . . 0.403 ' CD2' HG22 ' A' ' 104' ' ' VAL . 73.5 t60 -67.55 -32.74 73.72 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.106 178.006 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 90' ' ' VAL . . . . . 0.476 ' HA ' HG11 ' A' ' 99' ' ' VAL . 19.1 m -64.79 -27.86 43.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.201 -177.031 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 91' ' ' LEU . . . . . 0.63 ' HA ' ' HB3' ' B' ' 94' ' ' ALA . 3.7 mm? -62.48 -25.49 68.03 Favored 'General case' 0 CA--C 1.52 -0.199 0 CA-C-O 120.983 0.42 . . . . 0.0 110.641 178.508 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 48.8 m -60.87 -22.57 64.39 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.272 179.677 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 23.2 t -130.01 18.63 5.53 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-O 121.201 0.524 . . . . 0.0 110.037 177.146 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 94' ' ' ALA . . . . . 0.63 ' HB3' ' HA ' ' B' ' 91' ' ' LEU . . . -115.19 90.65 3.39 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.286 178.569 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 8.6 t -73.09 94.48 1.92 Allowed 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 179.174 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 96' ' ' ILE . . . . . 0.73 HD13 ' HB1' ' A' ' 47' ' ' ALA . 20.4 tt -69.01 146.72 12.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.679 -175.78 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 97' ' ' GLY . . . . . . . . . . . . . . . -89.95 -86.83 1.32 Allowed Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 121.08 -0.581 . . . . 0.0 112.8 -179.181 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 98' ' ' ASN . . . . . . . . . . . . . 9.3 t30 -150.47 111.68 4.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.733 0.267 . . . . 0.0 110.702 -176.429 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 99' ' ' VAL . . . . . 0.532 ' CG1' HD11 ' B' ' 96' ' ' ILE . 8.4 m -103.25 148.65 8.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 120.969 0.414 . . . . 0.0 111.465 -178.031 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 100' ' ' SER . . . . . . . . . . . . . 50.5 m -123.19 162.84 21.78 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.375 -178.725 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 101' ' ' SER . . . . . 0.453 ' CB ' ' HB2' ' A' ' 40' ' ' SER . 6.7 p -82.55 24.48 0.7 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.853 -176.831 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 43.3 t -109.29 114.32 46.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 120.769 0.318 . . . . 0.0 110.995 -174.285 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . 111.61 -8.2 28.1 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 121.085 -0.579 . . . . 0.0 112.543 175.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 104' ' ' VAL . . . . . . . . . . . . . 33.5 t -60.96 -34.01 58.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 178.683 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -50.07 -48.11 53.23 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.233 -0.894 . . . . 0.0 110.284 175.435 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 39.9 m -78.21 -32.85 50.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.49 -0.777 . . . . 0.0 111.506 -177.292 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 28.0 m -59.5 -36.4 75.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.379 0.609 . . . . 0.0 109.998 175.216 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 108' ' ' LEU . . . . . 0.613 ' O ' ' HG3' ' B' ' 112' ' ' GLN . 3.3 mt -62.52 -28.38 69.81 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.345 -0.843 . . . . 0.0 111.424 177.684 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 109' ' ' ASN . . . . . 0.484 ' N ' HD22 ' B' ' 109' ' ' ASN . 0.9 OUTLIER -68.63 -28.94 67.35 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.229 0.538 . . . . 0.0 110.215 178.818 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 110' ' ' VAL . . . . . . . . . . . . . 23.1 t -82.69 -37.34 14.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.888 -177.831 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 111' ' ' VAL . . . . . 0.545 HG12 ' O ' ' B' ' 108' ' ' LEU . 7.8 p -64.31 -31.83 55.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-O 121.128 0.489 . . . . 0.0 110.038 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 112' ' ' GLN . . . . . 0.613 ' HG3' ' O ' ' B' ' 108' ' ' LEU . 27.2 mt-30 -65.3 -32.79 74.63 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.381 178.568 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 113' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -73.35 -34.49 65.64 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.289 -0.869 . . . . 0.0 110.789 -178.136 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 15.3 m -76.84 -37.58 55.38 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.312 -0.858 . . . . 0.0 112.204 -170.126 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 115' ' ' VAL . . . . . 0.69 HG11 HD22 ' A' ' 81' ' ' LEU . 14.7 p -118.87 -19.89 5.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 C-N-CA 120.779 -0.369 . . . . 0.0 111.98 -173.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 116' ' ' GLY . . . . . . . . . . . . . . . -61.51 -17.48 53.58 Favored Glycine 0 C--O 1.228 -0.269 0 C-N-CA 121.218 -0.515 . . . . 0.0 113.027 -176.842 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.75 1.76 56.94 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.664 0.269 . . . . 0.0 111.236 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 118' ' ' TYR . . . . . 0.479 ' HB3' HD23 ' B' ' 76' ' ' LEU . 77.9 m-85 -112.99 -32.35 6.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.043 0.449 . . . . 0.0 110.163 177.522 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 119' ' ' VAL . . . . . . . . . . . . . 33.8 m -88.16 -2.47 8.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.35 178.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.215 0 CA-C-O 118.262 -1.299 . . . . 0.0 112.055 179.859 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.761 0 N-CA-C 112.268 -0.333 . . . . 0.0 112.268 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 5.6 p -80.39 157.26 26.34 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.144 0.497 . . . . 0.0 111.436 -178.246 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . 179.72 152.19 10.55 Favored Glycine 0 N--CA 1.447 -0.633 0 N-CA-C 110.868 -0.893 . . . . 0.0 110.868 179.201 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' -2' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -80.66 77.3 7.5 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.102 0.477 . . . . 0.0 111.746 -176.729 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 10.4 p -94.0 113.36 25.33 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.565 173.583 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 28.1 m -63.63 138.98 22.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 121.353 0.597 . . . . 0.0 111.771 -176.121 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 20.6 p -70.79 105.6 3.27 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.133 -179.171 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.0 m -79.73 89.67 5.19 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.053 178.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -103.7 175.94 23.7 Favored Glycine 0 N--CA 1.45 -0.379 0 CA-C-N 115.764 -0.653 . . . . 0.0 112.683 -176.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 105.13 -19.23 40.93 Favored Glycine 0 N--CA 1.453 -0.219 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 -177.32 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 40.6 p90 -151.18 169.26 22.32 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 178.33 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 75.04 170.15 26.05 Favored Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 120.359 -0.924 . . . . 0.0 111.267 -175.268 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.621 ' HB3' ' O ' ' A' ' 18' ' ' VAL . 21.5 m-85 61.1 -74.67 0.03 OUTLIER 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 123.071 0.548 . . . . 0.0 111.599 -175.671 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -149.93 90.75 0.14 Allowed Glycine 0 N--CA 1.443 -0.879 0 N-CA-C 110.643 -0.983 . . . . 0.0 110.643 178.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 20.8 p -66.32 -39.09 89.03 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 111.834 0.309 . . . . 0.0 111.834 -175.584 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 16.0 m -142.59 172.75 12.27 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 116.303 -0.408 . . . . 0.0 109.913 179.713 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -72.13 78.0 0.95 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.303 0.573 . . . . 0.0 111.4 178.001 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -127.31 10.93 6.86 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.468 175.781 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -169.22 177.45 4.78 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.052 -0.976 . . . . 0.0 109.39 -178.168 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -150.67 -172.86 20.24 Favored Glycine 0 N--CA 1.446 -0.645 0 C-N-CA 120.623 -0.799 . . . . 0.0 111.806 179.65 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.499 ' HA ' ' OE1' ' A' ' 74' ' ' GLU . . . 62.49 92.02 0.06 Allowed 'General case' 0 C--O 1.234 0.258 0 CA-C-O 121.328 0.585 . . . . 0.0 111.644 179.293 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 62.28 44.18 98.04 Favored Glycine 0 CA--C 1.519 0.312 0 CA-C-N 115.415 -0.811 . . . . 0.0 113.137 -179.432 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.642 ' CG2' ' HA ' ' A' ' 23' ' ' TYR . 0.2 OUTLIER -78.27 -60.47 2.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.96 0.38 . . . . 0.0 111.358 178.656 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -107.78 -172.95 2.17 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 110.245 -0.28 . . . . 0.0 110.245 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -69.44 -48.12 61.92 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.854 0.359 . . . . 0.0 111.128 -177.665 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -135.74 26.09 3.19 Favored Glycine 0 CA--C 1.506 -0.49 0 N-CA-C 111.48 -0.648 . . . . 0.0 111.48 -178.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.508 ' HB3' ' O ' ' B' ' 119' ' ' VAL . 26.7 m -139.42 130.17 26.04 Favored 'General case' 0 N--CA 1.444 -0.769 0 CA-C-N 115.239 -0.48 . . . . 0.0 109.941 -179.636 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.642 ' HA ' ' CG2' ' A' ' 18' ' ' VAL . 0.2 OUTLIER -149.54 129.22 13.2 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.262 -177.784 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -89.41 -14.0 36.44 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.071 -179.685 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.544 ' HA2' HD21 ' A' ' 28' ' ' ASN . . . -66.17 -32.37 82.04 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.814 -0.707 . . . . 0.0 112.236 -178.767 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.58 ' HB1' ' HB2' ' A' ' 78' ' ' GLN . . . -77.71 -3.29 40.4 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.0 0.429 . . . . 0.0 111.18 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.2 t -100.65 -51.87 9.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 C-N-CA 120.762 -0.375 . . . . 0.0 110.655 -176.151 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.544 HD21 ' HA2' ' A' ' 25' ' ' GLY . 7.6 p30 -68.11 -18.42 64.64 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.027 0.441 . . . . 0.0 110.774 -176.823 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 10.9 ttt85 -72.95 -14.65 61.5 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.053 178.287 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.782 HD11 ' HB3' ' A' ' 81' ' ' LEU . 92.3 mt -65.13 -27.15 68.54 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.804 -178.434 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 63.7 p -75.25 1.87 12.47 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.938 0.399 . . . . 0.0 111.232 -177.191 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 39.0 t -84.58 151.44 24.53 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 177.276 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.87 -19.79 53.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.289 -178.839 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.462 ' HB3' ' NH2' ' A' ' 38' ' ' ARG . 30.0 mt-10 -54.1 -56.63 16.21 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.558 -0.747 . . . . 0.0 110.885 178.141 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.451 ' O ' HG23 ' A' ' 39' ' ' VAL . . . -59.9 -48.13 82.95 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.552 179.009 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.07 -7.02 7.43 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.047 -0.524 . . . . 0.0 112.165 -176.844 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 49.6 m -99.94 -22.64 15.2 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.647 0.261 . . . . 0.0 111.506 176.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.462 ' NH2' ' HB3' ' A' ' 34' ' ' GLU . 49.6 mtt180 -94.8 -53.13 3.97 Favored 'General case' 0 CA--C 1.512 -0.489 0 N-CA-C 108.979 -0.749 . . . . 0.0 108.979 -179.404 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.513 ' O ' HG23 ' A' ' 43' ' ' ILE . 52.0 t -54.85 -36.8 38.76 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 114.04 -1.437 . . . . 0.0 111.273 -179.106 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.405 ' O ' HG12 ' A' ' 43' ' ' ILE . 48.7 p -74.09 -10.92 60.11 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.778 -177.673 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 22.7 t -97.22 -10.71 25.29 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.747 0.784 . . . . 0.0 109.066 177.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 14.0 m120 -99.24 -25.17 14.59 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.038 -0.983 . . . . 0.0 109.746 -175.289 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.587 HG13 ' N ' ' A' ' 44' ' ' ALA . 7.1 pt -54.97 -41.75 60.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.138 -0.937 . . . . 0.0 111.363 179.403 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.587 ' N ' HG13 ' A' ' 43' ' ' ILE . . . -81.63 -5.14 57.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.148 0.499 . . . . 0.0 111.121 -175.422 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -95.68 -51.91 4.32 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.102 178.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.424 HG21 ' HB3' ' A' ' 87' ' ' LEU . 53.3 mt -66.37 -34.78 72.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.649 -179.114 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.692 ' HB1' HD13 ' B' ' 96' ' ' ILE . . . -63.26 -20.29 65.33 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.293 179.439 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 14.0 t -95.85 -39.88 9.6 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.154 -176.317 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -100.26 -20.26 16.25 Favored Glycine 0 CA--C 1.519 0.32 0 C-N-CA 120.627 -0.797 . . . . 0.0 113.55 -174.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 75.7 -79.66 1.1 Allowed Glycine 0 N--CA 1.447 -0.596 0 N-CA-C 111.399 -0.68 . . . . 0.0 111.399 -179.054 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -117.97 -19.67 9.06 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-O 121.058 0.456 . . . . 0.0 110.386 178.679 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 16.0 m -71.06 -14.99 62.51 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.458 -179.024 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -92.27 -13.68 30.03 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.835 -179.191 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.449 ' N ' ' HD2' ' A' ' 55' ' ' PRO . 45.5 mt -56.2 -57.91 19.71 Favored Pre-proline 0 C--N 1.326 -0.416 0 CA-C-N 116.089 -0.505 . . . . 0.0 112.069 -176.419 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.449 ' HD2' ' N ' ' A' ' 54' ' ' LEU . 18.2 Cg_endo -60.26 -26.59 82.98 Favored 'Trans proline' 0 C--N 1.351 0.672 0 C-N-CA 121.967 1.778 . . . . 0.0 112.191 -176.682 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 9.0 m -82.6 -41.09 19.95 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.03 -178.623 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 75.6 t -80.04 -38.06 18.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.731 -172.57 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.549 HG12 HD22 ' A' ' 83' ' ' LEU . 66.0 mt -57.25 -43.14 81.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.323 176.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 6.1 t -67.49 -36.84 81.88 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.035 -177.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 90.7 m-20 -61.25 -54.26 46.32 Favored 'General case' 0 CA--C 1.518 -0.252 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.982 178.234 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.465 ' O ' HG23 ' A' ' 65' ' ' VAL . 38.9 mt -66.76 -43.62 89.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.191 -177.522 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.479 ' O ' HG23 ' A' ' 66' ' ' VAL . 46.6 t80 -57.18 -55.56 33.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.891 -176.723 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 23.2 m -59.14 -34.01 71.56 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.647 179.405 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -65.71 -42.02 95.52 Favored Glycine 0 N--CA 1.453 -0.221 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.909 178.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.672 HG12 HG11 ' A' ' 70' ' ' VAL . 79.3 t -73.03 -42.4 59.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-O 120.566 0.222 . . . . 0.0 111.191 -179.395 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.479 HG23 ' O ' ' A' ' 62' ' ' TYR . 85.1 t -59.77 -39.2 79.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 121.065 0.46 . . . . 0.0 110.854 -179.876 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -74.13 -2.12 23.2 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.537 179.444 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 14.5 t -94.16 -6.06 45.7 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.607 -179.575 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 92.92 26.62 16.09 Favored Glycine 0 CA--C 1.521 0.408 0 C-N-CA 120.601 -0.809 . . . . 0.0 112.943 176.737 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.672 HG11 HG12 ' A' ' 65' ' ' VAL . 9.9 p -80.82 160.77 3.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 N-CA-C 110.307 -0.257 . . . . 0.0 110.307 178.561 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 42.0 t -64.59 145.11 56.65 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 172.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 16.4 p -53.62 -63.13 1.25 Allowed 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 112.599 0.592 . . . . 0.0 112.599 -171.703 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -69.96 -24.92 63.42 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.945 0.402 . . . . 0.0 110.626 -176.186 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.499 ' OE1' ' HA ' ' A' ' 16' ' ' ALA . 44.5 tt0 -73.77 -23.78 59.77 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.04 0.448 . . . . 0.0 110.526 -179.226 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.65 -36.05 75.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.85 -0.613 . . . . 0.0 111.021 178.142 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.451 HD23 ' HB3' ' A' ' 118' ' ' TYR . 2.3 tm? -59.44 -47.18 86.47 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 178.071 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.721 ' O ' ' HG ' ' A' ' 81' ' ' LEU . 41.1 mm -63.7 -56.37 17.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.787 -179.263 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . 0.58 ' HB2' ' HB1' ' A' ' 26' ' ' ALA . 30.5 tp60 -53.8 -48.38 69.9 Favored 'General case' 0 N--CA 1.466 0.337 0 O-C-N 123.166 0.291 . . . . 0.0 111.032 179.294 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.47 -39.86 94.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.127 -179.011 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.552 ' O ' HD23 ' A' ' 84' ' ' LEU . 6.6 mt -69.18 -41.44 77.17 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.936 178.092 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.782 ' HB3' HD11 ' A' ' 30' ' ' LEU . 84.4 mt -60.98 -40.23 92.64 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.055 0.455 . . . . 0.0 110.438 179.234 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.461 ' OE1' ' HD2' ' A' ' 38' ' ' ARG . 44.3 mt-10 -67.85 -35.35 78.41 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.611 174.554 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.549 HD22 HG12 ' A' ' 58' ' ' ILE . 54.0 tp -67.73 -44.39 77.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.022 0.439 . . . . 0.0 110.764 178.66 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.697 HD21 HD21 ' B' ' 84' ' ' LEU . 4.2 mm? -63.15 -11.71 22.43 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.419 -179.005 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.417 ' OG ' HD13 ' B' ' 108' ' ' LEU . 41.4 m -94.13 -31.7 14.06 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.843 0.354 . . . . 0.0 110.912 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.434 ' HB2' HG13 ' A' ' 39' ' ' VAL . . . -70.29 -43.15 70.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.232 0.539 . . . . 0.0 110.724 -176.702 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.463 HD12 HG13 ' A' ' 88' ' ' VAL . 1.2 pp -81.59 -15.82 53.53 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.56 -0.745 . . . . 0.0 112.889 -172.439 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.463 HG13 HD12 ' A' ' 87' ' ' LEU . 18.1 m -94.56 -23.88 5.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 C-N-CA 120.478 -0.489 . . . . 0.0 110.636 175.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 73.7 t60 -65.44 -35.43 80.91 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.792 177.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 26.9 m -65.88 -27.9 42.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.697 -175.611 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.62 ' HA ' ' HB3' ' A' ' 94' ' ' ALA . 3.4 mm? -64.56 -23.05 67.14 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.214 -178.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 44.3 t -59.31 -30.43 68.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.002 0.429 . . . . 0.0 110.944 -179.82 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 9.5 t -121.42 9.9 10.41 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.458 0.647 . . . . 0.0 109.992 -178.509 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.62 ' HB3' ' HA ' ' A' ' 91' ' ' LEU . . . -104.94 93.04 4.5 Favored 'General case' 0 N--CA 1.447 -0.615 0 CA-C-N 115.833 -0.622 . . . . 0.0 110.377 -179.703 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 10.7 t -73.18 88.71 1.49 Allowed 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 178.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.639 HD13 ' HB1' ' B' ' 47' ' ' ALA . 19.6 tt -66.89 144.83 14.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 115.465 -0.789 . . . . 0.0 111.668 -177.829 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -88.22 -110.93 1.07 Allowed Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.072 178.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -125.46 111.81 15.53 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.931 0.396 . . . . 0.0 110.851 -179.747 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.51 HG11 ' HA ' ' B' ' 90' ' ' VAL . 4.2 m -94.29 136.35 25.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.996 179.502 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 20.7 m -91.47 147.63 22.89 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 115.901 -0.59 . . . . 0.0 109.878 179.108 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 13.5 m -86.52 7.62 25.33 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.227 0.537 . . . . 0.0 110.563 -179.411 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 5.8 p -109.82 123.5 65.76 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.659 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.91 -178.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 116.02 -11.56 17.57 Favored Glycine 0 N--CA 1.448 -0.512 0 CA-C-N 115.635 -0.711 . . . . 0.0 112.158 179.414 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 61.7 t -58.51 -32.24 45.29 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-O 120.666 0.27 . . . . 0.0 110.658 178.729 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -46.69 -42.03 15.89 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.261 178.114 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 46.8 m -73.54 -25.65 60.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.736 -0.666 . . . . 0.0 111.546 -177.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 14.3 m -72.53 -28.72 63.03 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.408 0.623 . . . . 0.0 109.766 179.001 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.506 HD11 HG21 ' B' ' 39' ' ' VAL . 4.3 mm? -65.1 -24.75 67.53 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.567 175.05 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . 0.446 HD22 ' N ' ' A' ' 109' ' ' ASN . 0.9 OUTLIER -74.17 -36.9 64.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.007 -179.003 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 10.7 p -83.55 -27.13 7.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.768 0.318 . . . . 0.0 111.639 -174.289 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.439 HG12 ' O ' ' A' ' 108' ' ' LEU . 8.8 p -67.27 -28.46 42.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 121.379 0.609 . . . . 0.0 110.238 178.859 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . 0.524 ' HG2' HG12 ' B' ' 27' ' ' VAL . 24.7 mt-30 -70.89 -20.59 62.49 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.843 179.5 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -83.32 -34.0 25.78 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.622 -173.474 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . 0.417 ' HB2' HD12 ' A' ' 58' ' ' ILE . 14.3 p -84.11 -46.89 11.47 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.277 -0.874 . . . . 0.0 112.034 -171.449 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.509 HG11 HD22 ' B' ' 81' ' ' LEU . 13.8 p -106.09 -14.11 9.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-O 121.121 0.486 . . . . 0.0 111.179 -174.785 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -63.86 -16.69 59.7 Favored Glycine 0 N--CA 1.452 -0.295 0 CA-C-N 115.885 -0.598 . . . . 0.0 112.726 -178.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -96.75 9.29 42.16 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.824 0.345 . . . . 0.0 110.837 178.726 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . 0.451 ' HB3' HD23 ' A' ' 76' ' ' LEU . 61.3 m-85 -119.98 -31.09 4.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.964 0.412 . . . . 0.0 110.24 176.877 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.443 HG21 HG21 ' B' ' 27' ' ' VAL . 30.9 m -85.99 -0.34 6.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.132 176.096 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.469 0 C-N-CA 120.914 -0.66 . . . . 0.0 111.876 179.056 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.249 0 N-CA-C 111.943 -0.463 . . . . 0.0 111.943 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' -4' ' ' SER . . . . . . . . . . . . . 30.2 p -149.76 168.84 22.53 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.655 0.264 . . . . 0.0 110.564 -178.577 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' -3' ' ' GLY . . . . . . . . . . . . . . . 153.51 -163.31 30.68 Favored Glycine 0 N--CA 1.446 -0.655 0 N-CA-C 111.465 -0.654 . . . . 0.0 111.465 -179.728 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' -2' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -89.5 79.34 6.93 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.377 0.608 . . . . 0.0 110.124 178.812 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' -1' ' ' SER . . . . . . . . . . . . . 13.7 m -79.0 99.85 7.05 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.417 -0.81 . . . . 0.0 110.11 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 60.5 t -112.86 116.49 52.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.448 -179.568 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 17.0 p -81.77 93.63 6.86 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.182 179.17 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 12.9 m -66.83 131.9 46.89 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.884 178.839 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . 128.1 -54.47 0.78 Allowed Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 120.416 -0.897 . . . . 0.0 113.156 175.704 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . 91.8 -47.95 2.76 Favored Glycine 0 N--CA 1.453 -0.203 0 N-CA-C 110.852 -0.899 . . . . 0.0 110.852 -174.031 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 6' ' ' TYR . . . . . . . . . . . . . 34.4 p90 -67.37 133.45 49.63 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 171.851 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -168.29 168.63 41.02 Favored Glycine 0 N--CA 1.444 -0.802 0 N-CA-C 110.062 -1.215 . . . . 0.0 110.062 178.05 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 45.2 m-85 48.63 -89.64 0.02 OUTLIER 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 123.128 0.571 . . . . 0.0 111.258 -175.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -105.33 88.76 0.59 Allowed Glycine 0 N--CA 1.442 -0.957 0 N-CA-C 110.246 -1.142 . . . . 0.0 110.246 172.578 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 75.9 p -71.0 3.82 3.09 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 112.333 0.494 . . . . 0.0 112.333 -173.532 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 46.2 m -154.07 -172.44 4.22 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 -176.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -77.9 13.18 1.45 Allowed 'General case' 0 CA--C 1.53 0.209 0 CA-C-O 121.136 0.493 . . . . 0.0 111.423 -179.511 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -70.54 -19.49 62.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.669 177.123 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -145.3 168.52 20.26 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.268 178.5 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 15' ' ' GLY . . . . . 0.515 ' O ' ' HA3' ' B' ' 25' ' ' GLY . . . -163.87 90.43 0.1 Allowed Glycine 0 N--CA 1.445 -0.701 0 C-N-CA 119.78 -1.2 . . . . 0.0 113.122 -179.026 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . 174.99 94.71 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 123.353 0.661 . . . . 0.0 109.406 173.729 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 54.69 54.1 35.08 Favored Glycine 0 N--CA 1.449 -0.44 0 N-CA-C 111.211 -0.755 . . . . 0.0 111.211 -172.525 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . 0.475 HG23 ' H ' ' B' ' 19' ' ' ALA . 0.5 OUTLIER -88.43 -67.8 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 N-CA-C 112.157 0.429 . . . . 0.0 112.157 -174.678 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 19' ' ' ALA . . . . . 0.475 ' H ' HG23 ' B' ' 18' ' ' VAL . . . -102.29 172.9 6.62 Favored 'General case' 0 C--N 1.316 -0.861 0 C-N-CA 120.997 -0.281 . . . . 0.0 110.327 -175.686 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.81 -46.14 90.16 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.825 0.345 . . . . 0.0 111.232 -178.302 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -135.6 37.96 1.85 Allowed Glycine 0 N--CA 1.448 -0.56 0 C-N-CA 120.604 -0.808 . . . . 0.0 111.98 -177.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 22' ' ' SER . . . . . 0.411 ' O ' HG23 ' B' ' 18' ' ' VAL . 8.3 m -155.01 129.67 9.23 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.609 -0.296 . . . . 0.0 110.532 179.804 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 23' ' ' TYR . . . . . 0.421 ' CE1' ' HA ' ' B' ' 74' ' ' GLU . 0.3 OUTLIER -148.57 117.45 6.71 Favored 'General case' 0 N--CA 1.446 -0.644 0 CA-C-N 116.123 -0.49 . . . . 0.0 109.693 -178.038 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -87.16 -15.34 38.65 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.574 -177.551 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . 0.515 ' HA3' ' O ' ' B' ' 15' ' ' GLY . . . -70.54 -18.8 75.83 Favored Glycine 0 CA--C 1.506 -0.486 0 C-N-CA 120.818 -0.706 . . . . 0.0 111.999 179.05 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 26' ' ' ALA . . . . . 0.748 ' HB1' ' HB2' ' B' ' 78' ' ' GLN . . . -88.33 6.37 37.48 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-O 121.294 0.569 . . . . 0.0 110.144 177.165 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . 0.531 HG13 HD13 ' B' ' 81' ' ' LEU . 2.6 t -114.95 -50.68 4.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.398 -179.522 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 11.3 p30 -72.08 -1.21 13.96 Favored 'General case' 0 N--CA 1.465 0.283 0 N-CA-C 112.25 0.463 . . . . 0.0 112.25 -175.271 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -104.33 8.55 35.95 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.517 -0.473 . . . . 0.0 110.2 174.689 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . 0.542 HD11 ' HB3' ' B' ' 81' ' ' LEU . 75.7 mt -72.13 -32.35 66.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.589 176.663 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 14.1 p -73.82 3.46 6.58 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.936 179.214 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 35.8 t -85.69 157.78 20.22 Favored 'General case' 0 N--CA 1.45 -0.464 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 175.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -58.97 -22.88 61.09 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.256 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -50.98 -55.68 16.13 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.131 -179.744 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 35' ' ' ALA . . . . . 0.43 ' O ' HG23 ' B' ' 39' ' ' VAL . . . -69.81 -49.16 55.4 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.247 -179.072 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.36 -13.51 13.53 Favored 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 112.248 0.462 . . . . 0.0 112.248 -177.632 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 50.8 m -89.98 -20.31 23.43 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.635 0.255 . . . . 0.0 111.454 175.731 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 61.0 mtm-85 -101.91 -51.95 3.29 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 -177.601 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . 0.506 HG21 HD11 ' A' ' 108' ' ' LEU . 59.2 t -53.1 -42.8 46.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 114.784 -1.098 . . . . 0.0 111.629 -178.866 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 4.5 m -72.27 -6.98 46.86 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.846 -176.618 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 21.4 t -99.3 -7.16 26.74 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.735 0.779 . . . . 0.0 109.183 176.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -100.14 -24.78 14.49 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.318 -0.856 . . . . 0.0 109.765 -176.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 43' ' ' ILE . . . . . 0.593 HG13 ' N ' ' B' ' 44' ' ' ALA . 6.2 pt -55.73 -40.51 61.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 114.898 -1.046 . . . . 0.0 111.76 -177.881 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . 0.593 ' N ' HG13 ' B' ' 43' ' ' ILE . . . -81.47 -11.0 59.37 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.193 0.521 . . . . 0.0 110.912 -176.069 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -89.86 -49.57 6.54 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.097 -178.603 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 56.2 mt -67.26 -36.11 75.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.556 -179.736 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . 0.639 ' HB1' HD13 ' A' ' 96' ' ' ILE . . . -64.84 -15.05 61.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.496 -178.678 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 25.4 t -108.98 -5.8 15.94 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.174 -177.356 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -126.78 -31.08 0.78 Allowed Glycine 0 CA--C 1.518 0.276 0 C-N-CA 120.274 -0.965 . . . . 0.0 113.444 -176.283 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 80.72 -78.27 1.9 Allowed Glycine 0 N--CA 1.446 -0.677 0 N-CA-C 111.307 -0.717 . . . . 0.0 111.307 -179.343 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -121.24 -19.09 7.19 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-O 121.245 0.545 . . . . 0.0 110.455 179.543 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 4.6 m -70.79 -18.86 62.74 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.87 -176.62 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -90.64 -16.15 29.16 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.971 -176.493 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 54' ' ' LEU . . . . . 0.45 HD11 HG11 ' A' ' 88' ' ' VAL . 55.5 mt -53.75 -58.09 14.68 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.984 -175.052 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 55' ' ' PRO . . . . . 0.432 ' HD2' ' N ' ' B' ' 54' ' ' LEU . 18.7 Cg_endo -60.59 -25.96 81.87 Favored 'Trans proline' 0 C--N 1.351 0.703 0 C-N-CA 122.095 1.863 . . . . 0.0 112.439 -176.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 18.6 m -87.1 -34.07 19.25 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.145 0.498 . . . . 0.0 111.107 -177.537 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 73.1 t -82.18 -41.08 17.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.43 -175.701 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 58' ' ' ILE . . . . . 0.537 HG12 HD22 ' B' ' 83' ' ' LEU . 85.4 mt -55.91 -40.5 62.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-O 121.1 0.476 . . . . 0.0 110.303 175.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 8.0 t -64.54 -43.15 94.89 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.245 -178.44 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -63.88 -47.6 80.02 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.596 -0.729 . . . . 0.0 111.482 -179.501 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 44.9 mt -67.27 -47.05 82.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.108 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 62' ' ' TYR . . . . . 0.496 ' O ' HG23 ' B' ' 66' ' ' VAL . 44.5 t80 -55.66 -52.28 64.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.567 -177.522 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 22.6 t -60.17 -33.9 72.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.017 0.437 . . . . 0.0 110.335 179.144 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -67.78 -38.81 89.88 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.971 -0.633 . . . . 0.0 112.14 179.732 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 65' ' ' VAL . . . . . 0.672 HG12 HG11 ' B' ' 70' ' ' VAL . 69.2 t -73.72 -41.67 54.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-O 120.958 0.409 . . . . 0.0 111.001 178.63 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 66' ' ' VAL . . . . . 0.496 HG23 ' O ' ' B' ' 62' ' ' TYR . 93.4 t -61.8 -35.79 69.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.99 -178.893 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.28 -12.18 59.44 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.727 177.197 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 68' ' ' SER . . . . . 0.456 ' HB3' ' O ' ' B' ' 65' ' ' VAL . 43.8 t -83.62 -8.98 59.19 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.856 -179.783 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 88.67 30.45 15.46 Favored Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.582 -0.818 . . . . 0.0 112.338 179.272 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.672 HG11 HG12 ' B' ' 65' ' ' VAL . 13.3 p -82.1 161.5 3.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 N-CA-C 109.998 -0.371 . . . . 0.0 109.998 179.099 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 36.4 t -68.29 154.16 42.31 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 175.611 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 5.7 p -57.11 -63.57 1.17 Allowed 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.421 0.526 . . . . 0.0 112.421 -172.855 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -72.13 -21.93 61.4 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.082 0.468 . . . . 0.0 110.514 -176.739 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 74' ' ' GLU . . . . . 0.421 ' HA ' ' CE1' ' B' ' 23' ' ' TYR . 42.5 tt0 -72.0 -30.19 64.98 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.378 178.878 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.97 -33.59 72.14 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.135 178.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 76' ' ' LEU . . . . . 0.441 HD23 ' HB3' ' B' ' 118' ' ' TYR . 2.0 tm? -58.06 -52.57 64.99 Favored 'General case' 0 C--N 1.332 -0.154 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 179.062 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 77' ' ' ILE . . . . . 0.699 ' O ' ' HG ' ' B' ' 81' ' ' LEU . 37.8 mm -60.94 -55.06 27.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.432 -0.803 . . . . 0.0 110.734 -178.833 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 78' ' ' GLN . . . . . 0.748 ' HB2' ' HB1' ' B' ' 26' ' ' ALA . 37.2 tp60 -54.06 -48.16 70.87 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.447 -179.357 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.05 -38.88 89.45 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.184 -178.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 80' ' ' LEU . . . . . 0.566 ' O ' HD23 ' B' ' 84' ' ' LEU . 5.3 mt -68.87 -42.83 76.49 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.908 -0.317 . . . . 0.0 111.198 179.843 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . 0.699 ' HG ' ' O ' ' B' ' 77' ' ' ILE . 59.5 mt -60.87 -35.03 75.54 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.13 0.49 . . . . 0.0 110.487 -179.619 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -66.96 -41.37 87.02 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.83 173.443 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 83' ' ' LEU . . . . . 0.537 HD22 HG12 ' B' ' 58' ' ' ILE . 49.2 tp -64.35 -42.03 96.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.0 0.429 . . . . 0.0 110.463 178.368 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 84' ' ' LEU . . . . . 0.697 HD21 HD21 ' A' ' 84' ' ' LEU . 4.3 mm? -63.01 -12.4 25.7 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.46 -179.781 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 85' ' ' SER . . . . . 0.407 ' OG ' HD13 ' A' ' 108' ' ' LEU . 39.2 m -95.15 -34.66 12.18 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.802 0.334 . . . . 0.0 110.678 179.595 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 86' ' ' ALA . . . . . 0.442 ' HB2' HG13 ' B' ' 39' ' ' VAL . . . -66.5 -43.55 85.0 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.239 0.542 . . . . 0.0 110.856 -176.264 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 87' ' ' LEU . . . . . 0.537 ' HG ' ' O ' ' B' ' 83' ' ' LEU . 1.2 pp -82.34 -17.45 45.65 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.553 -0.749 . . . . 0.0 112.838 -172.108 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 88' ' ' VAL . . . . . 0.455 HG13 HD12 ' B' ' 87' ' ' LEU . 16.9 m -91.58 -27.35 4.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 C-N-CA 120.213 -0.595 . . . . 0.0 110.874 177.218 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 89' ' ' HIS . . . . . . . . . . . . . 61.9 t60 -64.71 -37.69 88.45 Favored 'General case' 0 N--CA 1.455 -0.215 0 CA-C-O 120.855 0.36 . . . . 0.0 110.032 178.174 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 90' ' ' VAL . . . . . 0.51 ' HA ' HG11 ' A' ' 99' ' ' VAL . 31.7 m -65.2 -26.19 39.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.418 -175.844 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 91' ' ' LEU . . . . . 0.625 ' HA ' ' HB3' ' B' ' 94' ' ' ALA . 3.4 mm? -65.6 -21.52 66.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.194 -179.616 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 22.3 t -64.86 -25.99 68.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.967 0.413 . . . . 0.0 110.529 -179.658 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . 0.46 ' HB3' HG12 ' A' ' 99' ' ' VAL . 22.6 t -120.86 13.4 11.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.376 0.608 . . . . 0.0 110.05 178.576 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 94' ' ' ALA . . . . . 0.625 ' HB3' ' HA ' ' B' ' 91' ' ' LEU . . . -110.28 92.64 4.13 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.243 178.752 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 21.5 t -75.93 91.46 3.03 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.41 179.244 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 96' ' ' ILE . . . . . 0.692 HD13 ' HB1' ' A' ' 47' ' ' ALA . 20.5 tt -63.98 146.18 13.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.254 -0.885 . . . . 0.0 111.64 -177.258 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 97' ' ' GLY . . . . . . . . . . . . . . . -92.07 -110.4 1.78 Allowed Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 120.925 -0.655 . . . . 0.0 112.296 179.317 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 98' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -115.2 108.55 16.75 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.689 0.28 . . . . 0.0 111.035 -178.408 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 99' ' ' VAL . . . . . 0.521 ' CG1' HD11 ' B' ' 96' ' ' ILE . 2.7 m -104.03 128.62 57.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 120.908 0.385 . . . . 0.0 110.631 174.485 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 100' ' ' SER . . . . . . . . . . . . . 70.9 m -105.99 147.6 28.66 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.523 -179.779 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 101' ' ' SER . . . . . 0.4 ' HB3' ' HB2' ' A' ' 40' ' ' SER . 36.9 m -76.6 56.5 1.14 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.11 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 9.1 p -146.17 135.97 17.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 116.074 -0.512 . . . . 0.0 109.919 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . 92.46 -1.34 72.37 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 121.05 -0.595 . . . . 0.0 112.128 179.048 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 104' ' ' VAL . . . . . . . . . . . . . 29.1 t -63.46 -31.8 54.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.576 0.227 . . . . 0.0 110.566 179.527 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -49.44 -45.22 46.26 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.332 -179.117 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 54.1 m -70.21 -23.73 62.99 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.606 -178.342 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 13.2 m -72.49 -32.0 65.82 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.201 0.524 . . . . 0.0 109.616 177.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 108' ' ' LEU . . . . . 0.534 ' O ' ' HG3' ' B' ' 112' ' ' GLN . 4.3 mm? -63.87 -27.67 69.32 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.512 175.637 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 109' ' ' ASN . . . . . 0.456 ' N ' HD22 ' B' ' 109' ' ' ASN . 0.9 OUTLIER -72.09 -39.32 69.02 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.321 -178.036 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 110' ' ' VAL . . . . . . . . . . . . . 11.7 p -80.66 -31.57 12.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 C-N-CA 120.901 -0.32 . . . . 0.0 111.373 -174.094 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 111' ' ' VAL . . . . . 0.504 HG12 ' O ' ' B' ' 108' ' ' LEU . 8.5 p -62.47 -31.24 51.21 Favored 'Isoleucine or valine' 0 C--O 1.235 0.293 0 CA-C-O 121.239 0.542 . . . . 0.0 110.258 -179.783 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 112' ' ' GLN . . . . . 0.534 ' HG3' ' O ' ' B' ' 108' ' ' LEU . 27.8 mt-30 -62.8 -30.59 71.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.434 -0.803 . . . . 0.0 111.142 -178.884 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 113' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -80.96 -32.75 34.31 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.383 -175.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 9.0 m -75.16 -40.15 59.8 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.192 -0.913 . . . . 0.0 112.125 -172.594 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 115' ' ' VAL . . . . . . . . . . . . . 8.1 p -116.01 -17.87 7.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-O 121.013 0.435 . . . . 0.0 111.592 -174.66 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 116' ' ' GLY . . . . . . . . . . . . . . . -60.91 -24.73 63.07 Favored Glycine 0 C--O 1.228 -0.253 0 C-N-CA 121.182 -0.533 . . . . 0.0 113.277 -177.635 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.84 9.12 28.7 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.816 0.341 . . . . 0.0 111.057 -179.493 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 118' ' ' TYR . . . . . 0.441 ' HB3' HD23 ' B' ' 76' ' ' LEU . 96.9 m-85 -117.31 -27.08 6.52 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.116 0.484 . . . . 0.0 109.93 177.779 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 119' ' ' VAL . . . . . 0.508 ' O ' ' HB3' ' A' ' 22' ' ' SER . 34.6 m -87.05 1.25 6.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.026 172.685 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.019 0 CA-C-N 115.086 -0.961 . . . . 0.0 110.953 177.25 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.81 0 N-CA-C 112.207 -0.357 . . . . 0.0 112.207 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 20.3 m -139.9 160.4 39.99 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 110.007 -0.368 . . . . 0.0 110.007 178.533 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . -86.56 103.77 2.85 Favored Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 120.832 -0.699 . . . . 0.0 111.697 178.276 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' -2' ' ' ASN . . . . . . . . . . . . . 84.1 m-20 -65.05 -66.29 0.56 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.029 0.442 . . . . 0.0 110.736 -176.839 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 39.1 m -124.84 87.84 2.78 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.064 0.459 . . . . 0.0 110.606 179.46 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 30.7 m -94.06 -168.18 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.113 177.5 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.588 ' OG1' ' HB ' ' B' ' 1' ' ' VAL . 6.2 p -74.57 152.22 39.33 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.929 0.395 . . . . 0.0 111.076 178.664 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.5 m -92.93 85.14 5.06 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.732 -175.404 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -86.47 139.53 16.68 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.87 -0.681 . . . . 0.0 111.796 174.682 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -131.76 -92.5 0.56 Allowed Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.541 -0.838 . . . . 0.0 112.966 -177.346 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.5 ' HA ' ' O ' ' A' ' 9' ' ' GLY . 41.8 p90 -56.31 139.1 49.4 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.051 0.453 . . . . 0.0 110.185 179.808 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.495 ' H ' ' HB ' ' A' ' 10' ' ' THR . . . 109.82 -50.13 0.8 Allowed Glycine 0 N--CA 1.448 -0.559 0 N-CA-C 110.297 -1.121 . . . . 0.0 110.297 -172.88 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 95.4 m-85 -86.03 -28.46 24.13 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 108.685 -0.857 . . . . 0.0 108.685 171.446 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.5 ' O ' ' HA ' ' A' ' 6' ' ' TYR . . . -154.61 116.57 0.74 Allowed Glycine 0 N--CA 1.448 -0.547 0 N-CA-C 109.82 -1.312 . . . . 0.0 109.82 171.75 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.495 ' HB ' ' H ' ' A' ' 7' ' ' GLY . 9.0 t -156.93 -24.21 0.09 Allowed 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 113.319 0.859 . . . . 0.0 113.319 -171.475 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 60.4 m -160.85 -43.34 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.298 0 N-CA-C 112.222 0.453 . . . . 0.0 112.222 -172.4 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -168.64 43.9 0.04 OUTLIER 'General case' 0 C--O 1.232 0.18 0 CA-C-O 120.789 0.328 . . . . 0.0 111.032 -175.858 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -92.95 -161.84 0.88 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.973 0.416 . . . . 0.0 111.62 -178.078 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -84.2 178.11 7.93 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.916 -178.178 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.427 ' HA3' ' N ' ' A' ' 25' ' ' GLY . . . -154.21 97.26 0.17 Allowed Glycine 0 N--CA 1.447 -0.619 0 C-N-CA 119.761 -1.209 . . . . 0.0 114.173 -176.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 173.94 87.24 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 123.628 0.771 . . . . 0.0 109.086 172.45 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 58.18 47.43 89.39 Favored Glycine 0 CA--C 1.519 0.307 0 C-N-CA 120.531 -0.842 . . . . 0.0 111.745 -171.003 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 2.4 m -90.56 -36.16 8.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 N-CA-C 112.58 0.585 . . . . 0.0 112.58 -174.223 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -136.03 -177.59 4.77 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 120.761 0.315 . . . . 0.0 111.033 -177.576 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -96.06 43.18 1.08 Allowed 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.097 0.475 . . . . 0.0 110.154 178.73 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.705 ' HA3' ' N ' ' B' ' 21' ' ' GLY . . . 160.74 -36.94 0.43 Allowed Glycine 0 N--CA 1.445 -0.726 0 CA-C-N 115.781 -0.645 . . . . 0.0 112.528 -178.766 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.415 ' HB3' ' O ' ' B' ' 119' ' ' VAL . 25.1 m -98.81 128.87 45.15 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-O 120.629 0.252 . . . . 0.0 111.426 179.504 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.427 ' OH ' ' HB3' ' A' ' 73' ' ' ASN . 0.3 OUTLIER -152.03 122.19 7.17 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 174.943 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -76.27 -22.64 54.85 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-O 121.274 0.559 . . . . 0.0 110.649 176.472 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.427 ' N ' ' HA3' ' A' ' 15' ' ' GLY . . . -67.3 -27.45 73.51 Favored Glycine 0 N--CA 1.449 -0.453 0 CA-C-N 115.893 -0.594 . . . . 0.0 112.176 -178.655 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -74.88 -0.17 17.62 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.333 0.587 . . . . 0.0 109.991 177.427 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.516 HG22 ' CD1' ' A' ' 81' ' ' LEU . 3.2 t -109.31 -45.32 6.59 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.645 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.439 178.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.413 HD22 ' HA2' ' A' ' 25' ' ' GLY . 42.3 m-80 -64.05 -34.29 77.69 Favored 'General case' 0 N--CA 1.465 0.285 0 C-N-CA 120.718 -0.393 . . . . 0.0 110.609 -178.835 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 30.1 ttp180 -63.22 -12.22 26.97 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.74 -179.277 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.662 ' HB3' HD12 ' B' ' 108' ' ' LEU . 85.3 mt -69.64 -26.02 64.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.429 -179.768 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 62.0 p -75.92 -7.02 53.58 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.144 0.497 . . . . 0.0 111.143 -176.567 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 39.1 t -81.88 166.89 19.53 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.017 179.223 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.27 -14.44 49.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.185 179.124 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -55.92 -63.08 1.29 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.869 178.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.453 ' O ' HG23 ' A' ' 39' ' ' VAL . . . -61.28 -51.69 67.84 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.615 -0.721 . . . . 0.0 111.46 -177.757 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.59 -13.32 20.89 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.949 0.404 . . . . 0.0 111.861 -177.289 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 34.3 t -89.8 -19.95 24.08 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.464 -0.334 . . . . 0.0 111.559 175.572 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.591 ' HD2' ' OE1' ' A' ' 82' ' ' GLU . 55.3 mtt180 -104.21 -54.14 2.6 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.551 -0.536 . . . . 0.0 109.551 -177.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.482 HG21 HD11 ' B' ' 108' ' ' LEU . 61.9 t -51.23 -43.51 28.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 114.834 -1.075 . . . . 0.0 111.704 -178.732 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.426 ' HB3' ' HB3' ' B' ' 101' ' ' SER . 2.8 m -72.53 -8.04 53.1 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.58 -175.841 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 28.4 t -95.0 -12.97 25.71 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.884 0.85 . . . . 0.0 109.17 174.807 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.463 ' HB3' HG11 ' A' ' 57' ' ' VAL . 12.2 m120 -98.96 -26.55 14.22 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.033 -0.985 . . . . 0.0 110.162 -174.31 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.602 HG13 ' N ' ' A' ' 44' ' ' ALA . 8.9 pt -55.38 -41.58 62.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.309 -0.859 . . . . 0.0 111.285 179.272 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.602 ' N ' HG13 ' A' ' 43' ' ' ILE . . . -80.43 -3.18 48.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.058 0.456 . . . . 0.0 110.841 -176.384 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -100.95 -52.43 3.29 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.394 178.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.467 ' HA ' ' CB ' ' A' ' 53' ' ' ALA . 45.1 mt -64.47 -34.09 67.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.712 -178.797 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.562 ' HB1' HD13 ' B' ' 96' ' ' ILE . . . -63.78 -17.91 63.54 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.733 -179.345 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 32.7 t -98.88 -29.08 13.15 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.192 -176.562 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -105.78 -27.6 5.66 Favored Glycine 0 CA--C 1.518 0.241 0 C-N-CA 120.4 -0.905 . . . . 0.0 113.155 -176.768 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 75.02 -78.84 1.04 Allowed Glycine 0 N--CA 1.447 -0.622 0 N-CA-C 111.315 -0.714 . . . . 0.0 111.315 -177.7 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -110.59 -29.19 8.14 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-O 121.358 0.599 . . . . 0.0 110.226 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 13.9 m -72.21 -11.71 60.85 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.788 -177.6 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.467 ' CB ' ' HA ' ' A' ' 46' ' ' ILE . . . -94.47 -13.72 25.89 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.776 -178.761 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.423 ' HB2' ' HD3' ' A' ' 55' ' ' PRO . 49.7 mt -55.64 -57.82 19.04 Favored Pre-proline 0 CA--C 1.534 0.36 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.696 -178.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.423 ' HD3' ' HB2' ' A' ' 54' ' ' LEU . 36.9 Cg_endo -66.45 -24.25 49.7 Favored 'Trans proline' 0 C--N 1.352 0.749 0 C-N-CA 121.884 1.723 . . . . 0.0 112.342 -179.301 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.9 m -77.74 -31.29 52.04 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.071 0.462 . . . . 0.0 110.74 -179.659 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.463 HG11 ' HB3' ' A' ' 42' ' ' ASN . 68.9 t -96.73 -43.16 12.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.609 -174.105 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.433 HG12 ' HG ' ' A' ' 83' ' ' LEU . 47.2 mt -56.89 -42.08 77.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.699 0.285 . . . . 0.0 110.862 -179.808 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 70.4 m -70.61 -15.24 62.73 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.051 0.453 . . . . 0.0 111.103 -178.403 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 74.7 m-20 -82.54 -49.36 9.97 Favored 'General case' 0 CA--C 1.516 -0.333 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.528 173.542 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.472 ' O ' HG23 ' A' ' 65' ' ' VAL . 34.2 mt -67.47 -46.79 82.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.907 -178.674 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.518 ' O ' HG23 ' A' ' 66' ' ' VAL . 49.4 t80 -54.9 -56.31 20.96 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.686 -177.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 26.0 t -61.47 -29.8 70.2 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.501 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -65.12 -44.68 93.74 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.871 -0.681 . . . . 0.0 111.638 178.195 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.735 HG12 HG11 ' A' ' 70' ' ' VAL . 24.4 t -71.76 -40.2 69.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-O 120.911 0.386 . . . . 0.0 110.548 178.865 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.518 HG23 ' O ' ' A' ' 62' ' ' TYR . 89.6 t -63.96 -31.7 54.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.702 178.673 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -68.32 -12.92 61.82 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.433 -0.348 . . . . 0.0 111.301 176.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 21.9 t -81.87 -14.88 55.61 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.034 0.445 . . . . 0.0 109.858 176.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 90.57 36.36 6.95 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.943 -0.646 . . . . 0.0 112.355 179.125 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.735 HG11 HG12 ' A' ' 65' ' ' VAL . 13.9 p -94.05 163.84 2.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 C-N-CA 122.14 0.176 . . . . 0.0 110.736 -179.521 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.433 ' N ' HG22 ' A' ' 70' ' ' VAL . 40.0 t -65.84 146.54 54.62 Favored 'General case' 0 C--O 1.233 0.21 0 N-CA-C 110.205 -0.294 . . . . 0.0 110.205 175.605 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 13.7 m -55.08 -46.94 75.49 Favored 'General case' 0 CA--C 1.534 0.361 0 N-CA-C 112.433 0.531 . . . . 0.0 112.433 -174.57 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.427 ' HB3' ' OH ' ' A' ' 23' ' ' TYR . 0.2 OUTLIER -76.35 -33.76 58.96 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.747 -0.381 . . . . 0.0 110.74 -174.253 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -69.85 -32.62 71.11 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 178.289 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.563 ' HB2' HG13 ' A' ' 70' ' ' VAL . . . -62.55 -38.84 91.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.671 176.255 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.514 HD23 ' HB3' ' A' ' 118' ' ' TYR . 2.8 tm? -56.45 -53.76 53.63 Favored 'General case' 0 CA--C 1.518 -0.281 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.758 177.729 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.66 ' O ' ' HG ' ' A' ' 81' ' ' LEU . 40.5 mm -61.11 -54.57 33.53 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.013 -178.722 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 33.6 tp60 -52.77 -50.08 64.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.012 179.374 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.64 -40.17 94.98 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.12 -177.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.603 ' O ' HD23 ' A' ' 84' ' ' LEU . 2.3 mm? -63.42 -40.0 96.0 Favored 'General case' 0 C--O 1.22 -0.47 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.977 178.024 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.686 HD22 HG11 ' B' ' 115' ' ' VAL . 25.2 mt -73.32 -33.39 65.11 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 120.816 0.341 . . . . 0.0 111.055 -176.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.591 ' OE1' ' HD2' ' A' ' 38' ' ' ARG . 43.3 mt-10 -68.43 -26.67 65.64 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.493 0.664 . . . . 0.0 110.508 171.115 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.433 ' HG ' HG12 ' A' ' 58' ' ' ILE . 3.4 tm? -76.87 -41.83 42.37 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.649 177.279 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.603 HD23 ' O ' ' A' ' 80' ' ' LEU . 4.0 mm? -70.72 -7.14 42.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.767 -0.651 . . . . 0.0 112.194 -177.648 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -99.62 -30.89 11.86 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 120.989 0.423 . . . . 0.0 110.649 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.506 ' O ' HG13 ' A' ' 90' ' ' VAL . . . -65.26 -46.78 79.15 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.779 -179.049 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.481 ' O ' HG22 ' A' ' 90' ' ' VAL . 1.2 pp -78.52 -13.79 59.66 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 113.275 0.843 . . . . 0.0 113.275 -172.196 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.452 HG11 HD11 ' B' ' 54' ' ' LEU . 15.7 m -94.91 -21.59 5.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 121.926 -0.484 . . . . 0.0 110.676 176.561 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . 0.431 ' CD2' HG22 ' B' ' 104' ' ' VAL . 65.1 t60 -73.8 -29.96 62.47 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 176.388 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.589 ' HA ' HG11 ' B' ' 99' ' ' VAL . 15.1 m -65.76 -27.79 42.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 C-N-CA 120.594 -0.442 . . . . 0.0 111.324 -177.197 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.621 ' HA ' ' HB3' ' A' ' 94' ' ' ALA . 3.7 mm? -65.99 -19.71 65.95 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.203 179.738 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 32.9 t -57.33 -30.06 64.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.284 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 8.9 t -131.96 16.24 4.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.445 0.641 . . . . 0.0 110.126 -179.805 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.621 ' HB3' ' HA ' ' A' ' 91' ' ' LEU . . . -101.38 95.56 6.58 Favored 'General case' 0 N--CA 1.446 -0.627 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.018 176.48 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 26.1 t -71.56 95.68 1.44 Allowed 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.903 -0.589 . . . . 0.0 109.764 179.055 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.799 HD13 ' HB1' ' B' ' 47' ' ' ALA . 15.1 tt -70.56 144.33 13.75 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.506 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.146 179.051 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -98.35 -90.69 1.96 Allowed Glycine 0 N--CA 1.448 -0.512 0 C-N-CA 120.921 -0.657 . . . . 0.0 112.673 -177.553 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -139.92 101.3 4.14 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.814 0.34 . . . . 0.0 111.127 -176.748 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.48 ' CG1' HD11 ' A' ' 96' ' ' ILE . 15.4 m -93.53 142.4 13.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.75 178.253 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 15.4 m -111.65 147.52 35.33 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.264 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 2.8 p -78.8 -0.87 32.21 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.937 0.399 . . . . 0.0 111.691 -178.689 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 44.9 t -97.61 114.38 34.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.473 -177.164 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 121.1 -6.41 10.96 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 121.01 -0.614 . . . . 0.0 112.477 179.081 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 42.9 t -61.82 -30.5 48.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 120.461 0.172 . . . . 0.0 110.901 179.58 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -48.72 -41.03 30.58 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.204 179.524 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 40.9 m -73.83 -27.37 61.06 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.849 -177.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 21.9 m -71.65 -30.96 66.31 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.984 0.421 . . . . 0.0 110.326 -178.062 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.538 ' O ' HG12 ' A' ' 111' ' ' VAL . 4.5 mm? -60.48 -29.87 69.34 Favored 'General case' 0 C--O 1.224 -0.249 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.688 176.397 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 16.2 m-80 -73.5 -19.86 60.82 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.336 -179.494 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 28.3 t -89.83 -36.25 8.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 120.938 0.399 . . . . 0.0 110.865 -176.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.538 HG12 ' O ' ' A' ' 108' ' ' LEU . 11.1 p -63.26 -26.99 42.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 121.43 0.633 . . . . 0.0 110.49 -179.785 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . 0.51 ' HG2' HG12 ' B' ' 27' ' ' VAL . 22.7 mt-30 -69.13 -21.72 64.0 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.972 179.783 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -81.53 -39.72 24.24 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.807 -176.332 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . 0.416 ' HB2' HD12 ' A' ' 58' ' ' ILE . 10.0 p -78.93 -39.32 35.03 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.418 -0.81 . . . . 0.0 112.318 -169.067 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 12.7 p -114.73 -18.97 7.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-O 120.822 0.344 . . . . 0.0 111.812 -173.861 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -61.45 -26.0 65.82 Favored Glycine 0 N--CA 1.453 -0.179 0 C-N-CA 120.874 -0.679 . . . . 0.0 112.648 -177.318 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.4 9.28 18.54 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.662 0.267 . . . . 0.0 111.43 -178.441 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . 0.514 ' HB3' HD23 ' A' ' 76' ' ' LEU . 75.7 m-85 -120.67 -31.3 4.29 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.746 0.308 . . . . 0.0 111.094 176.631 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 28.9 m -84.99 -1.64 6.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 0.0 112.079 -178.755 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.222 0 C-N-CA 120.449 -0.881 . . . . 0.0 112.481 178.992 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.386 0 N-CA-C 111.735 -0.546 . . . . 0.0 111.735 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' -4' ' ' SER . . . . . . . . . . . . . 23.3 m -140.96 87.58 2.11 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.999 0.428 . . . . 0.0 110.457 -179.781 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' -3' ' ' GLY . . . . . . . . . . . . . . . -108.59 94.23 0.84 Allowed Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 120.829 -0.701 . . . . 0.0 111.982 -179.552 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' -2' ' ' ASN . . . . . . . . . . . . . 29.2 p-10 -102.88 -12.29 17.65 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.946 0.403 . . . . 0.0 110.622 -179.138 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' -1' ' ' SER . . . . . . . . . . . . . 7.2 m -92.51 42.11 1.09 Allowed 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.385 0.612 . . . . 0.0 110.356 -178.732 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 1' ' ' VAL . . . . . 0.588 ' HB ' ' OG1' ' A' ' 2' ' ' THR . 25.6 m -90.3 -171.61 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.392 -175.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 22.7 p -95.45 -173.41 2.89 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.104 -177.844 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 15.9 p -132.63 124.54 28.51 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.753 0.311 . . . . 0.0 111.275 -176.76 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -133.07 -99.05 0.69 Allowed Glycine 0 N--CA 1.449 -0.5 0 C-N-CA 120.841 -0.695 . . . . 0.0 111.927 177.5 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . 170.45 -84.44 0.09 OUTLIER Glycine 0 N--CA 1.447 -0.605 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.128 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 6' ' ' TYR . . . . . . . . . . . . . 52.9 p90 -81.97 134.57 35.39 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.199 0.523 . . . . 0.0 110.648 -178.18 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . 175.19 -82.11 0.07 OUTLIER Glycine 0 N--CA 1.448 -0.509 0 N-CA-C 111.364 -0.695 . . . . 0.0 111.364 179.499 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 8' ' ' TYR . . . . . 0.445 ' HB2' ' O ' ' B' ' 18' ' ' VAL . 94.6 m-85 -79.5 -29.09 41.45 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 173.412 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -135.23 162.69 24.83 Favored Glycine 0 N--CA 1.44 -1.066 0 N-CA-C 110.032 -1.227 . . . . 0.0 110.032 175.422 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 3.1 t -176.11 -39.45 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.936 0.368 . . . . 0.0 110.558 -179.228 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 40.9 m -159.4 -66.98 0.08 Allowed 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 178.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -145.87 106.03 4.04 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.188 178.473 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -153.69 -70.9 0.14 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.405 -178.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -144.86 169.07 18.76 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.131 178.496 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 15' ' ' GLY . . . . . 0.489 ' HA3' ' HB3' ' B' ' 24' ' ' ALA . . . -151.38 82.75 0.17 Allowed Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 120.354 -0.927 . . . . 0.0 113.505 -179.89 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 16' ' ' ALA . . . . . 0.552 ' H ' HG13 ' B' ' 18' ' ' VAL . . . -164.96 88.06 0.45 Allowed 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 174.819 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 60.24 40.01 96.77 Favored Glycine 0 CA--C 1.52 0.381 0 C-N-CA 120.779 -0.724 . . . . 0.0 111.792 -173.515 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . 0.552 HG13 ' H ' ' B' ' 16' ' ' ALA . 3.4 m -83.77 -39.45 14.98 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.164 0 N-CA-C 112.304 0.483 . . . . 0.0 112.304 -174.154 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -134.87 -159.98 1.01 Allowed 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 110.183 -0.303 . . . . 0.0 110.183 -178.801 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -105.74 -36.07 7.17 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.292 0.568 . . . . 0.0 110.172 172.761 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . 0.705 ' N ' ' HA3' ' A' ' 21' ' ' GLY . . . -120.51 28.64 6.16 Favored Glycine 0 N--CA 1.446 -0.638 0 C-N-CA 120.585 -0.817 . . . . 0.0 111.554 -178.874 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 14.6 m -160.06 118.29 2.66 Favored 'General case' 0 N--CA 1.443 -0.815 0 CA-C-O 120.608 0.242 . . . . 0.0 111.432 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 23' ' ' TYR . . . . . 0.578 ' CE1' ' HA ' ' B' ' 74' ' ' GLU . 0.2 OUTLIER -150.89 128.95 11.8 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 171.032 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . 0.489 ' HB3' ' HA3' ' B' ' 15' ' ' GLY . . . -76.82 -32.82 57.86 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 120.799 0.333 . . . . 0.0 111.148 179.7 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . 0.402 ' HA2' HD22 ' B' ' 28' ' ' ASN . . . -59.32 -30.48 67.84 Favored Glycine 0 N--CA 1.453 -0.217 0 C-N-CA 121.386 -0.435 . . . . 0.0 112.809 -179.458 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -72.17 -15.32 61.96 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.585 0.707 . . . . 0.0 110.013 179.162 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . 0.51 HG12 ' HG2' ' A' ' 112' ' ' GLN . 3.9 t -94.19 -40.01 11.05 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 CA-C-N 115.571 -0.741 . . . . 0.0 110.626 -177.759 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 28' ' ' ASN . . . . . 0.402 HD22 ' HA2' ' B' ' 25' ' ' GLY . 57.9 m-80 -64.27 -28.47 69.75 Favored 'General case' 0 N--CA 1.465 0.3 0 N-CA-C 111.846 0.313 . . . . 0.0 111.846 -176.8 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 14.2 ptt180 -89.0 14.78 9.79 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.994 0.426 . . . . 0.0 111.145 -175.761 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . 0.651 HD11 ' HB3' ' B' ' 81' ' ' LEU . 96.1 mt -80.07 -26.7 39.52 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.59 177.619 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 56.0 p -71.99 -6.36 41.63 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.369 0.604 . . . . 0.0 110.536 179.793 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 67.9 m -76.96 153.01 35.01 Favored 'General case' 0 N--CA 1.441 -0.919 0 CA-C-N 115.569 -0.741 . . . . 0.0 111.052 179.84 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.09 -20.43 53.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.28 179.419 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -51.6 -58.29 6.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.446 176.608 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 35' ' ' ALA . . . . . 0.57 ' O ' HG23 ' B' ' 39' ' ' VAL . . . -63.88 -52.19 61.09 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.436 -0.802 . . . . 0.0 111.096 -178.521 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -57.79 -22.26 46.33 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 112.014 0.376 . . . . 0.0 112.014 -175.786 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 24.1 t -86.48 -12.41 49.02 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 111.752 0.278 . . . . 0.0 111.752 179.138 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 38' ' ' ARG . . . . . 0.56 ' HD2' ' OE1' ' B' ' 82' ' ' GLU . 59.9 mtt180 -104.21 -52.61 2.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.592 0.711 . . . . 0.0 109.112 178.689 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . 0.57 HG23 ' O ' ' B' ' 35' ' ' ALA . 39.6 t -55.27 -37.89 45.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 114.139 -1.391 . . . . 0.0 111.814 -176.421 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 40' ' ' SER . . . . . 0.425 ' O ' HG12 ' B' ' 43' ' ' ILE . 63.9 p -71.75 -11.58 60.89 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.917 0.389 . . . . 0.0 111.773 -177.834 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 12.8 t -94.67 -14.71 24.6 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.595 0.712 . . . . 0.0 109.335 178.012 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 11.3 m120 -93.44 -25.58 17.58 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.186 -0.915 . . . . 0.0 109.926 -174.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 43' ' ' ILE . . . . . 0.58 HG13 ' N ' ' B' ' 44' ' ' ALA . 4.9 pt -56.99 -37.34 54.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 114.978 -1.01 . . . . 0.0 111.108 -179.697 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . 0.58 ' N ' HG13 ' B' ' 43' ' ' ILE . . . -82.19 -2.49 52.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.614 -175.759 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -102.13 -51.12 3.46 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.962 0.411 . . . . 0.0 110.636 178.794 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 46' ' ' ILE . . . . . 0.471 ' HA ' ' CB ' ' B' ' 53' ' ' ALA . 38.1 mt -66.27 -32.68 59.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.615 -178.258 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . 0.799 ' HB1' HD13 ' A' ' 96' ' ' ILE . . . -60.22 -26.48 66.44 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.224 179.322 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 73.8 m -98.39 -42.27 7.43 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.923 -176.606 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -87.11 -22.12 46.53 Favored Glycine 0 CA--C 1.518 0.239 0 C-N-CA 120.568 -0.825 . . . . 0.0 113.198 -175.576 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 72.88 -78.2 0.77 Allowed Glycine 0 N--CA 1.448 -0.508 0 N-CA-C 111.968 -0.453 . . . . 0.0 111.968 179.839 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -117.28 -30.07 5.7 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-O 121.053 0.454 . . . . 0.0 110.592 -178.788 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 39.7 m -73.57 -7.33 51.45 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.315 0.579 . . . . 0.0 110.428 -179.342 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . 0.471 ' CB ' ' HA ' ' B' ' 46' ' ' ILE . . . -84.12 -25.25 29.84 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.381 179.049 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 54' ' ' LEU . . . . . 0.501 ' O ' HG13 ' B' ' 58' ' ' ILE . 52.3 mt -52.44 -58.52 11.42 Favored Pre-proline 0 CA--C 1.535 0.395 0 CA-C-N 115.882 -0.599 . . . . 0.0 112.223 -176.504 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 55' ' ' PRO . . . . . 0.428 ' HD3' ' HB2' ' B' ' 54' ' ' LEU . 36.2 Cg_endo -66.24 -13.58 40.5 Favored 'Trans proline' 0 C--N 1.352 0.714 0 C-N-CA 121.988 1.792 . . . . 0.0 112.573 -176.766 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 16.1 m -96.02 -18.25 20.36 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.798 -179.129 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . 0.402 HG23 ' O ' ' B' ' 53' ' ' ALA . 68.9 t -104.61 -40.52 6.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.36 -175.463 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 58' ' ' ILE . . . . . 0.603 HG12 HD22 ' B' ' 83' ' ' LEU . 43.6 mt -56.27 -43.81 77.79 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.227 0 CA-C-O 120.857 0.36 . . . . 0.0 110.822 -179.07 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 22.5 t -67.5 -29.03 68.34 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.681 -177.325 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 63.9 m-20 -69.14 -49.57 55.74 Favored 'General case' 0 CA--C 1.517 -0.313 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.727 178.343 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 33.8 mt -67.59 -43.76 86.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.803 179.37 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 62' ' ' TYR . . . . . 0.478 ' O ' HG23 ' B' ' 66' ' ' VAL . 39.5 t80 -54.4 -56.44 18.65 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.715 -178.679 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 14.1 t -61.46 -30.87 70.87 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.495 -179.111 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -62.5 -44.9 96.93 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 121.199 -0.524 . . . . 0.0 111.991 178.751 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 65' ' ' VAL . . . . . 0.626 HG11 ' HG2' ' B' ' 78' ' ' GLN . 21.1 t -75.98 -39.76 37.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 120.834 0.35 . . . . 0.0 110.928 -179.345 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 66' ' ' VAL . . . . . 0.478 HG23 ' O ' ' B' ' 62' ' ' TYR . 84.5 t -58.4 -40.43 78.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.923 0.392 . . . . 0.0 110.823 179.509 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -69.64 -11.18 60.64 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.651 179.557 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 15.3 t -84.05 -22.15 31.34 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.729 0.299 . . . . 0.0 110.47 -179.359 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 105.9 31.91 4.01 Favored Glycine 0 C--N 1.33 0.206 0 C-N-CA 120.636 -0.792 . . . . 0.0 112.595 -179.227 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.519 HG11 HG12 ' B' ' 65' ' ' VAL . 11.6 p -85.46 160.36 3.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 178.139 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 46.9 t -64.89 142.84 58.3 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 174.04 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 3.7 m -51.39 -51.72 52.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 112.171 -174.436 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -80.14 -23.81 40.89 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.93 0.395 . . . . 0.0 110.555 -174.578 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 74' ' ' GLU . . . . . 0.578 ' HA ' ' CE1' ' B' ' 23' ' ' TYR . 38.4 tt0 -72.79 -27.17 61.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.222 179.034 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.63 -36.68 81.47 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.387 179.527 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -58.9 -48.98 79.51 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.795 0.331 . . . . 0.0 110.266 179.338 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 77' ' ' ILE . . . . . 0.727 ' O ' ' HG ' ' B' ' 81' ' ' LEU . 32.9 mm -63.06 -55.42 23.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.872 -179.397 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 78' ' ' GLN . . . . . 0.626 ' HG2' HG11 ' B' ' 65' ' ' VAL . 28.5 tp60 -53.88 -50.11 67.05 Favored 'General case' 0 C--N 1.33 -0.267 0 O-C-N 123.326 0.391 . . . . 0.0 111.313 179.536 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.28 -36.78 83.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.135 -178.226 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 80' ' ' LEU . . . . . 0.591 ' O ' HD23 ' B' ' 84' ' ' LEU . 6.8 mt -69.75 -42.41 73.93 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.864 -0.334 . . . . 0.0 110.831 177.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . 0.727 ' HG ' ' O ' ' B' ' 77' ' ' ILE . 61.0 mt -57.29 -43.21 82.97 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.19 0.519 . . . . 0.0 110.433 178.647 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 82' ' ' GLU . . . . . 0.56 ' OE1' ' HD2' ' B' ' 38' ' ' ARG . 43.4 mt-10 -65.77 -38.25 88.54 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.717 176.649 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 83' ' ' LEU . . . . . 0.603 HD22 HG12 ' B' ' 58' ' ' ILE . 38.9 tp -64.21 -43.13 95.97 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.184 0.516 . . . . 0.0 110.573 178.587 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 84' ' ' LEU . . . . . 0.591 HD23 ' O ' ' B' ' 80' ' ' LEU . 4.2 mm? -65.78 -8.02 19.15 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.355 -0.839 . . . . 0.0 111.707 -178.211 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 85' ' ' SER . . . . . 0.429 ' OG ' HD13 ' A' ' 108' ' ' LEU . 20.5 m -97.91 -27.36 14.31 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 120.819 0.343 . . . . 0.0 110.871 179.136 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 86' ' ' ALA . . . . . 0.443 ' HB2' HG13 ' B' ' 39' ' ' VAL . . . -74.71 -45.31 45.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.406 0.622 . . . . 0.0 110.669 -177.088 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 87' ' ' LEU . . . . . 0.48 HD12 ' N ' ' B' ' 88' ' ' VAL . 1.1 pp -78.15 -18.86 55.04 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.402 -0.817 . . . . 0.0 112.687 -172.634 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 88' ' ' VAL . . . . . 0.48 ' N ' HD12 ' B' ' 87' ' ' LEU . 17.0 m -89.62 -26.63 5.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 C-N-CA 120.383 -0.527 . . . . 0.0 110.73 177.586 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 89' ' ' HIS . . . . . . . . . . . . . 45.6 t60 -67.72 -35.43 78.77 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.051 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 90' ' ' VAL . . . . . 0.467 ' HA ' HG11 ' A' ' 99' ' ' VAL . 27.5 m -66.44 -26.01 36.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.591 -175.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 91' ' ' LEU . . . . . 0.631 ' HA ' ' HB3' ' B' ' 94' ' ' ALA . 3.3 mm? -66.28 -22.57 66.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.673 -0.239 . . . . 0.0 110.934 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 31.2 t -57.7 -31.78 66.72 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.412 179.295 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 10.4 t -123.51 19.84 9.58 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-O 121.593 0.711 . . . . 0.0 109.889 -179.602 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 94' ' ' ALA . . . . . 0.631 ' HB3' ' HA ' ' B' ' 91' ' ' LEU . . . -110.53 94.81 5.19 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.096 176.433 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 22.7 t -76.47 94.02 3.62 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.223 0.535 . . . . 0.0 109.868 -179.199 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 96' ' ' ILE . . . . . 0.562 HD13 ' HB1' ' A' ' 47' ' ' ALA . 12.8 tt -72.28 149.86 8.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.124 177.868 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 97' ' ' GLY . . . . . . . . . . . . . . . -84.53 -86.82 0.89 Allowed Glycine 0 N--CA 1.451 -0.339 0 N-CA-C 110.651 -0.979 . . . . 0.0 110.651 172.736 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 98' ' ' ASN . . . . . . . . . . . . . 57.7 t30 -153.3 149.87 28.34 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 108.814 -0.81 . . . . 0.0 108.814 169.766 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 99' ' ' VAL . . . . . 0.589 HG11 ' HA ' ' A' ' 90' ' ' VAL . 3.6 m -127.12 120.45 55.41 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.834 0 CA-C-O 121.168 0.508 . . . . 0.0 110.602 178.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 100' ' ' SER . . . . . . . . . . . . . 48.5 m -84.51 156.22 21.79 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.679 -0.692 . . . . 0.0 110.927 -177.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 101' ' ' SER . . . . . 0.426 ' HB3' ' HB3' ' A' ' 40' ' ' SER . 16.9 m -77.83 38.39 0.26 Allowed 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.686 -176.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 56.8 t -124.66 120.44 58.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.13 -176.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . 106.84 -9.84 40.6 Favored Glycine 0 N--CA 1.447 -0.575 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.559 178.443 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 104' ' ' VAL . . . . . 0.431 HG22 ' CD2' ' A' ' 89' ' ' HIS . 21.9 t -63.26 -31.99 54.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 120.631 0.253 . . . . 0.0 110.392 179.856 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -48.46 -45.15 36.24 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.54 179.745 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 12.8 m -74.73 -23.74 58.61 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.198 -0.91 . . . . 0.0 111.616 -177.775 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 25.1 m -75.57 -31.89 60.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.024 0.44 . . . . 0.0 109.944 -178.089 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 108' ' ' LEU . . . . . 0.662 HD12 ' HB3' ' A' ' 30' ' ' LEU . 3.9 mm? -57.34 -38.06 73.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.516 175.388 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 109' ' ' ASN . . . . . . . . . . . . . 20.0 m-80 -66.29 -24.32 66.53 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.199 -178.727 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 110' ' ' VAL . . . . . . . . . . . . . 29.0 t -81.79 -42.56 19.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.953 0.406 . . . . 0.0 110.587 -178.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 111' ' ' VAL . . . . . 0.6 HG12 ' O ' ' B' ' 108' ' ' LEU . 9.8 p -62.71 -28.37 44.76 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.269 0 CA-C-O 121.296 0.57 . . . . 0.0 110.387 -177.87 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 112' ' ' GLN . . . . . 0.565 ' HG3' ' O ' ' B' ' 108' ' ' LEU . 26.2 mt-30 -66.4 -29.39 69.54 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.991 179.883 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 113' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -73.25 -34.89 66.1 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.479 -175.07 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 5.9 m -82.63 -35.89 26.57 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.412 -0.813 . . . . 0.0 112.184 -170.358 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 115' ' ' VAL . . . . . 0.686 HG11 HD22 ' A' ' 81' ' ' LEU . 12.5 p -108.66 -23.22 4.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 C-N-CA 120.917 -0.313 . . . . 0.0 111.783 -172.138 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 116' ' ' GLY . . . . . . . . . . . . . . . -59.2 -25.56 60.23 Favored Glycine 0 C--N 1.332 0.361 0 C-N-CA 121.383 -0.437 . . . . 0.0 113.163 -175.528 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.16 2.25 44.44 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 112.041 0.385 . . . . 0.0 112.041 -177.784 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 118' ' ' TYR . . . . . . . . . . . . . 71.6 m-85 -117.55 -30.52 5.48 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.721 0.296 . . . . 0.0 110.989 177.23 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 119' ' ' VAL . . . . . 0.42 HG21 HG21 ' A' ' 27' ' ' VAL . 29.6 m -85.77 -2.3 7.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.318 179.605 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.255 1.467 0 N-CA-C 109.983 -1.247 . . . . 0.0 109.983 177.029 . . . . . . . . 0 0 . 1 stop_ save_